smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000430201505 835028827 /nfs/dbraw/zinc/02/88/27/835028827.db2.gz KBLMTLBOEGTEQZ-UHFFFAOYSA-N 2 1 384.480 3.737 20 5 GHBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377992068 838259740 /nfs/dbraw/zinc/25/97/40/838259740.db2.gz BZCYMMPPRGIGHG-SFHVURJKSA-N 2 1 388.556 3.784 20 5 GHBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377992068 838259744 /nfs/dbraw/zinc/25/97/44/838259744.db2.gz BZCYMMPPRGIGHG-SFHVURJKSA-N 3 1 388.556 3.784 20 5 GHBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377992068 838259749 /nfs/dbraw/zinc/25/97/49/838259749.db2.gz BZCYMMPPRGIGHG-SFHVURJKSA-N 3 1 388.556 3.784 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)o2)c([N+](=O)[O-])c1 ZINC000424379773 850417969 /nfs/dbraw/zinc/41/79/69/850417969.db2.gz PBSKCIZQGMJMRU-OAHLLOKOSA-N 2 1 385.464 3.827 20 5 GHBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372852 850420958 /nfs/dbraw/zinc/42/09/58/850420958.db2.gz LENVGPAWTJHCLN-NEPJUHHUSA-N 2 1 394.269 3.786 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011247 /nfs/dbraw/zinc/01/12/47/856011247.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 2 1 385.464 3.920 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011263 /nfs/dbraw/zinc/01/12/63/856011263.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 2 1 385.464 3.920 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011284 /nfs/dbraw/zinc/01/12/84/856011284.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 2 1 385.464 3.920 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)c([N+](=O)[O-])c1 ZINC000573287923 856011286 /nfs/dbraw/zinc/01/12/86/856011286.db2.gz BPPTYVBRDSBOER-XYPWUTKMSA-N 2 1 385.464 3.920 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000594735708 858268827 /nfs/dbraw/zinc/26/88/27/858268827.db2.gz NIMLPKAEJWIELW-KRWDZBQOSA-N 2 1 386.521 3.930 20 5 GHBDMP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000611303342 859687086 /nfs/dbraw/zinc/68/70/86/859687086.db2.gz ULMOGOPJSYJPJC-UHFFFAOYSA-N 2 1 398.507 3.997 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797969 870628759 /nfs/dbraw/zinc/62/87/59/870628759.db2.gz HEGNRWAJVSLJBN-JJXUHFIVSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797969 870628763 /nfs/dbraw/zinc/62/87/63/870628763.db2.gz HEGNRWAJVSLJBN-JJXUHFIVSA-N 2 1 385.464 3.538 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556873148 886435771 /nfs/dbraw/zinc/43/57/71/886435771.db2.gz UVJPAFMVPDOYIE-FQEVSTJZSA-N 2 1 385.512 3.664 20 5 GHBDMP O=[N+]([O-])c1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000774837559 913700211 /nfs/dbraw/zinc/70/02/11/913700211.db2.gz ZIPFKPSZBZHBNR-UHFFFAOYSA-N 2 1 376.457 3.591 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876932469 893392542 /nfs/dbraw/zinc/39/25/42/893392542.db2.gz MXLMCKYAQOYQAL-PBPGXSGUSA-N 2 1 383.496 3.517 20 5 GHBDMP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676724 897331447 /nfs/dbraw/zinc/33/14/47/897331447.db2.gz OSSVCEGZGLKDRT-GOTSBHOMSA-N 2 1 394.519 3.551 20 5 GHBDMP C[NH2+]CC1CC[NH+]([C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000567893072 897474508 /nfs/dbraw/zinc/47/45/08/897474508.db2.gz PLYBDICKIRQELX-OAQYLSRUSA-N 2 1 396.491 3.514 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519640 918039894 /nfs/dbraw/zinc/03/98/94/918039894.db2.gz ADGASMHHUTWMLZ-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519640 918039898 /nfs/dbraw/zinc/03/98/98/918039898.db2.gz ADGASMHHUTWMLZ-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001191519640 918039913 /nfs/dbraw/zinc/03/99/13/918039913.db2.gz ADGASMHHUTWMLZ-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519640 918039928 /nfs/dbraw/zinc/03/99/28/918039928.db2.gz ADGASMHHUTWMLZ-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000468597606 1015833680 /nfs/dbraw/zinc/83/36/80/1015833680.db2.gz DTADXDVGZJAGNL-KELOHDTKSA-N 2 1 395.503 3.745 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246913470 1037721713 /nfs/dbraw/zinc/72/17/13/1037721713.db2.gz JNGJZGLIOLSOHQ-KRWDZBQOSA-N 2 1 383.492 3.789 20 5 GHBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254549731 1040317682 /nfs/dbraw/zinc/31/76/82/1040317682.db2.gz YFKYHAHTEICTDC-GOSISDBHSA-N 2 1 397.519 3.831 20 5 GHBDMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531767 838362845 /nfs/dbraw/zinc/36/28/45/838362845.db2.gz LQFPDNIWBHPQCX-XLIONFOSSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531767 838362856 /nfs/dbraw/zinc/36/28/56/838362856.db2.gz LQFPDNIWBHPQCX-XLIONFOSSA-N 2 1 385.512 3.519 20 5 GHBDMP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415042583 839109146 /nfs/dbraw/zinc/10/91/46/839109146.db2.gz QRMNARHINHDQIU-KRWDZBQOSA-N 2 1 391.855 3.509 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)n2)cc1 ZINC000052713887 845194612 /nfs/dbraw/zinc/19/46/12/845194612.db2.gz ROKQQUKTIDLJLK-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP CN(c1ccccc1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000583170507 849250071 /nfs/dbraw/zinc/25/00/71/849250071.db2.gz BJPCFAMCCUWAES-UHFFFAOYSA-N 2 1 396.535 3.800 20 5 GHBDMP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414829110 850827533 /nfs/dbraw/zinc/82/75/33/850827533.db2.gz ANOAISDJCGZIGL-NSHDSACASA-N 2 1 382.258 3.562 20 5 GHBDMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532188283 881364576 /nfs/dbraw/zinc/36/45/76/881364576.db2.gz ZFSYTNCIPWCUSR-RBUKOAKNSA-N 2 1 388.537 3.686 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555378316 860538004 /nfs/dbraw/zinc/53/80/04/860538004.db2.gz LNNYJGRUKAPEGZ-INIZCTEOSA-N 2 1 389.418 3.546 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555378316 860538008 /nfs/dbraw/zinc/53/80/08/860538008.db2.gz LNNYJGRUKAPEGZ-INIZCTEOSA-N 2 1 389.418 3.546 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183143276 866267998 /nfs/dbraw/zinc/26/79/98/866267998.db2.gz VVTPQYLINZNQMF-OAHLLOKOSA-N 2 1 393.447 3.687 20 5 GHBDMP CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861774 869910824 /nfs/dbraw/zinc/91/08/24/869910824.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861774 869910833 /nfs/dbraw/zinc/91/08/33/869910833.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861774 869910839 /nfs/dbraw/zinc/91/08/39/869910839.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861774 869910847 /nfs/dbraw/zinc/91/08/47/869910847.db2.gz CDTHHHXBECRLDE-FQEVSTJZSA-N 2 1 383.492 3.947 20 5 GHBDMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195489 870148504 /nfs/dbraw/zinc/14/85/04/870148504.db2.gz FEWWRCFGJRDCAV-LPHOPBHVSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195489 870148513 /nfs/dbraw/zinc/14/85/13/870148513.db2.gz FEWWRCFGJRDCAV-LPHOPBHVSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195695 870149877 /nfs/dbraw/zinc/14/98/77/870149877.db2.gz YYINTSOXQQJTKT-VQIMIIECSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195695 870149885 /nfs/dbraw/zinc/14/98/85/870149885.db2.gz YYINTSOXQQJTKT-VQIMIIECSA-N 2 1 399.491 3.755 20 5 GHBDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021989 871122268 /nfs/dbraw/zinc/12/22/68/871122268.db2.gz MBBJRYCPHMFYMG-RISVGRPXSA-N 2 1 377.554 3.726 20 5 GHBDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021989 871122285 /nfs/dbraw/zinc/12/22/85/871122285.db2.gz MBBJRYCPHMFYMG-RISVGRPXSA-N 2 1 377.554 3.726 20 5 GHBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054855 871135849 /nfs/dbraw/zinc/13/58/49/871135849.db2.gz NWCHZMPBOLFTIH-CRAIPNDOSA-N 2 1 385.430 3.705 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000540988351 872682740 /nfs/dbraw/zinc/68/27/40/872682740.db2.gz KILNUELEASIVDD-DYESRHJHSA-N 2 1 383.492 3.711 20 5 GHBDMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819544 877589035 /nfs/dbraw/zinc/58/90/35/877589035.db2.gz SIOJSYGVEGWIPI-YLJYHZDGSA-N 2 1 383.492 3.994 20 5 GHBDMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819544 877589051 /nfs/dbraw/zinc/58/90/51/877589051.db2.gz SIOJSYGVEGWIPI-YLJYHZDGSA-N 2 1 383.492 3.994 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585899 878236323 /nfs/dbraw/zinc/23/63/23/878236323.db2.gz CSGYDZBEAAKOEL-DYESRHJHSA-N 2 1 375.513 3.605 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296671 881317386 /nfs/dbraw/zinc/31/73/86/881317386.db2.gz HMWATFKTFJGKCH-HKUYNNGSSA-N 2 1 383.492 3.646 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 ZINC000532446535 885493460 /nfs/dbraw/zinc/49/34/60/885493460.db2.gz FQNADNJFNTTYQU-LJQANCHMSA-N 2 1 396.535 3.892 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876932548 893392851 /nfs/dbraw/zinc/39/28/51/893392851.db2.gz PBNZASUMJSASLM-DZIBYMRMSA-N 2 1 383.496 3.659 20 5 GHBDMP O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000878295645 894172618 /nfs/dbraw/zinc/17/26/18/894172618.db2.gz DTYIYLCIBMPKEA-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819100977 896375114 /nfs/dbraw/zinc/37/51/14/896375114.db2.gz YCJTWJDKKXIAMD-QFIPXVFZSA-N 2 1 395.459 3.643 20 5 GHBDMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000819190180 896460091 /nfs/dbraw/zinc/46/00/91/896460091.db2.gz MQHAVGLAZSGKOK-ZWCUEREDSA-N 2 1 383.492 3.519 20 5 GHBDMP C[NH2+]CC1CC[NH+]([C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000567893071 897474310 /nfs/dbraw/zinc/47/43/10/897474310.db2.gz PLYBDICKIRQELX-NRFANRHFSA-N 2 1 396.491 3.514 20 5 GHBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC12CCOCC2 ZINC000570682728 899504222 /nfs/dbraw/zinc/50/42/22/899504222.db2.gz NJEKTCGUMPOKTP-HNNXBMFYSA-N 2 1 387.505 3.511 20 5 GHBDMP CCCC[N@@H+](C)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011463 906088939 /nfs/dbraw/zinc/08/89/39/906088939.db2.gz DMCWNNOYIMEETK-UHFFFAOYSA-N 2 1 384.471 3.553 20 5 GHBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001173225371 906306678 /nfs/dbraw/zinc/30/66/78/906306678.db2.gz JODACEJFHHFPFY-IBGZPJMESA-N 2 1 394.519 3.909 20 5 GHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000179392764 906491877 /nfs/dbraw/zinc/49/18/77/906491877.db2.gz XSEXFBCDAKBSKG-UHFFFAOYSA-N 2 1 395.463 3.870 20 5 GHBDMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182268634 907174121 /nfs/dbraw/zinc/17/41/21/907174121.db2.gz CPDKOLPGKHKOKJ-VXKWHMMOSA-N 2 1 383.492 3.792 20 5 GHBDMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000182268653 907174318 /nfs/dbraw/zinc/17/43/18/907174318.db2.gz CPDKOLPGKHKOKJ-FCHUYYIVSA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781424791 930840109 /nfs/dbraw/zinc/84/01/09/930840109.db2.gz DFORYHOVZJSMGB-ZWKOTPCHSA-N 2 1 386.540 3.806 20 5 GHBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165202894 1026664586 /nfs/dbraw/zinc/66/45/86/1026664586.db2.gz QDWNOSZEYJCJBD-KNJKRIMISA-N 2 1 395.507 3.621 20 5 GHBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202894 1026664592 /nfs/dbraw/zinc/66/45/92/1026664592.db2.gz QDWNOSZEYJCJBD-KNJKRIMISA-N 2 1 395.507 3.621 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127001 1029817922 /nfs/dbraw/zinc/81/79/22/1029817922.db2.gz NVOORRHTPRWNJW-CABCVRRESA-N 2 1 382.302 3.569 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1[NH2+]C[C@H]2[C@@H]1C2(C)C ZINC001219209828 1031306046 /nfs/dbraw/zinc/30/60/46/1031306046.db2.gz ASSVNXQBGUXDPW-HSQYWUDLSA-N 2 1 388.515 3.945 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936758 1037743059 /nfs/dbraw/zinc/74/30/59/1037743059.db2.gz JNIKNDPZRPLXAV-IRXDYDNUSA-N 2 1 375.513 3.779 20 5 GHBDMP Cc1cc(F)ccc1C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246963044 1037784624 /nfs/dbraw/zinc/78/46/24/1037784624.db2.gz WOKLDKIJXUWQJC-QFIPXVFZSA-N 2 1 383.467 3.764 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001254577882 1040353951 /nfs/dbraw/zinc/35/39/51/1040353951.db2.gz HHRCLWZIAJXCJU-MYGLTJDJSA-N 2 1 377.488 3.847 20 5 GHBDMP C[N@H+](Cc1cccc(O)c1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308558529 1050008374 /nfs/dbraw/zinc/00/83/74/1050008374.db2.gz RIAVNTNLMMWKGH-UHFFFAOYSA-N 2 1 383.492 3.687 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]2C1 ZINC001343333160 1053710057 /nfs/dbraw/zinc/71/00/57/1053710057.db2.gz NJODLJMBEHIFEH-IJLUTSLNSA-N 2 1 388.331 3.581 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]2C1 ZINC001343333160 1053710064 /nfs/dbraw/zinc/71/00/64/1053710064.db2.gz NJODLJMBEHIFEH-IJLUTSLNSA-N 2 1 388.331 3.581 20 5 GHBDMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415052087 839121201 /nfs/dbraw/zinc/12/12/01/839121201.db2.gz HFMBEPBDKJEIOY-FQEVSTJZSA-N 2 1 387.480 3.645 20 5 GHBDMP Cc1cc(NCc2ccccc2C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302199798 861235278 /nfs/dbraw/zinc/23/52/78/861235278.db2.gz UTZZJHYPHWPDMT-UHFFFAOYSA-N 2 1 392.459 3.896 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000432659781 843368975 /nfs/dbraw/zinc/36/89/75/843368975.db2.gz QRDISVQDOXARKO-IBGZPJMESA-N 2 1 387.505 3.679 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000432659782 843369061 /nfs/dbraw/zinc/36/90/61/843369061.db2.gz QRDISVQDOXARKO-LJQANCHMSA-N 2 1 387.505 3.679 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424366069 850407709 /nfs/dbraw/zinc/40/77/09/850407709.db2.gz IIOVSIWXSQNEIZ-RTBURBONSA-N 2 1 385.464 3.542 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000435368806 850434152 /nfs/dbraw/zinc/43/41/52/850434152.db2.gz CDVDVIVOXLBHMF-IERDGZPVSA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000435368806 850434161 /nfs/dbraw/zinc/43/41/61/850434161.db2.gz CDVDVIVOXLBHMF-IERDGZPVSA-N 2 1 391.475 3.617 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489143243 852045024 /nfs/dbraw/zinc/04/50/24/852045024.db2.gz XVLXWPWNNDMAEM-KSZLIROESA-N 2 1 375.513 3.785 20 5 GHBDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151353757 852980415 /nfs/dbraw/zinc/98/04/15/852980415.db2.gz MUZQLWPTLKSKDJ-HNNXBMFYSA-N 2 1 389.521 3.821 20 5 GHBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388424 856113287 /nfs/dbraw/zinc/11/32/87/856113287.db2.gz TZRXEWYWLSNCKG-HNNXBMFYSA-N 2 1 385.468 3.514 20 5 GHBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124243 858572995 /nfs/dbraw/zinc/57/29/95/858572995.db2.gz YBZSLAHFXVKXNN-DYESRHJHSA-N 2 1 396.491 3.644 20 5 GHBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595908659 858715457 /nfs/dbraw/zinc/71/54/57/858715457.db2.gz OLFYAKNRTWENTQ-OAHLLOKOSA-N 2 1 383.496 3.726 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000593314721 859380079 /nfs/dbraw/zinc/38/00/79/859380079.db2.gz GKWHSECLDRJTPJ-ZOCZFRKYSA-N 2 1 385.464 3.573 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878284 881765687 /nfs/dbraw/zinc/76/56/87/881765687.db2.gz UKERFLCFQRIZFI-BEFAXECRSA-N 2 1 384.436 3.503 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447543802 871813899 /nfs/dbraw/zinc/81/38/99/871813899.db2.gz MLLUDHDGFBPZKT-HCXYKTFWSA-N 2 1 377.533 3.623 20 5 GHBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564555 871870960 /nfs/dbraw/zinc/87/09/60/871870960.db2.gz XTQIOBSFGDUTEZ-UXHICEINSA-N 2 1 385.512 3.905 20 5 GHBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564556 871871451 /nfs/dbraw/zinc/87/14/51/871871451.db2.gz XTQIOBSFGDUTEZ-VQTJNVASSA-N 2 1 385.512 3.905 20 5 GHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768106094 873084025 /nfs/dbraw/zinc/08/40/25/873084025.db2.gz RHVUEKSKTMZSLJ-SJLPKXTDSA-N 2 1 393.553 3.699 20 5 GHBDMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000449153163 874541513 /nfs/dbraw/zinc/54/15/13/874541513.db2.gz IOEHQJVABZBXPT-KRWDZBQOSA-N 2 1 375.513 3.539 20 5 GHBDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449499520 874960653 /nfs/dbraw/zinc/96/06/53/874960653.db2.gz MFPYBMNDXQAIAP-GOSISDBHSA-N 2 1 377.448 3.864 20 5 GHBDMP O=[N+]([O-])c1ccccc1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868309 875726517 /nfs/dbraw/zinc/72/65/17/875726517.db2.gz SJUZFEWSMBNFLL-OAQYLSRUSA-N 2 1 395.503 3.613 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868309 875726526 /nfs/dbraw/zinc/72/65/26/875726526.db2.gz SJUZFEWSMBNFLL-OAQYLSRUSA-N 2 1 395.503 3.613 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868309 875726532 /nfs/dbraw/zinc/72/65/32/875726532.db2.gz SJUZFEWSMBNFLL-OAQYLSRUSA-N 2 1 395.503 3.613 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276554 876150457 /nfs/dbraw/zinc/15/04/57/876150457.db2.gz KNXOLIXRYBPBRX-HTAPYJJXSA-N 2 1 383.492 3.792 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000531965825 880832414 /nfs/dbraw/zinc/83/24/14/880832414.db2.gz GEXNSNZBDCWHQS-AVRDEDQJSA-N 2 1 382.508 3.543 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504916 887603343 /nfs/dbraw/zinc/60/33/43/887603343.db2.gz HYNGRZIZTBBQRQ-PXNSSMCTSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504916 887603351 /nfs/dbraw/zinc/60/33/51/887603351.db2.gz HYNGRZIZTBBQRQ-PXNSSMCTSA-N 2 1 385.512 3.662 20 5 GHBDMP CCc1ccc([C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873293946 891563320 /nfs/dbraw/zinc/56/33/20/891563320.db2.gz RSEVWCIRFHNHRQ-CTNGQTDRSA-N 2 1 399.491 3.588 20 5 GHBDMP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676726 897330989 /nfs/dbraw/zinc/33/09/89/897330989.db2.gz OSSVCEGZGLKDRT-XZOQPEGZSA-N 2 1 394.519 3.551 20 5 GHBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2c1 ZINC000570718707 899531025 /nfs/dbraw/zinc/53/10/25/899531025.db2.gz DVDDUHKAFJUCLV-UHFFFAOYSA-N 2 1 392.503 3.915 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906663 905933368 /nfs/dbraw/zinc/93/33/68/905933368.db2.gz XUOGTISWWGYANW-ZCNNSNEGSA-N 2 1 397.544 3.968 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906663 905933379 /nfs/dbraw/zinc/93/33/79/905933379.db2.gz XUOGTISWWGYANW-ZCNNSNEGSA-N 2 1 397.544 3.968 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906663 905933389 /nfs/dbraw/zinc/93/33/89/905933389.db2.gz XUOGTISWWGYANW-ZCNNSNEGSA-N 2 1 397.544 3.968 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906663 905933401 /nfs/dbraw/zinc/93/34/01/905933401.db2.gz XUOGTISWWGYANW-ZCNNSNEGSA-N 2 1 397.544 3.968 20 5 GHBDMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001178698277 909195672 /nfs/dbraw/zinc/19/56/72/909195672.db2.gz YZXVTVDIZXKSJJ-IBGZPJMESA-N 2 1 386.455 3.988 20 5 GHBDMP C[N@H+]1CCCC[C@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001178698277 909195682 /nfs/dbraw/zinc/19/56/82/909195682.db2.gz YZXVTVDIZXKSJJ-IBGZPJMESA-N 2 1 386.455 3.988 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903254561 922884330 /nfs/dbraw/zinc/88/43/30/922884330.db2.gz SWNMKKSARUPKBT-AATLZSDMSA-N 2 1 397.523 3.804 20 5 GHBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559326569 932602241 /nfs/dbraw/zinc/60/22/41/932602241.db2.gz OLMYCQHLPHUPNB-NRFANRHFSA-N 2 1 395.503 3.613 20 5 GHBDMP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934743 932823526 /nfs/dbraw/zinc/82/35/26/932823526.db2.gz HZSMDZNYJXSVQZ-KCZVDYSFSA-N 2 1 397.523 3.777 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126271 1029816511 /nfs/dbraw/zinc/81/65/11/1029816511.db2.gz HLQIPQPQHMQLTE-KGLIPLIRSA-N 2 1 382.302 3.569 20 5 GHBDMP COc1ccc(C[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)cc1 ZINC001246968711 1037791332 /nfs/dbraw/zinc/79/13/32/1037791332.db2.gz XDHALPYZBKTCIX-KRWDZBQOSA-N 2 1 383.492 3.789 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608259 1040379789 /nfs/dbraw/zinc/37/97/89/1040379789.db2.gz QBBHISUANQEGOE-UNWVZKJWSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608259 1040379800 /nfs/dbraw/zinc/37/98/00/1040379800.db2.gz QBBHISUANQEGOE-UNWVZKJWSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608259 1040379823 /nfs/dbraw/zinc/37/98/23/1040379823.db2.gz QBBHISUANQEGOE-UNWVZKJWSA-N 2 1 377.488 3.516 20 5 GHBDMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180452914 837268284 /nfs/dbraw/zinc/26/82/84/837268284.db2.gz UDHXUIOYHJUTIA-QHCPKHFHSA-N 2 1 396.535 3.547 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)o2)c(Br)c1 ZINC000414827405 838876116 /nfs/dbraw/zinc/87/61/16/838876116.db2.gz KPXHVDYADLTKHA-GFCCVEGCSA-N 2 1 394.269 3.707 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428921 853069753 /nfs/dbraw/zinc/06/97/53/853069753.db2.gz QNHCDHQLVXNAPT-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594738625 858270413 /nfs/dbraw/zinc/27/04/13/858270413.db2.gz IPCHBDBYNUKERV-UHFFFAOYSA-N 2 1 385.464 3.544 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC001170321325 881355691 /nfs/dbraw/zinc/35/56/91/881355691.db2.gz ACHQAFXOIYAWPZ-HNNXBMFYSA-N 2 1 387.455 3.624 20 5 GHBDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000597248305 859392604 /nfs/dbraw/zinc/39/26/04/859392604.db2.gz PTVKXEKGUOMIMP-INIZCTEOSA-N 2 1 389.521 3.866 20 5 GHBDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000597248305 859392615 /nfs/dbraw/zinc/39/26/15/859392615.db2.gz PTVKXEKGUOMIMP-INIZCTEOSA-N 2 1 389.521 3.866 20 5 GHBDMP COc1ccc(-c2ccc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825433 /nfs/dbraw/zinc/82/54/33/859825433.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCN(C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825440 /nfs/dbraw/zinc/82/54/40/859825440.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCCN(C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825450 /nfs/dbraw/zinc/82/54/50/859825450.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825463 /nfs/dbraw/zinc/82/54/63/859825463.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825477 /nfs/dbraw/zinc/82/54/77/859825477.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825482 /nfs/dbraw/zinc/82/54/82/859825482.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110819 859825492 /nfs/dbraw/zinc/82/54/92/859825492.db2.gz BSUKRCKDNFTAIQ-NRFANRHFSA-N 2 1 385.464 3.781 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447554183 871843747 /nfs/dbraw/zinc/84/37/47/871843747.db2.gz ZGALIIACANFJQE-VQTJNVASSA-N 2 1 385.512 3.905 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000776276911 876146501 /nfs/dbraw/zinc/14/65/01/876146501.db2.gz LRYDQGKGTQHSKT-JTSKRJEESA-N 2 1 383.492 3.650 20 5 GHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872529 912506034 /nfs/dbraw/zinc/50/60/34/912506034.db2.gz IGIDIJQEQVPYSV-NDXORKPFSA-N 2 1 375.513 3.699 20 5 GHBDMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153322974 887653006 /nfs/dbraw/zinc/65/30/06/887653006.db2.gz RYYWDYXAZGXSRK-BBWFWOEESA-N 2 1 379.501 3.534 20 5 GHBDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910623 906018327 /nfs/dbraw/zinc/01/83/27/906018327.db2.gz ZNRKAWMHTBOYTJ-LJQANCHMSA-N 2 1 380.492 3.785 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])c1F ZINC001173181506 906261938 /nfs/dbraw/zinc/26/19/38/906261938.db2.gz FDCIDBGQDLDMTM-HZPDHXFCSA-N 2 1 389.471 3.771 20 5 GHBDMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)nc(C)[nH+]1 ZINC000192934431 908024334 /nfs/dbraw/zinc/02/43/34/908024334.db2.gz UDKFEOZFSLXVMQ-FQEVSTJZSA-N 2 1 381.480 3.638 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519641 918040490 /nfs/dbraw/zinc/04/04/90/918040490.db2.gz ADGASMHHUTWMLZ-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519641 918040504 /nfs/dbraw/zinc/04/05/04/918040504.db2.gz ADGASMHHUTWMLZ-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001191519641 918040518 /nfs/dbraw/zinc/04/05/18/918040518.db2.gz ADGASMHHUTWMLZ-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519641 918040522 /nfs/dbraw/zinc/04/05/22/918040522.db2.gz ADGASMHHUTWMLZ-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198065 919386084 /nfs/dbraw/zinc/38/60/84/919386084.db2.gz MAWZKDLGEHCCSG-UHFFFAOYSA-N 2 1 397.523 3.925 20 5 GHBDMP CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198065 919386101 /nfs/dbraw/zinc/38/61/01/919386101.db2.gz MAWZKDLGEHCCSG-UHFFFAOYSA-N 2 1 397.523 3.925 20 5 GHBDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837608 929488052 /nfs/dbraw/zinc/48/80/52/929488052.db2.gz DMJCALWIZDFXML-AVRDEDQJSA-N 2 1 382.508 3.624 20 5 GHBDMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC001461831314 1069777638 /nfs/dbraw/zinc/77/76/38/1069777638.db2.gz PNLBIKDOXJDOID-VUCTXSBTSA-N 2 1 375.856 3.938 20 5 GHBDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC001461831314 1069777646 /nfs/dbraw/zinc/77/76/46/1069777646.db2.gz PNLBIKDOXJDOID-VUCTXSBTSA-N 2 1 375.856 3.938 20 5 GHBDMP C[NH+](C)/C=C/c1cc(Nc2ccc(C[NH3+])cc2C(F)(F)F)ncc1[N+](=O)[O-] ZINC001160423168 1034968515 /nfs/dbraw/zinc/96/85/15/1034968515.db2.gz HZZXXKWDHXSNGY-AATRIKPKSA-N 2 1 381.358 3.743 20 5 GHBDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001246643263 1037525667 /nfs/dbraw/zinc/52/56/67/1037525667.db2.gz XNDJKGHSMGOAAH-KRWDZBQOSA-N 2 1 395.503 3.671 20 5 GHBDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001246643263 1037525680 /nfs/dbraw/zinc/52/56/80/1037525680.db2.gz XNDJKGHSMGOAAH-KRWDZBQOSA-N 2 1 395.503 3.671 20 5 GHBDMP C[N@H+]1CCC[C@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CC1 ZINC001254514598 1040291195 /nfs/dbraw/zinc/29/11/95/1040291195.db2.gz MWUQTGVHHVFNCR-SFHVURJKSA-N 2 1 390.531 3.582 20 5 GHBDMP COc1ccccc1CC1([NH3+])CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254543298 1040311971 /nfs/dbraw/zinc/31/19/71/1040311971.db2.gz DVZGLOUUOFGREC-QGZVFWFLSA-N 2 1 383.492 3.570 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254588007 1040361465 /nfs/dbraw/zinc/36/14/65/1040361465.db2.gz UQHOJCZKZVBVBU-ONTIZHBOSA-N 2 1 383.467 3.973 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000510263216 837151297 /nfs/dbraw/zinc/15/12/97/837151297.db2.gz CPVCZUGGBHHCIC-UHFFFAOYSA-N 2 1 390.528 3.676 20 5 GHBDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797711 837838694 /nfs/dbraw/zinc/83/86/94/837838694.db2.gz QJLZIKPNZCCLTB-PGRDOPGGSA-N 2 1 382.508 3.624 20 5 GHBDMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435430914 850514382 /nfs/dbraw/zinc/51/43/82/850514382.db2.gz FXQJDFZEJNULJB-IBGZPJMESA-N 2 1 399.491 3.756 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433549 857440209 /nfs/dbraw/zinc/44/02/09/857440209.db2.gz APZXDVPHXISNHM-IRXDYDNUSA-N 2 1 386.521 3.930 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934636 857795212 /nfs/dbraw/zinc/79/52/12/857795212.db2.gz IAPHVSGBOIYVTA-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934636 857795217 /nfs/dbraw/zinc/79/52/17/857795217.db2.gz IAPHVSGBOIYVTA-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934636 857795224 /nfs/dbraw/zinc/79/52/24/857795224.db2.gz IAPHVSGBOIYVTA-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934636 857795228 /nfs/dbraw/zinc/79/52/28/857795228.db2.gz IAPHVSGBOIYVTA-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCC2 ZINC000595066104 858369078 /nfs/dbraw/zinc/36/90/78/858369078.db2.gz BYGIPOOQYQWPQF-GMAHTHKFSA-N 2 1 395.503 3.719 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000160359642 858843803 /nfs/dbraw/zinc/84/38/03/858843803.db2.gz XWWVRPTVRNCRDT-SFHVURJKSA-N 2 1 382.508 3.583 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170324138 881360527 /nfs/dbraw/zinc/36/05/27/881360527.db2.gz ORUIYBNNXCPZSM-QGZVFWFLSA-N 2 1 383.492 3.570 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881459964 /nfs/dbraw/zinc/45/99/64/881459964.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 2 1 395.503 3.598 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881460103 /nfs/dbraw/zinc/46/01/03/881460103.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 2 1 395.503 3.598 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881460206 /nfs/dbraw/zinc/46/02/06/881460206.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 2 1 395.503 3.598 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344555 881460211 /nfs/dbraw/zinc/46/02/11/881460211.db2.gz BXVUMZFHYYKKOU-UIFIKXQLSA-N 2 1 395.503 3.598 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593080 881565523 /nfs/dbraw/zinc/56/55/23/881565523.db2.gz ZIBRFOSCTRTZRQ-VQIMIIECSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593080 881565545 /nfs/dbraw/zinc/56/55/45/881565545.db2.gz ZIBRFOSCTRTZRQ-VQIMIIECSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593080 881565565 /nfs/dbraw/zinc/56/55/65/881565565.db2.gz ZIBRFOSCTRTZRQ-VQIMIIECSA-N 2 1 384.480 3.656 20 5 GHBDMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)nc2c1 ZINC000282022188 873722612 /nfs/dbraw/zinc/72/26/12/873722612.db2.gz KIRORIFSQWRJSQ-AWEZNQCLSA-N 2 1 381.436 3.648 20 5 GHBDMP O=[N+]([O-])c1ccc2oc(CN3CCC[C@H](c4ncc5n4CCCC5)C3)nc2c1 ZINC000282022188 873722615 /nfs/dbraw/zinc/72/26/15/873722615.db2.gz KIRORIFSQWRJSQ-AWEZNQCLSA-N 2 1 381.436 3.648 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000541951399 874620850 /nfs/dbraw/zinc/62/08/50/874620850.db2.gz CZOZJZJTYIARJK-OAHLLOKOSA-N 2 1 393.447 3.687 20 5 GHBDMP CCCC[N@@H+](C)CC1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638588 912583428 /nfs/dbraw/zinc/58/34/28/912583428.db2.gz SRACPLCRIDPVOF-UHFFFAOYSA-N 2 1 393.919 3.999 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638588 912583439 /nfs/dbraw/zinc/58/34/39/912583439.db2.gz SRACPLCRIDPVOF-UHFFFAOYSA-N 2 1 393.919 3.999 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638588 912583444 /nfs/dbraw/zinc/58/34/44/912583444.db2.gz SRACPLCRIDPVOF-UHFFFAOYSA-N 2 1 393.919 3.999 20 5 GHBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237463237 892065887 /nfs/dbraw/zinc/06/58/87/892065887.db2.gz UKSOOHAINPKYQD-QGZVFWFLSA-N 2 1 385.512 3.597 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906658 905931789 /nfs/dbraw/zinc/93/17/89/905931789.db2.gz XUOGTISWWGYANW-HSALFYBXSA-N 2 1 397.544 3.968 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906658 905931809 /nfs/dbraw/zinc/93/18/09/905931809.db2.gz XUOGTISWWGYANW-HSALFYBXSA-N 2 1 397.544 3.968 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906658 905931827 /nfs/dbraw/zinc/93/18/27/905931827.db2.gz XUOGTISWWGYANW-HSALFYBXSA-N 2 1 397.544 3.968 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3C[N@H+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906658 905931842 /nfs/dbraw/zinc/93/18/42/905931842.db2.gz XUOGTISWWGYANW-HSALFYBXSA-N 2 1 397.544 3.968 20 5 GHBDMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906495 905933843 /nfs/dbraw/zinc/93/38/43/905933843.db2.gz XKGZESXDNSFSNG-GOSISDBHSA-N 2 1 383.467 3.931 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001173181455 906261244 /nfs/dbraw/zinc/26/12/44/906261244.db2.gz WMEWNSBCNFSXAF-JYJNAYRXSA-N 2 1 381.492 3.901 20 5 GHBDMP C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781424789 930839925 /nfs/dbraw/zinc/83/99/25/930839925.db2.gz DFORYHOVZJSMGB-QZTJIDSGSA-N 2 1 386.540 3.806 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000781423399 930840429 /nfs/dbraw/zinc/84/04/29/930840429.db2.gz PSQXXILWLZKXGY-KZKAQZJJSA-N 2 1 395.503 3.519 20 5 GHBDMP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934744 932823600 /nfs/dbraw/zinc/82/36/00/932823600.db2.gz HZSMDZNYJXSVQZ-RZUBCFFCSA-N 2 1 397.523 3.777 20 5 GHBDMP Cc1ccc(C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246962426 1037782413 /nfs/dbraw/zinc/78/24/13/1037782413.db2.gz MWCPHORHGXZRQJ-OAQYLSRUSA-N 2 1 383.467 3.764 20 5 GHBDMP Cc1ccc(C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246962426 1037782431 /nfs/dbraw/zinc/78/24/31/1037782431.db2.gz MWCPHORHGXZRQJ-OAQYLSRUSA-N 2 1 383.467 3.764 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC001254611113 1040384478 /nfs/dbraw/zinc/38/44/78/1040384478.db2.gz VTQKSDHLIOXPEI-PQNGQFLHSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC001254611113 1040384498 /nfs/dbraw/zinc/38/44/98/1040384498.db2.gz VTQKSDHLIOXPEI-PQNGQFLHSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC001254611113 1040384515 /nfs/dbraw/zinc/38/45/15/1040384515.db2.gz VTQKSDHLIOXPEI-PQNGQFLHSA-N 2 1 391.515 3.906 20 5 GHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906862 1050154744 /nfs/dbraw/zinc/15/47/44/1050154744.db2.gz WBYDCHGRDSYOGV-UZLBHIALSA-N 2 1 388.512 3.699 20 5 GHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906862 1050154756 /nfs/dbraw/zinc/15/47/56/1050154756.db2.gz WBYDCHGRDSYOGV-UZLBHIALSA-N 2 1 388.512 3.699 20 5 GHBDMP COc1ccc2c(c1)C[N@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001474601315 1074478735 /nfs/dbraw/zinc/47/87/35/1074478735.db2.gz LSYLBAVOQKIOBE-UHFFFAOYSA-N 2 1 395.503 3.874 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000580289883 837327645 /nfs/dbraw/zinc/32/76/45/837327645.db2.gz IRDGXGDOOBLVQH-OAQYLSRUSA-N 2 1 383.492 3.864 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000580289883 837327652 /nfs/dbraw/zinc/32/76/52/837327652.db2.gz IRDGXGDOOBLVQH-OAQYLSRUSA-N 2 1 383.492 3.864 20 5 GHBDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414804297 838846921 /nfs/dbraw/zinc/84/69/21/838846921.db2.gz XEIFGNUKGGVFAL-HXUWFJFHSA-N 2 1 379.464 3.520 20 5 GHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432312427 843366950 /nfs/dbraw/zinc/36/69/50/843366950.db2.gz JFKRCXNGLKTYTG-UHFFFAOYSA-N 2 1 394.947 3.881 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387622 /nfs/dbraw/zinc/38/76/22/881387622.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387639 /nfs/dbraw/zinc/38/76/39/881387639.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352913 881387660 /nfs/dbraw/zinc/38/76/60/881387660.db2.gz UDTMFWLXPNTFIC-QUCCMNQESA-N 2 1 397.519 3.988 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000608837114 865740772 /nfs/dbraw/zinc/74/07/72/865740772.db2.gz QNMPNYFBAWVWFC-CALCHBBNSA-N 2 1 387.480 3.834 20 5 GHBDMP Cc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000539861818 869910978 /nfs/dbraw/zinc/91/09/78/869910978.db2.gz LPAXTDNCARCIRO-HDICACEKSA-N 2 1 375.513 3.615 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195491 870148013 /nfs/dbraw/zinc/14/80/13/870148013.db2.gz FEWWRCFGJRDCAV-VQIMIIECSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195491 870148020 /nfs/dbraw/zinc/14/80/20/870148020.db2.gz FEWWRCFGJRDCAV-VQIMIIECSA-N 2 1 399.491 3.755 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000192616157 882818482 /nfs/dbraw/zinc/81/84/82/882818482.db2.gz KFERBEBKXPAUSO-JOCHJYFZSA-N 2 1 381.476 3.594 20 5 GHBDMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000449153164 874541435 /nfs/dbraw/zinc/54/14/35/874541435.db2.gz IOEHQJVABZBXPT-QGZVFWFLSA-N 2 1 375.513 3.539 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000531965827 880831479 /nfs/dbraw/zinc/83/14/79/880831479.db2.gz GEXNSNZBDCWHQS-PGRDOPGGSA-N 2 1 382.508 3.543 20 5 GHBDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])ccn1 ZINC000811487847 889637472 /nfs/dbraw/zinc/63/74/72/889637472.db2.gz YNLDQWKMKZCGBG-UHFFFAOYSA-N 2 1 399.278 3.527 20 5 GHBDMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032902 891127303 /nfs/dbraw/zinc/12/73/03/891127303.db2.gz BTZLRYDBQSNIBQ-HNNXBMFYSA-N 2 1 387.455 3.541 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876930938 893393533 /nfs/dbraw/zinc/39/35/33/893393533.db2.gz HNGYAHGLADCNEU-DZIBYMRMSA-N 2 1 383.496 3.659 20 5 GHBDMP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000565389346 895586078 /nfs/dbraw/zinc/58/60/78/895586078.db2.gz BKVLJPCLWFNLLH-HDICACEKSA-N 2 1 375.513 3.615 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960110 896266871 /nfs/dbraw/zinc/26/68/71/896266871.db2.gz XNFBMIZDEUTVIJ-VGOFRKELSA-N 2 1 383.492 3.650 20 5 GHBDMP CCCC[NH+]1CCC([N@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194714 906279209 /nfs/dbraw/zinc/27/92/09/906279209.db2.gz YWGGGVIMXHNMNJ-HNNXBMFYSA-N 2 1 381.492 3.870 20 5 GHBDMP CCCC[NH+]1CCC([N@@H+](C)[C@@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194714 906279226 /nfs/dbraw/zinc/27/92/26/906279226.db2.gz YWGGGVIMXHNMNJ-HNNXBMFYSA-N 2 1 381.492 3.870 20 5 GHBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173220936 906297366 /nfs/dbraw/zinc/29/73/66/906297366.db2.gz IOXMPKGEFJZULO-SFHVURJKSA-N 2 1 397.519 3.831 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317468 /nfs/dbraw/zinc/31/74/68/906317468.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317478 /nfs/dbraw/zinc/31/74/78/906317478.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233276 906317491 /nfs/dbraw/zinc/31/74/91/906317491.db2.gz VDMFDSXPARMPBE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000780768655 930594636 /nfs/dbraw/zinc/59/46/36/930594636.db2.gz SUUZYVMUDUTNCD-GZNCHQMQSA-N 2 1 397.523 3.804 20 5 GHBDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC001116821319 933776193 /nfs/dbraw/zinc/77/61/93/933776193.db2.gz LEFGAABTVVAAGP-HSZRJFAPSA-N 2 1 394.519 3.509 20 5 GHBDMP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841073853 1028091103 /nfs/dbraw/zinc/09/11/03/1028091103.db2.gz RKYNYWMBBSBNLF-MAUKXSAKSA-N 2 1 377.847 3.870 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001246653642 1037528440 /nfs/dbraw/zinc/52/84/40/1037528440.db2.gz IPNAUNRJSZYSAS-RHSMWYFYSA-N 2 1 379.476 3.528 20 5 GHBDMP CC[C@@H](CSC)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462196849 1070073714 /nfs/dbraw/zinc/07/37/14/1070073714.db2.gz ADCYBVYNORMUOA-IBGZPJMESA-N 2 1 379.570 3.923 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccc2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246914072 1037721100 /nfs/dbraw/zinc/72/11/00/1037721100.db2.gz JNGJZGLIOLSOHQ-QGZVFWFLSA-N 2 1 383.492 3.789 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936771 1037741832 /nfs/dbraw/zinc/74/18/32/1037741832.db2.gz JOUQOLLBFMWSAW-JKSUJKDBSA-N 2 1 393.503 3.918 20 5 GHBDMP COc1ccc(C[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)cc1 ZINC001246955331 1037764440 /nfs/dbraw/zinc/76/44/40/1037764440.db2.gz RZPCGOMBURLFLT-QGZVFWFLSA-N 2 1 383.492 3.789 20 5 GHBDMP Cc1c[nH+]c2n1CCC21CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254474656 1040262884 /nfs/dbraw/zinc/26/28/84/1040262884.db2.gz MBZXYHBPTZCMRW-UHFFFAOYSA-N 2 1 395.507 3.506 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001254479453 1040266186 /nfs/dbraw/zinc/26/61/86/1040266186.db2.gz ZWEJNJSTOWPVHG-FQEVSTJZSA-N 2 1 386.540 3.904 20 5 GHBDMP CN1CCC([N@@H+](C2CCCC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254483835 1040271346 /nfs/dbraw/zinc/27/13/46/1040271346.db2.gz XZLVZMPDHWTHPC-UHFFFAOYSA-N 2 1 386.540 3.902 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374124 /nfs/dbraw/zinc/37/41/24/1040374124.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374143 /nfs/dbraw/zinc/37/41/43/1040374143.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604368 1040374163 /nfs/dbraw/zinc/37/41/63/1040374163.db2.gz WIJLVJODGZYBOZ-PKTZIBPZSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374320 /nfs/dbraw/zinc/37/43/20/1040374320.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374335 /nfs/dbraw/zinc/37/43/35/1040374335.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604366 1040374350 /nfs/dbraw/zinc/37/43/50/1040374350.db2.gz WIJLVJODGZYBOZ-DHIUTWEWSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001325856171 1057374538 /nfs/dbraw/zinc/37/45/38/1057374538.db2.gz XWLLVFUEISFVKU-XGBAPZKQSA-N 2 1 395.503 3.804 20 5 GHBDMP CC(C)c1ccc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000415140373 839266245 /nfs/dbraw/zinc/26/62/45/839266245.db2.gz YYPDKLQJTFBVCL-UHFFFAOYSA-N 2 1 396.535 3.801 20 5 GHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000105442841 843625674 /nfs/dbraw/zinc/62/56/74/843625674.db2.gz VCJBDWWUNZOKLA-AWEZNQCLSA-N 2 1 384.436 3.794 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599661296 861493657 /nfs/dbraw/zinc/49/36/57/861493657.db2.gz SOZSUFKSABVVSA-KRWDZBQOSA-N 2 1 398.507 3.814 20 5 GHBDMP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1[NH3+] ZINC000435372640 850440489 /nfs/dbraw/zinc/44/04/89/850440489.db2.gz KSLGUOMAEPDDOM-MEDUHNTESA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1[NH3+] ZINC000435372640 850440494 /nfs/dbraw/zinc/44/04/94/850440494.db2.gz KSLGUOMAEPDDOM-MEDUHNTESA-N 2 1 394.269 3.786 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000592363198 857202871 /nfs/dbraw/zinc/20/28/71/857202871.db2.gz KOQNEAAKMBGXCI-LJQANCHMSA-N 2 1 381.476 3.760 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000592363198 857202874 /nfs/dbraw/zinc/20/28/74/857202874.db2.gz KOQNEAAKMBGXCI-LJQANCHMSA-N 2 1 381.476 3.760 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426340 857399389 /nfs/dbraw/zinc/39/93/89/857399389.db2.gz WIDOMUPGNTXXAS-DNVCBOLYSA-N 2 1 385.464 3.827 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426340 857399399 /nfs/dbraw/zinc/39/93/99/857399399.db2.gz WIDOMUPGNTXXAS-DNVCBOLYSA-N 2 1 385.464 3.827 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cs2)c1 ZINC000594735709 858268658 /nfs/dbraw/zinc/26/86/58/858268658.db2.gz NIMLPKAEJWIELW-QGZVFWFLSA-N 2 1 386.521 3.930 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000160348861 858826667 /nfs/dbraw/zinc/82/66/67/858826667.db2.gz VDQQPHRKVOCXBK-LJQANCHMSA-N 2 1 396.535 3.892 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000160571727 859029116 /nfs/dbraw/zinc/02/91/16/859029116.db2.gz SCOKZVZDVIKSIL-QFIPXVFZSA-N 2 1 395.503 3.538 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389831 /nfs/dbraw/zinc/38/98/31/881389831.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389844 /nfs/dbraw/zinc/38/98/44/881389844.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352912 881389860 /nfs/dbraw/zinc/38/98/60/881389860.db2.gz UDTMFWLXPNTFIC-ICSRJNTNSA-N 2 1 397.519 3.988 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000593314671 859380576 /nfs/dbraw/zinc/38/05/76/859380576.db2.gz DZSUCKQAYAFVIL-FVJLSDCUSA-N 2 1 385.464 3.573 20 5 GHBDMP Cc1cc(N2CC[NH+]([C@H](C)c3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302191901 860915396 /nfs/dbraw/zinc/91/53/96/860915396.db2.gz RINGLAAENQIUBG-MRXNPFEDSA-N 2 1 377.448 3.730 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237672065 877760170 /nfs/dbraw/zinc/76/01/70/877760170.db2.gz LIEJVFAHQJURTI-QGZVFWFLSA-N 2 1 385.512 3.740 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585900 878235745 /nfs/dbraw/zinc/23/57/45/878235745.db2.gz CSGYDZBEAAKOEL-LAUBAEHRSA-N 2 1 375.513 3.605 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCC2 ZINC000193277346 885198234 /nfs/dbraw/zinc/19/82/34/885198234.db2.gz QSGHIUQZSJKTJB-GGAORHGYSA-N 2 1 395.503 3.719 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000563459448 893755986 /nfs/dbraw/zinc/75/59/86/893755986.db2.gz YNCHNYJHVYBDSU-OAQYLSRUSA-N 2 1 383.492 3.994 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000563459448 893755997 /nfs/dbraw/zinc/75/59/97/893755997.db2.gz YNCHNYJHVYBDSU-OAQYLSRUSA-N 2 1 383.492 3.994 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323715 896567729 /nfs/dbraw/zinc/56/77/29/896567729.db2.gz PJJKXZMTKFNWPO-SIKLNZKXSA-N 2 1 383.492 3.520 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000571103798 899741372 /nfs/dbraw/zinc/74/13/72/899741372.db2.gz JBFFLWMSYOWRTI-UHFFFAOYSA-N 2 1 391.475 3.633 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012099 906089892 /nfs/dbraw/zinc/08/98/92/906089892.db2.gz NWFRQAPXLYTABY-HNNXBMFYSA-N 2 1 396.482 3.696 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601012 1037498969 /nfs/dbraw/zinc/49/89/69/1037498969.db2.gz FTLVCFPUGFIGSS-UWJYYQICSA-N 2 1 375.513 3.780 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375322 /nfs/dbraw/zinc/37/53/22/1040375322.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375335 /nfs/dbraw/zinc/37/53/35/1040375335.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604367 1040375352 /nfs/dbraw/zinc/37/53/52/1040375352.db2.gz WIJLVJODGZYBOZ-GOTSBHOMSA-N 2 1 377.488 3.660 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001342930694 1053441961 /nfs/dbraw/zinc/44/19/61/1053441961.db2.gz DKQWBIKALDCBMJ-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001342930694 1053441965 /nfs/dbraw/zinc/44/19/65/1053441965.db2.gz DKQWBIKALDCBMJ-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236623473 838627976 /nfs/dbraw/zinc/62/79/76/838627976.db2.gz SLVOXXQLFKMDSN-INIZCTEOSA-N 2 1 389.521 3.506 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCCC2 ZINC000417333822 840736619 /nfs/dbraw/zinc/73/66/19/840736619.db2.gz ZFNHFQZQCWSWNE-HSZRJFAPSA-N 2 1 395.503 3.984 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475977 840814396 /nfs/dbraw/zinc/81/43/96/840814396.db2.gz RKXLCIRLLZOIRN-IERDGZPVSA-N 2 1 381.476 3.593 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475977 840814402 /nfs/dbraw/zinc/81/44/02/840814402.db2.gz RKXLCIRLLZOIRN-IERDGZPVSA-N 2 1 381.476 3.593 20 5 GHBDMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322752 849856775 /nfs/dbraw/zinc/85/67/75/849856775.db2.gz GTWZBXUGYQKMAF-CZAAIQMYSA-N 2 1 383.492 3.660 20 5 GHBDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435395492 850462232 /nfs/dbraw/zinc/46/22/32/850462232.db2.gz SXGSVXFQUVKDMV-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435395492 850462236 /nfs/dbraw/zinc/46/22/36/850462236.db2.gz SXGSVXFQUVKDMV-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435396222 850479970 /nfs/dbraw/zinc/47/99/70/850479970.db2.gz XDBFBINOMQTLNF-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435396222 850479973 /nfs/dbraw/zinc/47/99/73/850479973.db2.gz XDBFBINOMQTLNF-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000589184994 854737118 /nfs/dbraw/zinc/73/71/18/854737118.db2.gz JGZXTHFAEUKISR-UHFFFAOYSA-N 2 1 383.492 3.744 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)o2)c(Br)c1 ZINC000591278556 855880282 /nfs/dbraw/zinc/88/02/82/855880282.db2.gz PTPPMDWILHNFFS-GFCCVEGCSA-N 2 1 394.269 3.849 20 5 GHBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388428 856113181 /nfs/dbraw/zinc/11/31/81/856113181.db2.gz TZRXEWYWLSNCKG-OAHLLOKOSA-N 2 1 385.468 3.514 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593316305 859388575 /nfs/dbraw/zinc/38/85/75/859388575.db2.gz BQDCKWGVZDPCSI-BSIFCXSSSA-N 2 1 385.464 3.716 20 5 GHBDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797710 865290634 /nfs/dbraw/zinc/29/06/34/865290634.db2.gz QJLZIKPNZCCLTB-GCJKJVERSA-N 2 1 382.508 3.624 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206194 882032886 /nfs/dbraw/zinc/03/28/86/882032886.db2.gz CIWUYTRAGQVMNX-HXUWFJFHSA-N 2 1 394.519 3.675 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797970 870628853 /nfs/dbraw/zinc/62/88/53/870628853.db2.gz HEGNRWAJVSLJBN-MFMILTCTSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797970 870628858 /nfs/dbraw/zinc/62/88/58/870628858.db2.gz HEGNRWAJVSLJBN-MFMILTCTSA-N 2 1 385.464 3.538 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182766356 872747237 /nfs/dbraw/zinc/74/72/37/872747237.db2.gz GFPRFQJFHSTNNG-UHFFFAOYSA-N 2 1 390.528 3.676 20 5 GHBDMP COc1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000492851753 877677907 /nfs/dbraw/zinc/67/79/07/877677907.db2.gz KYMYCWMWECGGSQ-UHFFFAOYSA-N 2 1 384.480 3.737 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000776606136 878478743 /nfs/dbraw/zinc/47/87/43/878478743.db2.gz SCBRPVQZFFWKTH-NRFANRHFSA-N 2 1 377.529 3.708 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814640091 893030686 /nfs/dbraw/zinc/03/06/86/893030686.db2.gz RHEXOFJPCDVQGU-JOCHJYFZSA-N 2 1 395.503 3.616 20 5 GHBDMP COc1cc(CNC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000564498419 895037979 /nfs/dbraw/zinc/03/79/79/895037979.db2.gz SBGTZIOYQSHGPU-SFHVURJKSA-N 2 1 399.491 3.701 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913605 905984897 /nfs/dbraw/zinc/98/48/97/905984897.db2.gz SPVSCNCHVVJUKE-ZRBLBEILSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913605 905984906 /nfs/dbraw/zinc/98/49/06/905984906.db2.gz SPVSCNCHVVJUKE-ZRBLBEILSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913605 905984914 /nfs/dbraw/zinc/98/49/14/905984914.db2.gz SPVSCNCHVVJUKE-ZRBLBEILSA-N 2 1 391.515 3.906 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903254562 922884068 /nfs/dbraw/zinc/88/40/68/922884068.db2.gz SWNMKKSARUPKBT-JGBTYHIZSA-N 2 1 397.523 3.804 20 5 GHBDMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469768879 930148526 /nfs/dbraw/zinc/14/85/26/930148526.db2.gz MGCHPJDDFKHGBD-YPGOJHLTSA-N 2 1 383.492 3.850 20 5 GHBDMP COc1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469768879 930148528 /nfs/dbraw/zinc/14/85/28/930148528.db2.gz MGCHPJDDFKHGBD-YPGOJHLTSA-N 2 1 383.492 3.850 20 5 GHBDMP C[NH+]1CCC2(CCC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000798957202 932839471 /nfs/dbraw/zinc/83/94/71/932839471.db2.gz NXROTZDUMSFYPI-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000798957202 932839476 /nfs/dbraw/zinc/83/94/76/932839476.db2.gz NXROTZDUMSFYPI-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP c1cncc(CN2C[C@@H]3C[N@H+](Cc4ccc5ccc6cccnc6c5n4)C[C@@H]3C2)c1 ZINC001232219788 1035168282 /nfs/dbraw/zinc/16/82/82/1035168282.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 1 395.510 3.742 20 5 GHBDMP c1cncc(C[N@@H+]2C[C@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)c1 ZINC001232219788 1035168289 /nfs/dbraw/zinc/16/82/89/1035168289.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 1 395.510 3.742 20 5 GHBDMP c1cncc(C[N@H+]2C[C@H]3CN(Cc4ccc5ccc6cccnc6c5n4)C[C@H]3C2)c1 ZINC001232219788 1035168297 /nfs/dbraw/zinc/16/82/97/1035168297.db2.gz FAWCSBCARMLVKF-SZPZYZBQSA-N 2 1 395.510 3.742 20 5 GHBDMP Cc1cc([C@@H]2CCC[N@H+]2CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001461972723 1069923946 /nfs/dbraw/zinc/92/39/46/1069923946.db2.gz XUIKETZNRIWUCF-NRFANRHFSA-N 2 1 398.507 3.983 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC1)[NH2+]Cc1ccccc13)CC2 ZINC001247006948 1037832543 /nfs/dbraw/zinc/83/25/43/1037832543.db2.gz BGYWWRIEKQFLLR-FQEVSTJZSA-N 2 1 377.488 3.937 20 5 GHBDMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603776 1040375001 /nfs/dbraw/zinc/37/50/01/1040375001.db2.gz QQZGSNSHRZLMLU-QHCPKHFHSA-N 2 1 379.504 3.906 20 5 GHBDMP C[C@H](c1ccncc1)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308678740 1050056765 /nfs/dbraw/zinc/05/67/65/1050056765.db2.gz XSHBCBCZIDXJDB-GOSISDBHSA-N 2 1 382.508 3.937 20 5 GHBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414996184 839041306 /nfs/dbraw/zinc/04/13/06/839041306.db2.gz GGBSZJICNKOXLF-FXAWDEMLSA-N 2 1 387.455 3.616 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)c([N+](=O)[O-])c1 ZINC000512379857 843597605 /nfs/dbraw/zinc/59/76/05/843597605.db2.gz QJWKYNIMUWDXNB-UHFFFAOYSA-N 2 1 382.420 3.966 20 5 GHBDMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240210 843890257 /nfs/dbraw/zinc/89/02/57/843890257.db2.gz NMDQVTAZIBGSFY-KNQAVFIVSA-N 2 1 395.503 3.674 20 5 GHBDMP CC[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658976 861490280 /nfs/dbraw/zinc/49/02/80/861490280.db2.gz YULDXQGBOTYCQH-UHFFFAOYSA-N 2 1 395.463 3.729 20 5 GHBDMP CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599658976 861490283 /nfs/dbraw/zinc/49/02/83/861490283.db2.gz YULDXQGBOTYCQH-UHFFFAOYSA-N 2 1 395.463 3.729 20 5 GHBDMP COc1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000513499028 845552812 /nfs/dbraw/zinc/55/28/12/845552812.db2.gz DBGCYYNCUSBPIM-WMZOPIPTSA-N 2 1 399.491 3.699 20 5 GHBDMP COc1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000513499025 845552924 /nfs/dbraw/zinc/55/29/24/845552924.db2.gz DBGCYYNCUSBPIM-AEFFLSMTSA-N 2 1 399.491 3.699 20 5 GHBDMP C[NH+]1CCC(CNc2nccc3ccc([N+](=O)[O-])cc32)([NH+]2CCCCC2)CC1 ZINC000413167756 846823560 /nfs/dbraw/zinc/82/35/60/846823560.db2.gz JXCLJIZUKBVCID-UHFFFAOYSA-N 2 1 383.496 3.505 20 5 GHBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372856 850422282 /nfs/dbraw/zinc/42/22/82/850422282.db2.gz LENVGPAWTJHCLN-VXGBXAGGSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381041 850446388 /nfs/dbraw/zinc/44/63/88/850446388.db2.gz UTMRAXUWASILQJ-SJLPKXTDSA-N 2 1 391.475 3.617 20 5 GHBDMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507151722 852618239 /nfs/dbraw/zinc/61/82/39/852618239.db2.gz JXMFDMZQYJIVEI-UHFFFAOYSA-N 2 1 382.508 3.759 20 5 GHBDMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000507151722 852618242 /nfs/dbraw/zinc/61/82/42/852618242.db2.gz JXMFDMZQYJIVEI-UHFFFAOYSA-N 2 1 382.508 3.759 20 5 GHBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327437 857349001 /nfs/dbraw/zinc/34/90/01/857349001.db2.gz HRHOPULBMGMHIF-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327437 857349007 /nfs/dbraw/zinc/34/90/07/857349007.db2.gz HRHOPULBMGMHIF-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327437 857349015 /nfs/dbraw/zinc/34/90/15/857349015.db2.gz HRHOPULBMGMHIF-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000593323745 859406879 /nfs/dbraw/zinc/40/68/79/859406879.db2.gz WGYPKTRQAMNELW-BSIFCXSSSA-N 2 1 385.464 3.716 20 5 GHBDMP COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481188153 865966332 /nfs/dbraw/zinc/96/63/32/865966332.db2.gz HNWSJKXHRCOLBQ-HNAYVOBHSA-N 2 1 387.455 3.743 20 5 GHBDMP COc1ccc(OCC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000183678218 867199833 /nfs/dbraw/zinc/19/98/33/867199833.db2.gz STVYNOWSIJSNDI-HNNXBMFYSA-N 2 1 396.447 3.827 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000442917430 869076252 /nfs/dbraw/zinc/07/62/52/869076252.db2.gz ALLMNSPMPVTHNZ-KRWDZBQOSA-N 2 1 399.491 3.743 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195693 870149507 /nfs/dbraw/zinc/14/95/07/870149507.db2.gz YYINTSOXQQJTKT-LPHOPBHVSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195693 870149514 /nfs/dbraw/zinc/14/95/14/870149514.db2.gz YYINTSOXQQJTKT-LPHOPBHVSA-N 2 1 399.491 3.755 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1)CC1CC1 ZINC000770685906 874823063 /nfs/dbraw/zinc/82/30/63/874823063.db2.gz MQBJYRBSLMOUBF-UHFFFAOYSA-N 2 1 385.512 3.736 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276559 876149431 /nfs/dbraw/zinc/14/94/31/876149431.db2.gz KNXOLIXRYBPBRX-VGOFRKELSA-N 2 1 383.492 3.792 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532441959 885453493 /nfs/dbraw/zinc/45/34/93/885453493.db2.gz OIAKPBDYVBSFFG-LPHOPBHVSA-N 2 1 388.537 3.604 20 5 GHBDMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000153322872 887651654 /nfs/dbraw/zinc/65/16/54/887651654.db2.gz RYYWDYXAZGXSRK-IXDOHACOSA-N 2 1 379.501 3.534 20 5 GHBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648607 898006283 /nfs/dbraw/zinc/00/62/83/898006283.db2.gz CUFQSDIYOMCJKS-NEPJUHHUSA-N 2 1 394.269 3.929 20 5 GHBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648607 898006300 /nfs/dbraw/zinc/00/63/00/898006300.db2.gz CUFQSDIYOMCJKS-NEPJUHHUSA-N 2 1 394.269 3.929 20 5 GHBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192929604 908020494 /nfs/dbraw/zinc/02/04/94/908020494.db2.gz GUAFMPVUKONDJN-INIZCTEOSA-N 2 1 391.418 3.808 20 5 GHBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192929604 908020511 /nfs/dbraw/zinc/02/05/11/908020511.db2.gz GUAFMPVUKONDJN-INIZCTEOSA-N 2 1 391.418 3.808 20 5 GHBDMP COC[C@H]1CCCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001180603217 910266608 /nfs/dbraw/zinc/26/66/08/910266608.db2.gz QCANUELUUBWRAJ-NRFANRHFSA-N 2 1 389.540 3.598 20 5 GHBDMP CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198000 919385570 /nfs/dbraw/zinc/38/55/70/919385570.db2.gz GNTKAVSSSJEHTQ-UHFFFAOYSA-N 2 1 383.496 3.883 20 5 GHBDMP CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198000 919385598 /nfs/dbraw/zinc/38/55/98/919385598.db2.gz GNTKAVSSSJEHTQ-UHFFFAOYSA-N 2 1 383.496 3.883 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000468626962 1015855909 /nfs/dbraw/zinc/85/59/09/1015855909.db2.gz JZXFWMOHVSXJFJ-XMHGGMMESA-N 2 1 394.519 3.535 20 5 GHBDMP Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162935526 1025972693 /nfs/dbraw/zinc/97/26/93/1025972693.db2.gz RUBFXGSNFALUTL-FQEVSTJZSA-N 2 1 394.519 3.817 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC001219210934 1031306373 /nfs/dbraw/zinc/30/63/73/1031306373.db2.gz OXPHYZZZSRIAPV-SFHVURJKSA-N 2 1 376.504 3.947 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1CC[NH2+]C[C@@H]1F ZINC001219210650 1031306664 /nfs/dbraw/zinc/30/66/64/1031306664.db2.gz IRQIBNYRIBXGDJ-ROUUACIJSA-N 2 1 380.467 3.649 20 5 GHBDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632194 1037519289 /nfs/dbraw/zinc/51/92/89/1037519289.db2.gz UVZRGJAUHNMDBV-KRWDZBQOSA-N 2 1 395.503 3.671 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001246950025 1037752648 /nfs/dbraw/zinc/75/26/48/1037752648.db2.gz OMBMAWIIIUWEOZ-CQSZACIVSA-N 2 1 381.492 3.774 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001254564748 1040340537 /nfs/dbraw/zinc/34/05/37/1040340537.db2.gz MTYGLWQRLRBRAE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001254564748 1040340550 /nfs/dbraw/zinc/34/05/50/1040340550.db2.gz MTYGLWQRLRBRAE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001254564748 1040340561 /nfs/dbraw/zinc/34/05/61/1040340561.db2.gz MTYGLWQRLRBRAE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001254564748 1040340577 /nfs/dbraw/zinc/34/05/77/1040340577.db2.gz MTYGLWQRLRBRAE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235197734 1040687634 /nfs/dbraw/zinc/68/76/34/1040687634.db2.gz BWIGLGAUZWRPQJ-XMMPIXPASA-N 2 1 376.500 3.574 20 5 GHBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001235197734 1040687640 /nfs/dbraw/zinc/68/76/40/1040687640.db2.gz BWIGLGAUZWRPQJ-XMMPIXPASA-N 2 1 376.500 3.574 20 5 GHBDMP CC(C)(C)C[N@@H+](CCCO)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308587059 1050021501 /nfs/dbraw/zinc/02/15/01/1050021501.db2.gz RNSHKELHSLLDCR-UHFFFAOYSA-N 2 1 391.556 3.580 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001460099389 1068781681 /nfs/dbraw/zinc/78/16/81/1068781681.db2.gz KYHATELZAMQRBO-QFIPXVFZSA-N 2 1 381.476 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001460099389 1068781690 /nfs/dbraw/zinc/78/16/90/1068781690.db2.gz KYHATELZAMQRBO-QFIPXVFZSA-N 2 1 381.476 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001460099389 1068781696 /nfs/dbraw/zinc/78/16/96/1068781696.db2.gz KYHATELZAMQRBO-QFIPXVFZSA-N 2 1 381.476 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001460099389 1068781704 /nfs/dbraw/zinc/78/17/04/1068781704.db2.gz KYHATELZAMQRBO-QFIPXVFZSA-N 2 1 381.476 3.572 20 5 GHBDMP CC(C)[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC001474360081 1074363058 /nfs/dbraw/zinc/36/30/58/1074363058.db2.gz JHDLIUFJRVJCNK-NRFANRHFSA-N 2 1 391.581 3.923 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000584291282 835849516 /nfs/dbraw/zinc/84/95/16/835849516.db2.gz JBWMDGGYURHKNM-CVEARBPZSA-N 2 1 385.464 3.685 20 5 GHBDMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125844 839235353 /nfs/dbraw/zinc/23/53/53/839235353.db2.gz LLJQAVDODLNDDB-LPHOPBHVSA-N 2 1 399.491 3.599 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000126688115 841841592 /nfs/dbraw/zinc/84/15/92/841841592.db2.gz BLGBJJVAPLLNBO-SFHVURJKSA-N 2 1 382.508 3.501 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)o2)c1 ZINC000157089540 845846859 /nfs/dbraw/zinc/84/68/59/845846859.db2.gz LRTFOHWXCOXGPA-SFHVURJKSA-N 2 1 384.480 3.743 20 5 GHBDMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435376655 850425022 /nfs/dbraw/zinc/42/50/22/850425022.db2.gz SMSYINSTZCBDOI-GFCCVEGCSA-N 2 1 394.269 3.659 20 5 GHBDMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435376655 850425028 /nfs/dbraw/zinc/42/50/28/850425028.db2.gz SMSYINSTZCBDOI-GFCCVEGCSA-N 2 1 394.269 3.659 20 5 GHBDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435386938 850454275 /nfs/dbraw/zinc/45/42/75/850454275.db2.gz ZCQRTPRTFRIYTF-LBPRGKRZSA-N 2 1 394.269 3.788 20 5 GHBDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000426814594 852426269 /nfs/dbraw/zinc/42/62/69/852426269.db2.gz HNIWMHCJWZGIHL-HZPDHXFCSA-N 2 1 395.931 3.960 20 5 GHBDMP CC(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594973533 858335879 /nfs/dbraw/zinc/33/58/79/858335879.db2.gz FDORDHLQCFCIOF-HXUWFJFHSA-N 2 1 383.492 3.575 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000160327614 858803705 /nfs/dbraw/zinc/80/37/05/858803705.db2.gz BISHWQCIRDYALL-SFHVURJKSA-N 2 1 382.508 3.583 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000160327754 858819696 /nfs/dbraw/zinc/81/96/96/858819696.db2.gz BISHWQCIRDYALL-GOSISDBHSA-N 2 1 382.508 3.583 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593316309 859388841 /nfs/dbraw/zinc/38/88/41/859388841.db2.gz BQDCKWGVZDPCSI-OZOXKJRCSA-N 2 1 385.464 3.716 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560571 881440815 /nfs/dbraw/zinc/44/08/15/881440815.db2.gz IYEQYRSATPTDMQ-OAQYLSRUSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560571 881440819 /nfs/dbraw/zinc/44/08/19/881440819.db2.gz IYEQYRSATPTDMQ-OAQYLSRUSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560571 881440826 /nfs/dbraw/zinc/44/08/26/881440826.db2.gz IYEQYRSATPTDMQ-OAQYLSRUSA-N 2 1 398.507 3.792 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594220 881566968 /nfs/dbraw/zinc/56/69/68/881566968.db2.gz XVRORTFCDNHYAY-IIBYNOLFSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594220 881566970 /nfs/dbraw/zinc/56/69/70/881566970.db2.gz XVRORTFCDNHYAY-IIBYNOLFSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594220 881566973 /nfs/dbraw/zinc/56/69/73/881566973.db2.gz XVRORTFCDNHYAY-IIBYNOLFSA-N 2 1 384.480 3.656 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183158650 866285059 /nfs/dbraw/zinc/28/50/59/866285059.db2.gz IYTHNVTZIFJHAL-HNNXBMFYSA-N 2 1 393.447 3.768 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000542020127 874787529 /nfs/dbraw/zinc/78/75/29/874787529.db2.gz ZTMLXCCGHGTYGM-QGZVFWFLSA-N 2 1 390.528 3.756 20 5 GHBDMP Cn1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237751162 877962192 /nfs/dbraw/zinc/96/21/92/877962192.db2.gz GEZCMCQYZPJQKV-UHFFFAOYSA-N 2 1 397.523 3.740 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3C)cc2)CC1 ZINC000532446526 885493412 /nfs/dbraw/zinc/49/34/12/885493412.db2.gz FQNADNJFNTTYQU-IBGZPJMESA-N 2 1 396.535 3.892 20 5 GHBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495439875 885808851 /nfs/dbraw/zinc/80/88/51/885808851.db2.gz OHEBYJSILKLTFX-CRAIPNDOSA-N 2 1 383.920 3.517 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000173600758 889995122 /nfs/dbraw/zinc/99/51/22/889995122.db2.gz YKUKBEZRTDDRCM-QGZVFWFLSA-N 2 1 384.480 3.600 20 5 GHBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121944641 891956931 /nfs/dbraw/zinc/95/69/31/891956931.db2.gz BIQJKOCSPCVPTK-KRWDZBQOSA-N 2 1 388.512 3.510 20 5 GHBDMP C[N@@H+]1CCc2c(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001170753736 892963286 /nfs/dbraw/zinc/96/32/86/892963286.db2.gz DJYPMMLIYIQKCH-IBGZPJMESA-N 2 1 394.519 3.702 20 5 GHBDMP C[N@H+]1CCc2c(N[C@@H](Cc3ccccc3)C[NH+]3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001170753736 892963297 /nfs/dbraw/zinc/96/32/97/892963297.db2.gz DJYPMMLIYIQKCH-IBGZPJMESA-N 2 1 394.519 3.702 20 5 GHBDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913276 906023398 /nfs/dbraw/zinc/02/33/98/906023398.db2.gz VEYVJHRYZRUSEC-IBGZPJMESA-N 2 1 380.492 3.804 20 5 GHBDMP CC1CC[NH+](CC[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001175353020 907515217 /nfs/dbraw/zinc/51/52/17/907515217.db2.gz SQGYSENCTYEJAP-GOSISDBHSA-N 2 1 388.512 3.510 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783571415 931585743 /nfs/dbraw/zinc/58/57/43/931585743.db2.gz CWOLFWVEJXBPHA-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221054 1014561937 /nfs/dbraw/zinc/56/19/37/1014561937.db2.gz JRIDJXJMSXPEBE-NQIIRXRSSA-N 2 1 382.508 3.543 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127003 1029817426 /nfs/dbraw/zinc/81/74/26/1029817426.db2.gz NVOORRHTPRWNJW-GJZGRUSLSA-N 2 1 382.302 3.569 20 5 GHBDMP O=C1C[N@@H+](Cc2ccc3ccc4cccc5ccc2c3c45)CC2(CC[NH2+]CC2)N1 ZINC001222515659 1030176307 /nfs/dbraw/zinc/17/63/07/1030176307.db2.gz WWPRKZBDHDKQCE-UHFFFAOYSA-N 2 1 383.495 3.638 20 5 GHBDMP O=C1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CC2(CC[NH2+]CC2)N1 ZINC001222515208 1030176696 /nfs/dbraw/zinc/17/66/96/1030176696.db2.gz NRGPTNWFTSRMSN-UHFFFAOYSA-N 2 1 393.918 3.700 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246669856 1037537075 /nfs/dbraw/zinc/53/70/75/1037537075.db2.gz ACECSDBWEAJCAP-JMUQELJHSA-N 2 1 379.504 3.779 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564746 1040340774 /nfs/dbraw/zinc/34/07/74/1040340774.db2.gz MTYGLWQRLRBRAE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564746 1040340793 /nfs/dbraw/zinc/34/07/93/1040340793.db2.gz MTYGLWQRLRBRAE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564746 1040340806 /nfs/dbraw/zinc/34/08/06/1040340806.db2.gz MTYGLWQRLRBRAE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564746 1040340828 /nfs/dbraw/zinc/34/08/28/1040340828.db2.gz MTYGLWQRLRBRAE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326144768 1057422282 /nfs/dbraw/zinc/42/22/82/1057422282.db2.gz VGDBODFTNLMMMR-UYRXBGFRSA-N 2 1 394.519 3.535 20 5 GHBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000120796714 836539493 /nfs/dbraw/zinc/53/94/93/836539493.db2.gz KFZJURZBLJJQTB-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413946 842423453 /nfs/dbraw/zinc/42/34/53/842423453.db2.gz PDKUGWQGHPGHDT-SJORKVTESA-N 2 1 381.542 3.556 20 5 GHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413945 842423595 /nfs/dbraw/zinc/42/35/95/842423595.db2.gz PDKUGWQGHPGHDT-IRXDYDNUSA-N 2 1 381.542 3.556 20 5 GHBDMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237125438 845707095 /nfs/dbraw/zinc/70/70/95/845707095.db2.gz XKLPTBARVOXWHR-UHFFFAOYSA-N 2 1 375.494 3.524 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000513786500 847576572 /nfs/dbraw/zinc/57/65/72/847576572.db2.gz IATSJNSAVPBHIE-YOUFYPILSA-N 2 1 389.540 3.785 20 5 GHBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372853 850421262 /nfs/dbraw/zinc/42/12/62/850421262.db2.gz LENVGPAWTJHCLN-NWDGAFQWSA-N 2 1 394.269 3.786 20 5 GHBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC[NH2+]CC1 ZINC000435375295 850424362 /nfs/dbraw/zinc/42/43/62/850424362.db2.gz LOQJETRMQNXULT-UHFFFAOYSA-N 2 1 394.269 3.801 20 5 GHBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC[NH2+]CC1 ZINC000435375295 850424368 /nfs/dbraw/zinc/42/43/68/850424368.db2.gz LOQJETRMQNXULT-UHFFFAOYSA-N 2 1 394.269 3.801 20 5 GHBDMP Cc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)cc(N2CCCC2)[nH+]1 ZINC000589604397 855057780 /nfs/dbraw/zinc/05/77/80/855057780.db2.gz JGKRYBUIGRYJQM-UHFFFAOYSA-N 2 1 377.448 3.789 20 5 GHBDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248446052 856460052 /nfs/dbraw/zinc/46/00/52/856460052.db2.gz MWPZELLFOPTYFS-VXKWHMMOSA-N 2 1 383.492 3.792 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495426 858192543 /nfs/dbraw/zinc/19/25/43/858192543.db2.gz XLLOAJIPLFCVJU-JOCHJYFZSA-N 2 1 394.519 3.509 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000593323747 859407153 /nfs/dbraw/zinc/40/71/53/859407153.db2.gz WGYPKTRQAMNELW-OZOXKJRCSA-N 2 1 385.464 3.716 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c([N+](=O)[O-])c1 ZINC001170351723 881498470 /nfs/dbraw/zinc/49/84/70/881498470.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351723 881498475 /nfs/dbraw/zinc/49/84/75/881498475.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351723 881498482 /nfs/dbraw/zinc/49/84/82/881498482.db2.gz HETDSXLYDGQXPF-YTQUADARSA-N 2 1 375.513 3.873 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000447587111 871893588 /nfs/dbraw/zinc/89/35/88/871893588.db2.gz OSDXUQSAQVGEKY-CWJKEVGVSA-N 2 1 397.523 3.918 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000447587111 871893614 /nfs/dbraw/zinc/89/36/14/871893614.db2.gz OSDXUQSAQVGEKY-CWJKEVGVSA-N 2 1 397.523 3.918 20 5 GHBDMP C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000102526220 873252014 /nfs/dbraw/zinc/25/20/14/873252014.db2.gz MQMIWEHYWGAZDY-UHFFFAOYSA-N 2 1 391.475 3.631 20 5 GHBDMP CCOc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000492722280 877453415 /nfs/dbraw/zinc/45/34/15/877453415.db2.gz NGFPYKPVRCFSHW-UHFFFAOYSA-N 2 1 384.480 3.737 20 5 GHBDMP CC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480987 885799758 /nfs/dbraw/zinc/79/97/58/885799758.db2.gz LEZSOKHWIAXERK-FCHUYYIVSA-N 2 1 382.508 3.624 20 5 GHBDMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000866470365 888897686 /nfs/dbraw/zinc/89/76/86/888897686.db2.gz WRCQFHYSFWBVMS-HXUWFJFHSA-N 2 1 385.512 3.518 20 5 GHBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000192731594 907868935 /nfs/dbraw/zinc/86/89/35/907868935.db2.gz XIAGCBYGCMCDTQ-GAJHUEQPSA-N 2 1 395.503 3.983 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000192731594 907868953 /nfs/dbraw/zinc/86/89/53/907868953.db2.gz XIAGCBYGCMCDTQ-GAJHUEQPSA-N 2 1 395.503 3.983 20 5 GHBDMP CC1CC[NH+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560514101 933304000 /nfs/dbraw/zinc/30/40/00/933304000.db2.gz FMDASZCPQKKMGT-FQEVSTJZSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531768 933316685 /nfs/dbraw/zinc/31/66/85/933316685.db2.gz LQFPDNIWBHPQCX-YLJYHZDGSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531768 933316694 /nfs/dbraw/zinc/31/66/94/933316694.db2.gz LQFPDNIWBHPQCX-YLJYHZDGSA-N 2 1 385.512 3.519 20 5 GHBDMP C[N@@H+]1CCc2c(NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001166910155 1027148689 /nfs/dbraw/zinc/14/86/89/1027148689.db2.gz LFQXYKYGGPOHJK-JOCHJYFZSA-N 2 1 380.492 3.832 20 5 GHBDMP C[N@H+]1CCc2c(NC[C@H](c3ccccc3)[NH+]3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001166910155 1027148697 /nfs/dbraw/zinc/14/86/97/1027148697.db2.gz LFQXYKYGGPOHJK-JOCHJYFZSA-N 2 1 380.492 3.832 20 5 GHBDMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)c2c1 ZINC001160013015 1034829526 /nfs/dbraw/zinc/82/95/26/1034829526.db2.gz OWGCMSKRRTYMGN-KIUWMYQTSA-N 2 1 379.464 3.664 20 5 GHBDMP COc1ccc2nc3ccc(OC)cc3c(SCCC[NH2+][C@H]3CC[NH2+]C3)c2c1 ZINC001246287160 1037277777 /nfs/dbraw/zinc/27/77/77/1037277777.db2.gz KQVPOXKMUGMMML-HNNXBMFYSA-N 2 1 397.544 3.839 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608398 1037503386 /nfs/dbraw/zinc/50/33/86/1037503386.db2.gz WMDQVXJLNVZIRT-IERDGZPVSA-N 2 1 393.503 3.919 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608398 1037503400 /nfs/dbraw/zinc/50/34/00/1037503400.db2.gz WMDQVXJLNVZIRT-IERDGZPVSA-N 2 1 393.503 3.919 20 5 GHBDMP Cc1cc(F)cc(C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c1 ZINC001246952017 1037754652 /nfs/dbraw/zinc/75/46/52/1037754652.db2.gz QJFTWLRERMISGJ-QFIPXVFZSA-N 2 1 383.467 3.764 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584873 1040358427 /nfs/dbraw/zinc/35/84/27/1040358427.db2.gz AUGSUPZFHJEPMF-SFHLNBCPSA-N 2 1 383.467 3.973 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001254595017 1040367626 /nfs/dbraw/zinc/36/76/26/1040367626.db2.gz HWGZATSNIGXGQN-OAQYLSRUSA-N 2 1 381.476 3.643 20 5 GHBDMP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001325266532 1057302429 /nfs/dbraw/zinc/30/24/29/1057302429.db2.gz COXLTOQNNSGSLO-LLVKDONJSA-N 2 1 382.258 3.705 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532987 834586652 /nfs/dbraw/zinc/58/66/52/834586652.db2.gz ZOEYVWBRSZKRPP-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532987 834586658 /nfs/dbraw/zinc/58/66/58/834586658.db2.gz ZOEYVWBRSZKRPP-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532987 834586670 /nfs/dbraw/zinc/58/66/70/834586670.db2.gz ZOEYVWBRSZKRPP-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000411384643 836159789 /nfs/dbraw/zinc/15/97/89/836159789.db2.gz WBOODVQFCNVCQE-UHFFFAOYSA-N 2 1 396.491 3.520 20 5 GHBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000411384643 836159796 /nfs/dbraw/zinc/15/97/96/836159796.db2.gz WBOODVQFCNVCQE-UHFFFAOYSA-N 2 1 396.491 3.520 20 5 GHBDMP CC(C)c1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1[N+](=O)[O-] ZINC000378337873 838884745 /nfs/dbraw/zinc/88/47/45/838884745.db2.gz BJEMXNSPQMVMNC-UHFFFAOYSA-N 2 1 388.556 3.709 20 5 GHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471560738 839318876 /nfs/dbraw/zinc/31/88/76/839318876.db2.gz ZBUQMNBSTYLZHI-UHFFFAOYSA-N 2 1 394.947 3.881 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900695 842856388 /nfs/dbraw/zinc/85/63/88/842856388.db2.gz QAPCIQHBRJCULN-UHFFFAOYSA-N 2 1 393.491 4.000 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900695 842856395 /nfs/dbraw/zinc/85/63/95/842856395.db2.gz QAPCIQHBRJCULN-UHFFFAOYSA-N 2 1 393.491 4.000 20 5 GHBDMP Cc1cc(N2CCC([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)nc(C)[nH+]1 ZINC000162227498 843214302 /nfs/dbraw/zinc/21/43/02/843214302.db2.gz GTVGLZWXSYHEMC-FQEVSTJZSA-N 2 1 395.507 3.581 20 5 GHBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298303 843984795 /nfs/dbraw/zinc/98/47/95/843984795.db2.gz YWXLJMXIXAYCDC-ACRUOGEOSA-N 2 1 387.524 3.675 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092547 851232380 /nfs/dbraw/zinc/23/23/80/851232380.db2.gz FFMWMKASBYEVLB-UEXGIBASSA-N 2 1 399.539 3.765 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092547 851232393 /nfs/dbraw/zinc/23/23/93/851232393.db2.gz FFMWMKASBYEVLB-UEXGIBASSA-N 2 1 399.539 3.765 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000589196787 854742284 /nfs/dbraw/zinc/74/22/84/854742284.db2.gz YWEXXNGCUZVOBK-UHFFFAOYSA-N 2 1 385.464 3.545 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000589196787 854742289 /nfs/dbraw/zinc/74/22/89/854742289.db2.gz YWEXXNGCUZVOBK-UHFFFAOYSA-N 2 1 385.464 3.545 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495427 858192300 /nfs/dbraw/zinc/19/23/00/858192300.db2.gz XLLOAJIPLFCVJU-QFIPXVFZSA-N 2 1 394.519 3.509 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552962 881380797 /nfs/dbraw/zinc/38/07/97/881380797.db2.gz IZWMEJULVIYVLB-RFFSMVSESA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552962 881380817 /nfs/dbraw/zinc/38/08/17/881380817.db2.gz IZWMEJULVIYVLB-RFFSMVSESA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552962 881380837 /nfs/dbraw/zinc/38/08/37/881380837.db2.gz IZWMEJULVIYVLB-RFFSMVSESA-N 2 1 396.491 3.608 20 5 GHBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000543630775 859118452 /nfs/dbraw/zinc/11/84/52/859118452.db2.gz BEMXLNFMRRXKAH-UHFFFAOYSA-N 2 1 388.556 3.531 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000593316238 859388892 /nfs/dbraw/zinc/38/88/92/859388892.db2.gz BFXQDOJVQLVGEZ-VMRPVKRXSA-N 2 1 385.464 3.716 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600568 881575064 /nfs/dbraw/zinc/57/50/64/881575064.db2.gz VCBMJHVMLPZFIN-QFIPXVFZSA-N 2 1 398.507 3.526 20 5 GHBDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600568 881575071 /nfs/dbraw/zinc/57/50/71/881575071.db2.gz VCBMJHVMLPZFIN-QFIPXVFZSA-N 2 1 398.507 3.526 20 5 GHBDMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600568 881575080 /nfs/dbraw/zinc/57/50/80/881575080.db2.gz VCBMJHVMLPZFIN-QFIPXVFZSA-N 2 1 398.507 3.526 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878287 881766055 /nfs/dbraw/zinc/76/60/55/881766055.db2.gz UKERFLCFQRIZFI-HNAYVOBHSA-N 2 1 384.436 3.503 20 5 GHBDMP O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000554729048 864781874 /nfs/dbraw/zinc/78/18/74/864781874.db2.gz BWVKPJQCDDJGOL-UHFFFAOYSA-N 2 1 378.476 3.873 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768926238 873695291 /nfs/dbraw/zinc/69/52/91/873695291.db2.gz KIBCENJXVFRZLP-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768926238 873695300 /nfs/dbraw/zinc/69/53/00/873695300.db2.gz KIBCENJXVFRZLP-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590543 878278457 /nfs/dbraw/zinc/27/84/57/878278457.db2.gz DUTSAWXQFGRYGK-DHIUTWEWSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590543 878278472 /nfs/dbraw/zinc/27/84/72/878278472.db2.gz DUTSAWXQFGRYGK-DHIUTWEWSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000776590543 878278478 /nfs/dbraw/zinc/27/84/78/878278478.db2.gz DUTSAWXQFGRYGK-DHIUTWEWSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590543 878278481 /nfs/dbraw/zinc/27/84/81/878278481.db2.gz DUTSAWXQFGRYGK-DHIUTWEWSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172913461 906023202 /nfs/dbraw/zinc/02/32/02/906023202.db2.gz WAXOTHFVPXDSHE-KZKAQZJJSA-N 2 1 377.488 3.562 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172913461 906023219 /nfs/dbraw/zinc/02/32/19/906023219.db2.gz WAXOTHFVPXDSHE-KZKAQZJJSA-N 2 1 377.488 3.562 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001173179021 906256627 /nfs/dbraw/zinc/25/66/27/906256627.db2.gz ISTKKQZGQLCNRR-DZKIICNBSA-N 2 1 379.476 3.798 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246294038 910219049 /nfs/dbraw/zinc/21/90/49/910219049.db2.gz OZYOKDRJIIUIFJ-LAUBAEHRSA-N 2 1 375.513 3.605 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001191359717 917962403 /nfs/dbraw/zinc/96/24/03/917962403.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001191359717 917962412 /nfs/dbraw/zinc/96/24/12/917962412.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC001191359717 917962424 /nfs/dbraw/zinc/96/24/24/917962424.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001191359717 917962435 /nfs/dbraw/zinc/96/24/35/917962435.db2.gz XLFIMSMEJPKFIL-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000578070844 1020316828 /nfs/dbraw/zinc/31/68/28/1020316828.db2.gz MZLKRJZGWUGAJY-IERDGZPVSA-N 2 1 396.491 3.642 20 5 GHBDMP C[NH+](C)CCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839534052 1026024226 /nfs/dbraw/zinc/02/42/26/1026024226.db2.gz BQMMVDYWDDALRZ-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP C[C@@H](c1ccccn1)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462068931 1069978033 /nfs/dbraw/zinc/97/80/33/1069978033.db2.gz CJTWZZJGPVZQNM-SFHVURJKSA-N 2 1 382.508 3.937 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(c3ccccc3)CC[NH2+]CC2)c1F ZINC001246427128 1037385444 /nfs/dbraw/zinc/38/54/44/1037385444.db2.gz BTAGKZFZCSQIRX-OAHLLOKOSA-N 2 1 387.455 3.542 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001254561839 1040334893 /nfs/dbraw/zinc/33/48/93/1040334893.db2.gz MIRNBCRAIPXNBC-SJLPKXTDSA-N 2 1 375.513 3.537 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC001319762021 1055450172 /nfs/dbraw/zinc/45/01/72/1055450172.db2.gz ARZZFKZVSPKOCX-GOSISDBHSA-N 2 1 382.508 3.501 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000247250216 838150654 /nfs/dbraw/zinc/15/06/54/838150654.db2.gz ZPCGQRRHGNBSRJ-ROUUACIJSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000247250216 838150656 /nfs/dbraw/zinc/15/06/56/838150656.db2.gz ZPCGQRRHGNBSRJ-ROUUACIJSA-N 2 1 383.492 3.975 20 5 GHBDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]1 ZINC000414955388 839016168 /nfs/dbraw/zinc/01/61/68/839016168.db2.gz UGCBAAGNFIBORB-NEPJUHHUSA-N 2 1 394.269 3.847 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000126312466 840911702 /nfs/dbraw/zinc/91/17/02/840911702.db2.gz DGNVQWJGGJSJAO-IBGZPJMESA-N 2 1 377.448 3.595 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000599659823 861491993 /nfs/dbraw/zinc/49/19/93/861491993.db2.gz KAIDSKWSUBLSKY-UHFFFAOYSA-N 2 1 375.444 3.826 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000599659823 861492008 /nfs/dbraw/zinc/49/20/08/861492008.db2.gz KAIDSKWSUBLSKY-UHFFFAOYSA-N 2 1 375.444 3.826 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506942 861752530 /nfs/dbraw/zinc/75/25/30/861752530.db2.gz BCHUITVUXKDQNY-RTBURBONSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506942 861752540 /nfs/dbraw/zinc/75/25/40/861752540.db2.gz BCHUITVUXKDQNY-RTBURBONSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506942 861752546 /nfs/dbraw/zinc/75/25/46/861752546.db2.gz BCHUITVUXKDQNY-RTBURBONSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506942 861752556 /nfs/dbraw/zinc/75/25/56/861752556.db2.gz BCHUITVUXKDQNY-RTBURBONSA-N 2 1 375.513 3.950 20 5 GHBDMP Cc1c([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000423581159 849987762 /nfs/dbraw/zinc/98/77/62/849987762.db2.gz YVKIBDDZEPMGCK-SFHVURJKSA-N 2 1 382.508 3.547 20 5 GHBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426782151 852387383 /nfs/dbraw/zinc/38/73/83/852387383.db2.gz FWEZGMKGOLWBNB-KSZLIROESA-N 2 1 375.513 3.867 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000246432798 857378306 /nfs/dbraw/zinc/37/83/06/857378306.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000246432798 857378328 /nfs/dbraw/zinc/37/83/28/857378328.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000246432798 857378340 /nfs/dbraw/zinc/37/83/40/857378340.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000246432798 857378357 /nfs/dbraw/zinc/37/83/57/857378357.db2.gz CRRFDYTYPHOOLZ-PXNSSMCTSA-N 2 1 396.491 3.741 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797972 870629034 /nfs/dbraw/zinc/62/90/34/870629034.db2.gz HEGNRWAJVSLJBN-VMRPVKRXSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797972 870629038 /nfs/dbraw/zinc/62/90/38/870629038.db2.gz HEGNRWAJVSLJBN-VMRPVKRXSA-N 2 1 385.464 3.538 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000540174775 870662504 /nfs/dbraw/zinc/66/25/04/870662504.db2.gz ZEEKMDVRBMTSJM-QGZVFWFLSA-N 2 1 398.507 3.942 20 5 GHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000179917067 878212960 /nfs/dbraw/zinc/21/29/60/878212960.db2.gz XREKIFNIJCYVSP-UHFFFAOYSA-N 2 1 394.479 3.536 20 5 GHBDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000493311979 879375573 /nfs/dbraw/zinc/37/55/73/879375573.db2.gz VUIMERFIZFWWEA-HOTGVXAUSA-N 2 1 395.931 3.960 20 5 GHBDMP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000568872284 898179260 /nfs/dbraw/zinc/17/92/60/898179260.db2.gz YHZOZQIKGXAKJB-UHFFFAOYSA-N 2 1 375.494 3.524 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001173179022 906256991 /nfs/dbraw/zinc/25/69/91/906256991.db2.gz ISTKKQZGQLCNRR-IIAWOOMASA-N 2 1 379.476 3.798 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC001175966191 907843582 /nfs/dbraw/zinc/84/35/82/907843582.db2.gz YSFHJKDDKRGEDL-UHFFFAOYSA-N 2 1 388.512 3.572 20 5 GHBDMP COC[C@@H]1CCCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001180603219 910266327 /nfs/dbraw/zinc/26/63/27/910266327.db2.gz QCANUELUUBWRAJ-OAQYLSRUSA-N 2 1 389.540 3.598 20 5 GHBDMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799989 915114052 /nfs/dbraw/zinc/11/40/52/915114052.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@H]1C[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799989 915114058 /nfs/dbraw/zinc/11/40/58/915114058.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799989 915114066 /nfs/dbraw/zinc/11/40/66/915114066.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799989 915114072 /nfs/dbraw/zinc/11/40/72/915114072.db2.gz WOYQJRUDRUPJIZ-ICSRJNTNSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678442 927231538 /nfs/dbraw/zinc/23/15/38/927231538.db2.gz SAAKJXCASKGTBY-VGSWGCGISA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531766 933316976 /nfs/dbraw/zinc/31/69/76/933316976.db2.gz LQFPDNIWBHPQCX-PXNSSMCTSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531766 933316991 /nfs/dbraw/zinc/31/69/91/933316991.db2.gz LQFPDNIWBHPQCX-PXNSSMCTSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000469760918 1016616232 /nfs/dbraw/zinc/61/62/32/1016616232.db2.gz ORQITFLWOYZRIW-OEWRPIJISA-N 2 1 383.492 3.720 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165202898 1026665181 /nfs/dbraw/zinc/66/51/81/1026665181.db2.gz QDWNOSZEYJCJBD-QAZIKRLUSA-N 2 1 395.507 3.621 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165202898 1026665188 /nfs/dbraw/zinc/66/51/88/1026665188.db2.gz QDWNOSZEYJCJBD-QAZIKRLUSA-N 2 1 395.507 3.621 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246669850 1037538058 /nfs/dbraw/zinc/53/80/58/1037538058.db2.gz ACECSDBWEAJCAP-AAIMPIBUSA-N 2 1 379.504 3.779 20 5 GHBDMP Cc1ccc[nH+]c1N1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254468119 1040254387 /nfs/dbraw/zinc/25/43/87/1040254387.db2.gz HSPAXOPMQWRXOU-UHFFFAOYSA-N 2 1 395.507 3.526 20 5 GHBDMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581249 1040357024 /nfs/dbraw/zinc/35/70/24/1040357024.db2.gz MZNPTDOQTODLLP-WDKZXAFLSA-N 2 1 397.478 3.639 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588483 1040363158 /nfs/dbraw/zinc/36/31/58/1040363158.db2.gz ZVSGXQAJOSJFSI-IFMALSPDSA-N 2 1 379.504 3.952 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588483 1040363171 /nfs/dbraw/zinc/36/31/71/1040363171.db2.gz ZVSGXQAJOSJFSI-IFMALSPDSA-N 2 1 379.504 3.952 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCCc4occc4C3)CC2)cc1 ZINC001308797064 1050097765 /nfs/dbraw/zinc/09/77/65/1050097765.db2.gz AQDABKYVLINCLO-UHFFFAOYSA-N 2 1 383.492 3.891 20 5 GHBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000581613205 837563630 /nfs/dbraw/zinc/56/36/30/837563630.db2.gz VPKWLGSBZRCWHU-NRFANRHFSA-N 2 1 396.491 3.644 20 5 GHBDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]1 ZINC000414955390 839016528 /nfs/dbraw/zinc/01/65/28/839016528.db2.gz UGCBAAGNFIBORB-NWDGAFQWSA-N 2 1 394.269 3.847 20 5 GHBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298305 843984994 /nfs/dbraw/zinc/98/49/94/843984994.db2.gz YWXLJMXIXAYCDC-PCCBWWKXSA-N 2 1 387.524 3.675 20 5 GHBDMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322755 849856729 /nfs/dbraw/zinc/85/67/29/849856729.db2.gz GTWZBXUGYQKMAF-TYCQWZJGSA-N 2 1 383.492 3.660 20 5 GHBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374646 850421832 /nfs/dbraw/zinc/42/18/32/850421832.db2.gz JEPVPPBCGOQDHQ-RYUDHWBXSA-N 2 1 394.269 3.786 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000153474724 856659592 /nfs/dbraw/zinc/65/95/92/856659592.db2.gz ZPCGQRRHGNBSRJ-QZTJIDSGSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000153474724 856659602 /nfs/dbraw/zinc/65/96/02/856659602.db2.gz ZPCGQRRHGNBSRJ-QZTJIDSGSA-N 2 1 383.492 3.975 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000246432787 857378855 /nfs/dbraw/zinc/37/88/55/857378855.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000246432787 857378861 /nfs/dbraw/zinc/37/88/61/857378861.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000246432787 857378869 /nfs/dbraw/zinc/37/88/69/857378869.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000246432787 857378879 /nfs/dbraw/zinc/37/88/79/857378879.db2.gz CRRFDYTYPHOOLZ-FXAWDEMLSA-N 2 1 396.491 3.741 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000160352891 858826898 /nfs/dbraw/zinc/82/68/98/858826898.db2.gz WVMHTDAWUPTZFS-LJQANCHMSA-N 2 1 396.535 3.892 20 5 GHBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000116276296 858921970 /nfs/dbraw/zinc/92/19/70/858921970.db2.gz ZKBQEQMWDUENNL-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000116276296 858921972 /nfs/dbraw/zinc/92/19/72/858921972.db2.gz ZKBQEQMWDUENNL-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554843298 865003649 /nfs/dbraw/zinc/00/36/49/865003649.db2.gz MEUSBDVLQIKEAL-NRFANRHFSA-N 2 1 383.492 3.864 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554843298 865003669 /nfs/dbraw/zinc/00/36/69/865003669.db2.gz MEUSBDVLQIKEAL-NRFANRHFSA-N 2 1 383.492 3.864 20 5 GHBDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000475627466 868353032 /nfs/dbraw/zinc/35/30/32/868353032.db2.gz SZDZSKMJOFBHGE-UHFFFAOYSA-N 2 1 394.431 3.581 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001168992563 871074057 /nfs/dbraw/zinc/07/40/57/871074057.db2.gz FTVPGGYHRAKDRA-YPGOJHLTSA-N 2 1 383.492 3.850 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001168992563 871074073 /nfs/dbraw/zinc/07/40/73/871074073.db2.gz FTVPGGYHRAKDRA-YPGOJHLTSA-N 2 1 383.492 3.850 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000618571808 871738590 /nfs/dbraw/zinc/73/85/90/871738590.db2.gz ZZZCIVSCTVOEQU-NUZGMZIFSA-N 2 1 381.476 3.759 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000182782529 872768215 /nfs/dbraw/zinc/76/82/15/872768215.db2.gz HJCQZRZIARRZPF-QGZVFWFLSA-N 2 1 390.528 3.756 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1)CC1CC1 ZINC000770685821 874822462 /nfs/dbraw/zinc/82/24/62/874822462.db2.gz MGBOYZOEOBMDLY-UHFFFAOYSA-N 2 1 385.512 3.736 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000762073813 885314196 /nfs/dbraw/zinc/31/41/96/885314196.db2.gz JOHKGKYISLTYNW-UHFFFAOYSA-N 2 1 382.468 3.587 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000762073813 885314214 /nfs/dbraw/zinc/31/42/14/885314214.db2.gz JOHKGKYISLTYNW-UHFFFAOYSA-N 2 1 382.468 3.587 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000532467209 885614710 /nfs/dbraw/zinc/61/47/10/885614710.db2.gz RTCGHNFORIFUGY-ZWKOTPCHSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000532467209 885614719 /nfs/dbraw/zinc/61/47/19/885614719.db2.gz RTCGHNFORIFUGY-ZWKOTPCHSA-N 2 1 383.492 3.975 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959390 896296920 /nfs/dbraw/zinc/29/69/20/896296920.db2.gz JFDWODLRWPGMSU-HTAPYJJXSA-N 2 1 383.492 3.792 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000569532656 898754825 /nfs/dbraw/zinc/75/48/25/898754825.db2.gz ZZDRLZUSMSJIMH-UHFFFAOYSA-N 2 1 387.480 3.696 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000569532656 898754834 /nfs/dbraw/zinc/75/48/34/898754834.db2.gz ZZDRLZUSMSJIMH-UHFFFAOYSA-N 2 1 387.480 3.696 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172900671 905921598 /nfs/dbraw/zinc/92/15/98/905921598.db2.gz XTPNPUDRMZNOBM-KNQAVFIVSA-N 2 1 379.504 3.954 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001173188834 906269804 /nfs/dbraw/zinc/26/98/04/906269804.db2.gz HGHODPCDAFNOGI-HNNXBMFYSA-N 2 1 381.492 3.726 20 5 GHBDMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)CC2)nc(C)[nH+]1 ZINC000192934420 908025067 /nfs/dbraw/zinc/02/50/67/908025067.db2.gz UDKFEOZFSLXVMQ-HXUWFJFHSA-N 2 1 381.480 3.638 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[NH2+]CC[C@H]1C ZINC001219211026 1031306869 /nfs/dbraw/zinc/30/68/69/1031306869.db2.gz SDGFVGCALLKOOT-AUUYWEPGSA-N 2 1 376.504 3.947 20 5 GHBDMP O=C(NCCCCCC[NH2+][C@H]1CC[NH2+]C1)c1c2ccccc2nc2ccccc21 ZINC001246484901 1037430873 /nfs/dbraw/zinc/43/08/73/1037430873.db2.gz SFBJZEQADIFVDV-SFHVURJKSA-N 2 1 390.531 3.630 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246681863 1037545470 /nfs/dbraw/zinc/54/54/70/1037545470.db2.gz ABARJUKECPNDEC-AAIMPIBUSA-N 2 1 379.504 3.779 20 5 GHBDMP CCC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001253103843 1039426519 /nfs/dbraw/zinc/42/65/19/1039426519.db2.gz MNVHCXHEMVCPOD-HSZRJFAPSA-N 2 1 396.535 3.973 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040375980 /nfs/dbraw/zinc/37/59/80/1040375980.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040375988 /nfs/dbraw/zinc/37/59/88/1040375988.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 2 1 377.488 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C1)C2 ZINC001254604369 1040375994 /nfs/dbraw/zinc/37/59/94/1040375994.db2.gz WIJLVJODGZYBOZ-XZOQPEGZSA-N 2 1 377.488 3.660 20 5 GHBDMP COc1cc(N2CCC([N@@H+](C(C)C)[C@H]3CC[C@H]([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256088963 1041518398 /nfs/dbraw/zinc/51/83/98/1041518398.db2.gz OAHIJQCFDLEFBW-QAQDUYKDSA-N 2 1 390.528 3.553 20 5 GHBDMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000236627416 838880977 /nfs/dbraw/zinc/88/09/77/838880977.db2.gz SLVOXXQLFKMDSN-MRXNPFEDSA-N 2 1 389.521 3.506 20 5 GHBDMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322754 849856506 /nfs/dbraw/zinc/85/65/06/849856506.db2.gz GTWZBXUGYQKMAF-ORYQWCPZSA-N 2 1 383.492 3.660 20 5 GHBDMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000435368810 850434736 /nfs/dbraw/zinc/43/47/36/850434736.db2.gz CDVDVIVOXLBHMF-KKSFZXQISA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH3+] ZINC000435368810 850434742 /nfs/dbraw/zinc/43/47/42/850434742.db2.gz CDVDVIVOXLBHMF-KKSFZXQISA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381042 850446253 /nfs/dbraw/zinc/44/62/53/850446253.db2.gz UTMRAXUWASILQJ-WMZOPIPTSA-N 2 1 391.475 3.617 20 5 GHBDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435395491 850462344 /nfs/dbraw/zinc/46/23/44/850462344.db2.gz SXGSVXFQUVKDMV-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000435395491 850462349 /nfs/dbraw/zinc/46/23/49/850462349.db2.gz SXGSVXFQUVKDMV-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330584 857348625 /nfs/dbraw/zinc/34/86/25/857348625.db2.gz IAPHVSGBOIYVTA-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330584 857348635 /nfs/dbraw/zinc/34/86/35/857348635.db2.gz IAPHVSGBOIYVTA-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330584 857348648 /nfs/dbraw/zinc/34/86/48/857348648.db2.gz IAPHVSGBOIYVTA-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330584 857348657 /nfs/dbraw/zinc/34/86/57/857348657.db2.gz IAPHVSGBOIYVTA-ROUUACIJSA-N 2 1 388.512 3.510 20 5 GHBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124246 858572815 /nfs/dbraw/zinc/57/28/15/858572815.db2.gz YBZSLAHFXVKXNN-UWJYYQICSA-N 2 1 396.491 3.644 20 5 GHBDMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160353839 858828097 /nfs/dbraw/zinc/82/80/97/858828097.db2.gz XAVKFPUFIVRHQV-QHCPKHFHSA-N 2 1 396.535 3.973 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170344554 881446278 /nfs/dbraw/zinc/44/62/78/881446278.db2.gz BXVUMZFHYYKKOU-IOMROCGXSA-N 2 1 395.503 3.598 20 5 GHBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602592069 860132930 /nfs/dbraw/zinc/13/29/30/860132930.db2.gz HPNCEZQYFMMGQE-UHFFFAOYSA-N 2 1 397.523 3.589 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154125 866284635 /nfs/dbraw/zinc/28/46/35/866284635.db2.gz PZBYYQOEVRWPED-LSDHHAIUSA-N 2 1 393.447 3.767 20 5 GHBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057482 871142385 /nfs/dbraw/zinc/14/23/85/871142385.db2.gz VXXXPQHEZXLBDV-QAPCUYQASA-N 2 1 385.430 3.705 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000618566800 871725091 /nfs/dbraw/zinc/72/50/91/871725091.db2.gz FBPWGTOZIDTMNK-OWZKRDHZSA-N 2 1 381.476 3.889 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000618566800 871725099 /nfs/dbraw/zinc/72/50/99/871725099.db2.gz FBPWGTOZIDTMNK-OWZKRDHZSA-N 2 1 381.476 3.889 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137233 874277799 /nfs/dbraw/zinc/27/77/99/874277799.db2.gz YRVBCSFCVODTOY-IBGZPJMESA-N 2 1 375.513 3.952 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137233 874277804 /nfs/dbraw/zinc/27/78/04/874277804.db2.gz YRVBCSFCVODTOY-IBGZPJMESA-N 2 1 375.513 3.952 20 5 GHBDMP COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000105442843 884785628 /nfs/dbraw/zinc/78/56/28/884785628.db2.gz VCJBDWWUNZOKLA-CQSZACIVSA-N 2 1 384.436 3.794 20 5 GHBDMP Cc1c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498305 885872000 /nfs/dbraw/zinc/87/20/00/885872000.db2.gz YMNZZDLWMAWORB-RXVVDRJESA-N 2 1 382.508 3.543 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859854 886393266 /nfs/dbraw/zinc/39/32/66/886393266.db2.gz YYRKMMPTLLPAMT-XLIONFOSSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859854 886393282 /nfs/dbraw/zinc/39/32/82/886393282.db2.gz YYRKMMPTLLPAMT-XLIONFOSSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859856 886393555 /nfs/dbraw/zinc/39/35/55/886393555.db2.gz YYRKMMPTLLPAMT-YLJYHZDGSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859856 886393572 /nfs/dbraw/zinc/39/35/72/886393572.db2.gz YYRKMMPTLLPAMT-YLJYHZDGSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774908406 914004352 /nfs/dbraw/zinc/00/43/52/914004352.db2.gz HEBNJZQBKRWKAY-INIZCTEOSA-N 2 1 390.484 3.980 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774908406 914004367 /nfs/dbraw/zinc/00/43/67/914004367.db2.gz HEBNJZQBKRWKAY-INIZCTEOSA-N 2 1 390.484 3.980 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959393 896296555 /nfs/dbraw/zinc/29/65/55/896296555.db2.gz JFDWODLRWPGMSU-VGSWGCGISA-N 2 1 383.492 3.792 20 5 GHBDMP Cc1ccc2c(C[C@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c4c3CC[N@@H+](C)C4)c2c1 ZINC001171169119 901935625 /nfs/dbraw/zinc/93/56/25/901935625.db2.gz YUPKPKIZHWVKMY-HNNXBMFYSA-N 2 1 378.476 3.725 20 5 GHBDMP CN1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CC1 ZINC001116821320 933776596 /nfs/dbraw/zinc/77/65/96/933776596.db2.gz LEFGAABTVVAAGP-QHCPKHFHSA-N 2 1 394.519 3.509 20 5 GHBDMP CC[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC001204769014 1033081581 /nfs/dbraw/zinc/08/15/81/1033081581.db2.gz PHXPHZCBFHNRSV-FQEVSTJZSA-N 2 1 377.554 3.677 20 5 GHBDMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000843054764 1029789323 /nfs/dbraw/zinc/78/93/23/1029789323.db2.gz GMTFESWBSCYVLB-UHFFFAOYSA-N 2 1 399.491 3.884 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246682871 1037546347 /nfs/dbraw/zinc/54/63/47/1037546347.db2.gz OMNDWOYTJFPZBI-AMHTUMDSSA-N 2 1 395.503 3.614 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246684715 1037548586 /nfs/dbraw/zinc/54/85/86/1037548586.db2.gz NVCLSWCAJFUCOC-JRFVFWCSSA-N 2 1 391.515 3.921 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246965315 1037788178 /nfs/dbraw/zinc/78/81/78/1037788178.db2.gz PMAQMLNKNZDUNR-ATZDWAIDSA-N 2 1 375.513 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C1)C2 ZINC001254611115 1040383784 /nfs/dbraw/zinc/38/37/84/1040383784.db2.gz VTQKSDHLIOXPEI-ZFGGDYGUSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C1)C2 ZINC001254611115 1040383805 /nfs/dbraw/zinc/38/38/05/1040383805.db2.gz VTQKSDHLIOXPEI-ZFGGDYGUSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C1)C2 ZINC001254611115 1040383824 /nfs/dbraw/zinc/38/38/24/1040383824.db2.gz VTQKSDHLIOXPEI-ZFGGDYGUSA-N 2 1 391.515 3.906 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cccc1[N+](=O)[O-] ZINC001319762023 1055450706 /nfs/dbraw/zinc/45/07/06/1055450706.db2.gz ARZZFKZVSPKOCX-SFHVURJKSA-N 2 1 382.508 3.501 20 5 GHBDMP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302067417 861194993 /nfs/dbraw/zinc/19/49/93/861194993.db2.gz FOOPMGUDEDDEGJ-LJQANCHMSA-N 2 1 392.459 3.630 20 5 GHBDMP CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc(C[NH+](C)C)cc1 ZINC000599660900 861493616 /nfs/dbraw/zinc/49/36/16/861493616.db2.gz PQRMUUIWZDGVAZ-UHFFFAOYSA-N 2 1 384.480 3.507 20 5 GHBDMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425967928 852174830 /nfs/dbraw/zinc/17/48/30/852174830.db2.gz QNBWVEDJUXJUPE-UHFFFAOYSA-N 2 1 385.512 3.586 20 5 GHBDMP Cc1nn(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764888004 859654128 /nfs/dbraw/zinc/65/41/28/859654128.db2.gz ZIVYJZXUDSPESC-UHFFFAOYSA-N 2 1 385.512 3.798 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154080 866284246 /nfs/dbraw/zinc/28/42/46/866284246.db2.gz PZBYYQOEVRWPED-GJZGRUSLSA-N 2 1 393.447 3.767 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000534347835 866594322 /nfs/dbraw/zinc/59/43/22/866594322.db2.gz YCXMZSFCXVYKEB-UHFFFAOYSA-N 2 1 385.512 3.548 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000442917434 869075053 /nfs/dbraw/zinc/07/50/53/869075053.db2.gz ALLMNSPMPVTHNZ-QGZVFWFLSA-N 2 1 399.491 3.743 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195692 870149917 /nfs/dbraw/zinc/14/99/17/870149917.db2.gz YYINTSOXQQJTKT-APWZRJJASA-N 2 1 399.491 3.755 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195692 870149923 /nfs/dbraw/zinc/14/99/23/870149923.db2.gz YYINTSOXQQJTKT-APWZRJJASA-N 2 1 399.491 3.755 20 5 GHBDMP CC[N+](C)(C)Cc1ccccc1-n1cc(C[C@@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169116293 871202520 /nfs/dbraw/zinc/20/25/20/871202520.db2.gz WXQOQNLHMAOXRN-XMMPIXPASA-N 2 1 394.539 3.660 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590563 878278740 /nfs/dbraw/zinc/27/87/40/878278740.db2.gz DUTSAWXQFGRYGK-XZOQPEGZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590563 878278754 /nfs/dbraw/zinc/27/87/54/878278754.db2.gz DUTSAWXQFGRYGK-XZOQPEGZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000776590563 878278771 /nfs/dbraw/zinc/27/87/71/878278771.db2.gz DUTSAWXQFGRYGK-XZOQPEGZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590563 878278785 /nfs/dbraw/zinc/27/87/85/878278785.db2.gz DUTSAWXQFGRYGK-XZOQPEGZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533271191 890135348 /nfs/dbraw/zinc/13/53/48/890135348.db2.gz HMRONPPVTFSITO-SFHVURJKSA-N 2 1 388.512 3.511 20 5 GHBDMP CCc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873293948 891563494 /nfs/dbraw/zinc/56/34/94/891563494.db2.gz RSEVWCIRFHNHRQ-FPOVZHCZSA-N 2 1 399.491 3.588 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959779 896295588 /nfs/dbraw/zinc/29/55/88/896295588.db2.gz SUDHSEYIDDNHIP-VGSWGCGISA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000819189510 896458836 /nfs/dbraw/zinc/45/88/36/896458836.db2.gz HVJBHYVTCYFKIE-ZWCUEREDSA-N 2 1 383.492 3.519 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])CC2)oc1C ZINC000576715925 902213048 /nfs/dbraw/zinc/21/30/48/902213048.db2.gz NOFCUMPNIGHBNT-IBGZPJMESA-N 2 1 384.480 3.689 20 5 GHBDMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000578655513 904030734 /nfs/dbraw/zinc/03/07/34/904030734.db2.gz JBRXFWGYCKYNIF-UHFFFAOYSA-N 2 1 390.528 3.613 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1)CC(C)C ZINC000578655513 904030748 /nfs/dbraw/zinc/03/07/48/904030748.db2.gz JBRXFWGYCKYNIF-UHFFFAOYSA-N 2 1 390.528 3.613 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906807 905933487 /nfs/dbraw/zinc/93/34/87/905933487.db2.gz OWTNTVUWGCPNIG-VAMGGRTRSA-N 2 1 387.524 3.593 20 5 GHBDMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906605 905933628 /nfs/dbraw/zinc/93/36/28/905933628.db2.gz YPAQJLDVQDCWHI-HXUWFJFHSA-N 2 1 383.467 3.931 20 5 GHBDMP COc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000469768877 930148656 /nfs/dbraw/zinc/14/86/56/930148656.db2.gz MGCHPJDDFKHGBD-IAGOWNOFSA-N 2 1 383.492 3.850 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925808753 931910126 /nfs/dbraw/zinc/91/01/26/931910126.db2.gz OUFRKBBUBPFCPE-HXUWFJFHSA-N 2 1 385.512 3.567 20 5 GHBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000578070843 1020317010 /nfs/dbraw/zinc/31/70/10/1020317010.db2.gz MZLKRJZGWUGAJY-HRAATJIYSA-N 2 1 396.491 3.642 20 5 GHBDMP C[N@@H+]1CCc2c(NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001166910156 1027148474 /nfs/dbraw/zinc/14/84/74/1027148474.db2.gz LFQXYKYGGPOHJK-QFIPXVFZSA-N 2 1 380.492 3.832 20 5 GHBDMP C[N@H+]1CCc2c(NC[C@@H](c3ccccc3)[NH+]3CCCC3)ccc([N+](=O)[O-])c2C1 ZINC001166910156 1027148482 /nfs/dbraw/zinc/14/84/82/1027148482.db2.gz LFQXYKYGGPOHJK-QFIPXVFZSA-N 2 1 380.492 3.832 20 5 GHBDMP [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@H]4CC5CC[NH+]4CC5)c4ccccc43)oc-2c1 ZINC001142632190 1029185462 /nfs/dbraw/zinc/18/54/62/1029185462.db2.gz APVSDSQFSCMDDY-HXUWFJFHSA-N 2 1 398.466 3.988 20 5 GHBDMP C[C@@H]1SCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC001461961626 1069916699 /nfs/dbraw/zinc/91/66/99/1069916699.db2.gz SSLJHDQTHCWUGG-IRXDYDNUSA-N 2 1 377.554 3.675 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608140 1037503627 /nfs/dbraw/zinc/50/36/27/1037503627.db2.gz WMDQVXJLNVZIRT-HRAATJIYSA-N 2 1 393.503 3.919 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608140 1037503638 /nfs/dbraw/zinc/50/36/38/1037503638.db2.gz WMDQVXJLNVZIRT-HRAATJIYSA-N 2 1 393.503 3.919 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001254564747 1040340231 /nfs/dbraw/zinc/34/02/31/1040340231.db2.gz MTYGLWQRLRBRAE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001254564747 1040340246 /nfs/dbraw/zinc/34/02/46/1040340246.db2.gz MTYGLWQRLRBRAE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001254564747 1040340262 /nfs/dbraw/zinc/34/02/62/1040340262.db2.gz MTYGLWQRLRBRAE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001254564747 1040340272 /nfs/dbraw/zinc/34/02/72/1040340272.db2.gz MTYGLWQRLRBRAE-COPCDDAFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[NH+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001324150536 1057079501 /nfs/dbraw/zinc/07/95/01/1057079501.db2.gz KDQFURMIWIKUJQ-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1Br ZINC000849350859 1067817365 /nfs/dbraw/zinc/81/73/65/1067817365.db2.gz ZCFUDHMTPBIMQS-OAHLLOKOSA-N 2 1 382.302 3.569 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000580289882 837327296 /nfs/dbraw/zinc/32/72/96/837327296.db2.gz IRDGXGDOOBLVQH-NRFANRHFSA-N 2 1 383.492 3.864 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000580289882 837327301 /nfs/dbraw/zinc/32/73/01/837327301.db2.gz IRDGXGDOOBLVQH-NRFANRHFSA-N 2 1 383.492 3.864 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311728 839229597 /nfs/dbraw/zinc/22/95/97/839229597.db2.gz OZSQZUAVOVBSJK-APWZRJJASA-N 2 1 399.491 3.742 20 5 GHBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298304 843984770 /nfs/dbraw/zinc/98/47/70/843984770.db2.gz YWXLJMXIXAYCDC-HBMCJLEFSA-N 2 1 387.524 3.675 20 5 GHBDMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000236919705 844637715 /nfs/dbraw/zinc/63/77/15/844637715.db2.gz MYBDZPZLPDSYMP-UHFFFAOYSA-N 2 1 399.491 3.756 20 5 GHBDMP COc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000237110339 847285281 /nfs/dbraw/zinc/28/52/81/847285281.db2.gz YZPAUSDFSBMOAV-UHFFFAOYSA-N 2 1 387.480 3.742 20 5 GHBDMP COc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)c([N+](=O)[O-])cc1OC ZINC000237110339 847285290 /nfs/dbraw/zinc/28/52/90/847285290.db2.gz YZPAUSDFSBMOAV-UHFFFAOYSA-N 2 1 387.480 3.742 20 5 GHBDMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000592427586 857401962 /nfs/dbraw/zinc/40/19/62/857401962.db2.gz FHVYLDKYGWTZDS-UYAOXDASSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000592427586 857401968 /nfs/dbraw/zinc/40/19/68/857401968.db2.gz FHVYLDKYGWTZDS-UYAOXDASSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160321854 858809860 /nfs/dbraw/zinc/80/98/60/858809860.db2.gz ISAHDTIIMVFUKU-QHCPKHFHSA-N 2 1 396.535 3.973 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345201 881468076 /nfs/dbraw/zinc/46/80/76/881468076.db2.gz HXGFHEUOWJUBST-HKUYNNGSSA-N 2 1 375.513 3.875 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345201 881468144 /nfs/dbraw/zinc/46/81/44/881468144.db2.gz HXGFHEUOWJUBST-HKUYNNGSSA-N 2 1 375.513 3.875 20 5 GHBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919986 863372707 /nfs/dbraw/zinc/37/27/07/863372707.db2.gz CUGRZIFFSFUPEO-APWZRJJASA-N 2 1 391.475 3.759 20 5 GHBDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919986 863372718 /nfs/dbraw/zinc/37/27/18/863372718.db2.gz CUGRZIFFSFUPEO-APWZRJJASA-N 2 1 391.475 3.759 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154103 866284530 /nfs/dbraw/zinc/28/45/30/866284530.db2.gz PZBYYQOEVRWPED-HUUCEWRRSA-N 2 1 393.447 3.767 20 5 GHBDMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182250519 872103976 /nfs/dbraw/zinc/10/39/76/872103976.db2.gz MWPZELLFOPTYFS-YADHBBJMSA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000070870135 873061355 /nfs/dbraw/zinc/06/13/55/873061355.db2.gz OSLZSXOXGIEIIH-QGZVFWFLSA-N 2 1 396.491 3.698 20 5 GHBDMP CN1CCN(c2cc(Nc3ccc4cc5ccc(N)cc5[nH+]c4c3)cc[nH+]2)CC1 ZINC001201666895 875804636 /nfs/dbraw/zinc/80/46/36/875804636.db2.gz HUYYVGNJUNHZNN-UHFFFAOYSA-N 2 1 384.487 3.861 20 5 GHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000111386076 879082388 /nfs/dbraw/zinc/08/23/88/879082388.db2.gz RSMHEVZHBLGAAL-INIZCTEOSA-N 2 1 389.521 3.650 20 5 GHBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214927 883669185 /nfs/dbraw/zinc/66/91/85/883669185.db2.gz RFJOGTMWABHKKK-HNNXBMFYSA-N 2 1 395.463 3.899 20 5 GHBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214927 883669188 /nfs/dbraw/zinc/66/91/88/883669188.db2.gz RFJOGTMWABHKKK-HNNXBMFYSA-N 2 1 395.463 3.899 20 5 GHBDMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565424 887777336 /nfs/dbraw/zinc/77/73/36/887777336.db2.gz UWLNBNOUNBZMNN-PXNSSMCTSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565424 887777349 /nfs/dbraw/zinc/77/73/49/887777349.db2.gz UWLNBNOUNBZMNN-PXNSSMCTSA-N 2 1 385.512 3.519 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)o2)c1 ZINC000173600777 889996708 /nfs/dbraw/zinc/99/67/08/889996708.db2.gz YKUKBEZRTDDRCM-KRWDZBQOSA-N 2 1 384.480 3.600 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959391 896296375 /nfs/dbraw/zinc/29/63/75/896296375.db2.gz JFDWODLRWPGMSU-JTSKRJEESA-N 2 1 383.492 3.792 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000134868310 903584724 /nfs/dbraw/zinc/58/47/24/903584724.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000134868310 903584733 /nfs/dbraw/zinc/58/47/33/903584733.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000134868310 903584745 /nfs/dbraw/zinc/58/47/45/903584745.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000134868310 903584759 /nfs/dbraw/zinc/58/47/59/903584759.db2.gz CRRFDYTYPHOOLZ-XLIONFOSSA-N 2 1 396.491 3.741 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223672 906306025 /nfs/dbraw/zinc/30/60/25/906306025.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223672 906306031 /nfs/dbraw/zinc/30/60/31/906306031.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223672 906306038 /nfs/dbraw/zinc/30/60/38/906306038.db2.gz GMCAQLPFJNDCBE-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781424790 930839942 /nfs/dbraw/zinc/83/99/42/930839942.db2.gz DFORYHOVZJSMGB-ROUUACIJSA-N 2 1 386.540 3.806 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000781423397 930840251 /nfs/dbraw/zinc/84/02/51/930840251.db2.gz PSQXXILWLZKXGY-JMJGKCIBSA-N 2 1 395.503 3.519 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000468655621 1015877109 /nfs/dbraw/zinc/87/71/09/1015877109.db2.gz MWVPUVDTHNKDQB-QGOAFFKASA-N 2 1 381.476 3.620 20 5 GHBDMP CC[N@H+](Cc1ccccn1)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001204881976 1033143932 /nfs/dbraw/zinc/14/39/32/1033143932.db2.gz XURPCOPVPJMIGA-UHFFFAOYSA-N 2 1 382.508 3.766 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158521899 1034125821 /nfs/dbraw/zinc/12/58/21/1034125821.db2.gz QDWNOSZEYJCJBD-NDZBKKTDSA-N 2 1 395.507 3.621 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158521899 1034125829 /nfs/dbraw/zinc/12/58/29/1034125829.db2.gz QDWNOSZEYJCJBD-NDZBKKTDSA-N 2 1 395.507 3.621 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC1)[NH2+]CCc1ccccc13)CC2 ZINC001247002201 1037827456 /nfs/dbraw/zinc/82/74/56/1037827456.db2.gz LMNWYZUUPJFFJC-OAQYLSRUSA-N 2 1 391.515 3.979 20 5 GHBDMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC001307982148 1049738583 /nfs/dbraw/zinc/73/85/83/1049738583.db2.gz JXVSLINQQUKKDW-UHFFFAOYSA-N 2 1 388.512 3.572 20 5 GHBDMP COc1ccc(OCC[N@@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001460626538 1069040281 /nfs/dbraw/zinc/04/02/81/1069040281.db2.gz MYMRRBJOXDXVKA-SFHVURJKSA-N 2 1 391.512 3.569 20 5 GHBDMP COc1ccc(OCC[N@H+]2CCC[C@H]2CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001460626538 1069040293 /nfs/dbraw/zinc/04/02/93/1069040293.db2.gz MYMRRBJOXDXVKA-SFHVURJKSA-N 2 1 391.512 3.569 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000246911397 836262957 /nfs/dbraw/zinc/26/29/57/836262957.db2.gz GGXNMMFKSAORBF-FUHWJXTLSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000246911397 836262975 /nfs/dbraw/zinc/26/29/75/836262975.db2.gz GGXNMMFKSAORBF-FUHWJXTLSA-N 2 1 383.492 3.975 20 5 GHBDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCO1 ZINC000415108540 839218092 /nfs/dbraw/zinc/21/80/92/839218092.db2.gz MKFMIBNKMPQOQB-QGZVFWFLSA-N 2 1 391.855 3.590 20 5 GHBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCO1 ZINC000415108540 839218103 /nfs/dbraw/zinc/21/81/03/839218103.db2.gz MKFMIBNKMPQOQB-QGZVFWFLSA-N 2 1 391.855 3.590 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])cc1 ZINC000541951398 841990160 /nfs/dbraw/zinc/99/01/60/841990160.db2.gz CZOZJZJTYIARJK-HNNXBMFYSA-N 2 1 393.447 3.687 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432674648 843417710 /nfs/dbraw/zinc/41/77/10/843417710.db2.gz CRAFZQIARVISEK-IBGZPJMESA-N 2 1 387.505 3.809 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432674648 843417714 /nfs/dbraw/zinc/41/77/14/843417714.db2.gz CRAFZQIARVISEK-IBGZPJMESA-N 2 1 387.505 3.809 20 5 GHBDMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433147840 845505882 /nfs/dbraw/zinc/50/58/82/845505882.db2.gz DUJAZUNPSPMXMU-JOCHJYFZSA-N 2 1 395.503 3.939 20 5 GHBDMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374819 850422107 /nfs/dbraw/zinc/42/21/07/850422107.db2.gz YSJPSFPVNYTJNK-IAGOWNOFSA-N 2 1 391.475 3.617 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000489143242 852045323 /nfs/dbraw/zinc/04/53/23/852045323.db2.gz XVLXWPWNNDMAEM-FGTMMUONSA-N 2 1 375.513 3.785 20 5 GHBDMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427681 857403127 /nfs/dbraw/zinc/40/31/27/857403127.db2.gz PVVWXYAEQXLWNC-APWZRJJASA-N 2 1 399.491 3.742 20 5 GHBDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)s1)CCO2 ZINC000592525623 857672315 /nfs/dbraw/zinc/67/23/15/857672315.db2.gz BHVVIIAHVPRFRB-UHFFFAOYSA-N 2 1 387.505 3.620 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934332 857795453 /nfs/dbraw/zinc/79/54/53/857795453.db2.gz HRHOPULBMGMHIF-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934332 857795455 /nfs/dbraw/zinc/79/54/55/857795455.db2.gz HRHOPULBMGMHIF-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934332 857795461 /nfs/dbraw/zinc/79/54/61/857795461.db2.gz HRHOPULBMGMHIF-QZTJIDSGSA-N 2 1 388.512 3.510 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000595000175 858362498 /nfs/dbraw/zinc/36/24/98/858362498.db2.gz JPVQLUYAGZESEN-HXUWFJFHSA-N 2 1 395.503 3.995 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552960 881377097 /nfs/dbraw/zinc/37/70/97/881377097.db2.gz IZWMEJULVIYVLB-LHFJYWTJSA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552960 881377160 /nfs/dbraw/zinc/37/71/60/881377160.db2.gz IZWMEJULVIYVLB-LHFJYWTJSA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552960 881377171 /nfs/dbraw/zinc/37/71/71/881377171.db2.gz IZWMEJULVIYVLB-LHFJYWTJSA-N 2 1 396.491 3.608 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000126701083 861125957 /nfs/dbraw/zinc/12/59/57/861125957.db2.gz NTVBDIOFTFMFDB-GOSISDBHSA-N 2 1 382.508 3.501 20 5 GHBDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000126721648 861133201 /nfs/dbraw/zinc/13/32/01/861133201.db2.gz JMLSIYQEIPOQQL-JOCHJYFZSA-N 2 1 382.508 3.583 20 5 GHBDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000120795760 881758081 /nfs/dbraw/zinc/75/80/81/881758081.db2.gz ZCKICOIANRXUKA-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183678588 867199931 /nfs/dbraw/zinc/19/99/31/867199931.db2.gz RISITATZQOXWLN-HNNXBMFYSA-N 2 1 393.447 3.768 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000538749588 870559272 /nfs/dbraw/zinc/55/92/72/870559272.db2.gz VRGKXIYQUKCEKJ-IBGZPJMESA-N 2 1 387.480 3.788 20 5 GHBDMP C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[NH+](C)C ZINC000491599738 875833245 /nfs/dbraw/zinc/83/32/45/875833245.db2.gz UXGDZWCFWHJJLX-LBPRGKRZSA-N 2 1 396.285 3.905 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000618570493 879881648 /nfs/dbraw/zinc/88/16/48/879881648.db2.gz KCCPMSOZHFQCGS-PWRODBHTSA-N 2 1 397.523 3.777 20 5 GHBDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000192706040 883801663 /nfs/dbraw/zinc/80/16/63/883801663.db2.gz BPERETRXBTWORX-HSZRJFAPSA-N 2 1 394.519 3.509 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000153481119 885817460 /nfs/dbraw/zinc/81/74/60/885817460.db2.gz RTCGHNFORIFUGY-MSOLQXFVSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1cccc(N2CCC([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)[nH+]1 ZINC000497403486 891510231 /nfs/dbraw/zinc/51/02/31/891510231.db2.gz HNVSYNVPEVWHDM-HXUWFJFHSA-N 2 1 380.492 3.878 20 5 GHBDMP CCCC[N@H+](CC)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012760 906090736 /nfs/dbraw/zinc/09/07/36/906090736.db2.gz ZALJMTFAZMWYHQ-UHFFFAOYSA-N 2 1 384.471 3.553 20 5 GHBDMP CCCC[N@@H+](CC)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012760 906090756 /nfs/dbraw/zinc/09/07/56/906090756.db2.gz ZALJMTFAZMWYHQ-UHFFFAOYSA-N 2 1 384.471 3.553 20 5 GHBDMP CC1(C)C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)CO1 ZINC001180120254 909970171 /nfs/dbraw/zinc/97/01/71/909970171.db2.gz GKOTWFOICKIVIY-UHFFFAOYSA-N 2 1 389.540 3.739 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903253141 922884391 /nfs/dbraw/zinc/88/43/91/922884391.db2.gz ITCDIHWATBQDHE-JGBTYHIZSA-N 2 1 397.523 3.804 20 5 GHBDMP CC(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001461432718 1069546893 /nfs/dbraw/zinc/54/68/93/1069546893.db2.gz RVGILWJEHRIAPD-HXUWFJFHSA-N 2 1 383.492 3.575 20 5 GHBDMP C[NH+](C)/C=C/c1cc(-n2cc(C(C)(C)C[NH3+])c3ccccc32)ncc1[N+](=O)[O-] ZINC001160844972 1035078667 /nfs/dbraw/zinc/07/86/67/1035078667.db2.gz FUMYDBZEZKRZES-MDZDMXLPSA-N 2 1 379.464 3.702 20 5 GHBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001462000575 1069937774 /nfs/dbraw/zinc/93/77/74/1069937774.db2.gz WEZDFHQXEXITQR-AVRDEDQJSA-N 2 1 397.519 3.662 20 5 GHBDMP Cc1cc(F)cc(C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c1 ZINC001246952012 1037756777 /nfs/dbraw/zinc/75/67/77/1037756777.db2.gz QJFTWLRERMISGJ-JOCHJYFZSA-N 2 1 383.467 3.764 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563401 1040337241 /nfs/dbraw/zinc/33/72/41/1040337241.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563401 1040337252 /nfs/dbraw/zinc/33/72/52/1040337252.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563401 1040337263 /nfs/dbraw/zinc/33/72/63/1040337263.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563401 1040337287 /nfs/dbraw/zinc/33/72/87/1040337287.db2.gz ZWJPSXGFMQNRNC-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCC12C[NH2+]C2 ZINC001237428735 1042204261 /nfs/dbraw/zinc/20/42/61/1042204261.db2.gz CKGXEPKGIOILLF-QHCPKHFHSA-N 2 1 388.511 3.968 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001322643750 1056783126 /nfs/dbraw/zinc/78/31/26/1056783126.db2.gz TXDVACFXQPWBAP-SFHVURJKSA-N 2 1 382.508 3.501 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC001355372343 1057135653 /nfs/dbraw/zinc/13/56/53/1057135653.db2.gz BBLJRIAJQGPFQH-LZLYRXPVSA-N 2 1 386.521 3.880 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000160352755 838737421 /nfs/dbraw/zinc/73/74/21/838737421.db2.gz WVMHTDAWUPTZFS-IBGZPJMESA-N 2 1 396.535 3.892 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414932857 839002334 /nfs/dbraw/zinc/00/23/34/839002334.db2.gz WCHLBNITBXHPRJ-QZTJIDSGSA-N 2 1 385.464 3.542 20 5 GHBDMP Cc1cc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302067415 861192272 /nfs/dbraw/zinc/19/22/72/861192272.db2.gz FOOPMGUDEDDEGJ-IBGZPJMESA-N 2 1 392.459 3.630 20 5 GHBDMP C[C@H]([NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1C[NH2+]C1 ZINC000422915457 847886800 /nfs/dbraw/zinc/88/68/00/847886800.db2.gz YJCMFZGVLUPMOO-NSHDSACASA-N 2 1 379.819 3.877 20 5 GHBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374644 850422268 /nfs/dbraw/zinc/42/22/68/850422268.db2.gz JEPVPPBCGOQDHQ-NEPJUHHUSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000151353823 852980179 /nfs/dbraw/zinc/98/01/79/852980179.db2.gz MUZQLWPTLKSKDJ-OAHLLOKOSA-N 2 1 389.521 3.821 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248452512 856681685 /nfs/dbraw/zinc/68/16/85/856681685.db2.gz PVKAOLXDCZFAAU-UWJYYQICSA-N 2 1 383.492 3.711 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000594489924 858189417 /nfs/dbraw/zinc/18/94/17/858189417.db2.gz HUPRYBACTCZTAK-HYFFOGBASA-N 2 1 395.503 3.981 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)s2)cc1 ZINC000594992482 858359536 /nfs/dbraw/zinc/35/95/36/858359536.db2.gz FODDZSSCBFSBOU-SFHVURJKSA-N 2 1 387.505 3.666 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000160359769 858845465 /nfs/dbraw/zinc/84/54/65/858845465.db2.gz XWWVRPTVRNCRDT-GOSISDBHSA-N 2 1 382.508 3.583 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000593314719 859380115 /nfs/dbraw/zinc/38/01/15/859380115.db2.gz GKWHSECLDRJTPJ-MRUHUIDDSA-N 2 1 385.464 3.573 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000593323748 859406943 /nfs/dbraw/zinc/40/69/43/859406943.db2.gz WGYPKTRQAMNELW-PBEJRMEISA-N 2 1 385.464 3.716 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593071 881566914 /nfs/dbraw/zinc/56/69/14/881566914.db2.gz ZIBRFOSCTRTZRQ-APWZRJJASA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593071 881566921 /nfs/dbraw/zinc/56/69/21/881566921.db2.gz ZIBRFOSCTRTZRQ-APWZRJJASA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593071 881566924 /nfs/dbraw/zinc/56/69/24/881566924.db2.gz ZIBRFOSCTRTZRQ-APWZRJJASA-N 2 1 384.480 3.656 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000183680559 867199454 /nfs/dbraw/zinc/19/94/54/867199454.db2.gz VMEZCGSGYQGMND-HNNXBMFYSA-N 2 1 393.447 3.687 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195490 870148570 /nfs/dbraw/zinc/14/85/70/870148570.db2.gz FEWWRCFGJRDCAV-QFBILLFUSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195490 870148580 /nfs/dbraw/zinc/14/85/80/870148580.db2.gz FEWWRCFGJRDCAV-QFBILLFUSA-N 2 1 399.491 3.755 20 5 GHBDMP CC[N+](C)(C)Cc1ccccc1-n1cc(C[C@](C)([NH3+])C(=O)OC)c2ccccc21 ZINC001169116289 871202887 /nfs/dbraw/zinc/20/28/87/871202887.db2.gz WXQOQNLHMAOXRN-DEOSSOPVSA-N 2 1 394.539 3.660 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000447562471 871866189 /nfs/dbraw/zinc/86/61/89/871866189.db2.gz LSRDMOHHQBOVOU-NHCUHLMSSA-N 2 1 397.523 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)s2)cc1 ZINC000111386081 879082448 /nfs/dbraw/zinc/08/24/48/879082448.db2.gz MCHVYGRXAMNMHG-GOSISDBHSA-N 2 1 389.521 3.650 20 5 GHBDMP C[NH+](C)CCCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774640306 912585717 /nfs/dbraw/zinc/58/57/17/912585717.db2.gz QOEQGCCLTXPUKZ-UHFFFAOYSA-N 2 1 379.892 3.609 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532441960 885453238 /nfs/dbraw/zinc/45/32/38/885453238.db2.gz OIAKPBDYVBSFFG-QFBILLFUSA-N 2 1 388.537 3.604 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000763210377 888304666 /nfs/dbraw/zinc/30/46/66/888304666.db2.gz LOPQDRHPALJGLO-QGZVFWFLSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000763210377 888304676 /nfs/dbraw/zinc/30/46/76/888304676.db2.gz LOPQDRHPALJGLO-QGZVFWFLSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876932549 893393318 /nfs/dbraw/zinc/39/33/18/893393318.db2.gz PBNZASUMJSASLM-PBPGXSGUSA-N 2 1 383.496 3.659 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CC[NH+](C)C)c2ccccc2)c1F ZINC001173178248 906256928 /nfs/dbraw/zinc/25/69/28/906256928.db2.gz KMPNUGPSCMIMMT-YJBOKZPZSA-N 2 1 389.471 3.956 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246673069 1037537735 /nfs/dbraw/zinc/53/77/35/1037537735.db2.gz NVCLSWCAJFUCOC-QPTUXGOLSA-N 2 1 391.515 3.921 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586457 1040359660 /nfs/dbraw/zinc/35/96/60/1040359660.db2.gz JPRJRTPHUSPZSR-ONTIZHBOSA-N 2 1 383.467 3.973 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C1)C2 ZINC001254611112 1040383661 /nfs/dbraw/zinc/38/36/61/1040383661.db2.gz VTQKSDHLIOXPEI-AWRGLXIESA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3C1)C2 ZINC001254611112 1040383676 /nfs/dbraw/zinc/38/36/76/1040383676.db2.gz VTQKSDHLIOXPEI-AWRGLXIESA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3C1)C2 ZINC001254611112 1040383691 /nfs/dbraw/zinc/38/36/91/1040383691.db2.gz VTQKSDHLIOXPEI-AWRGLXIESA-N 2 1 391.515 3.906 20 5 GHBDMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC001460599290 1069018336 /nfs/dbraw/zinc/01/83/36/1069018336.db2.gz BHPKJEQFUWBNPE-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414948477 839011479 /nfs/dbraw/zinc/01/14/79/839011479.db2.gz YNZCBOKNNQZXHZ-BDJLRTHQSA-N 2 1 394.269 3.705 20 5 GHBDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]1 ZINC000414955392 839015897 /nfs/dbraw/zinc/01/58/97/839015897.db2.gz UGCBAAGNFIBORB-RYUDHWBXSA-N 2 1 394.269 3.847 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311731 839229472 /nfs/dbraw/zinc/22/94/72/839229472.db2.gz OZSQZUAVOVBSJK-VQIMIIECSA-N 2 1 399.491 3.742 20 5 GHBDMP Cn1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086226 844503045 /nfs/dbraw/zinc/50/30/45/844503045.db2.gz ODPLVABXHIEHIR-UHFFFAOYSA-N 2 1 385.512 3.740 20 5 GHBDMP Cn1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086226 844503053 /nfs/dbraw/zinc/50/30/53/844503053.db2.gz ODPLVABXHIEHIR-UHFFFAOYSA-N 2 1 385.512 3.740 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000611812381 848261349 /nfs/dbraw/zinc/26/13/49/848261349.db2.gz LQAGSXHBGITTQV-UHFFFAOYSA-N 2 1 390.528 3.676 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000153474834 856622650 /nfs/dbraw/zinc/62/26/50/856622650.db2.gz ZPCGQRRHGNBSRJ-MSOLQXFVSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000153474834 856622658 /nfs/dbraw/zinc/62/26/58/856622658.db2.gz ZPCGQRRHGNBSRJ-MSOLQXFVSA-N 2 1 383.492 3.975 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000595009203 858365191 /nfs/dbraw/zinc/36/51/91/858365191.db2.gz BCXLTILIYHQWSP-IEBWSBKVSA-N 2 1 383.492 3.819 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009203 858365194 /nfs/dbraw/zinc/36/51/94/858365194.db2.gz BCXLTILIYHQWSP-IEBWSBKVSA-N 2 1 383.492 3.819 20 5 GHBDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000597248480 859392937 /nfs/dbraw/zinc/39/29/37/859392937.db2.gz XQUWZEOIZVSTOC-GOSISDBHSA-N 2 1 389.521 3.866 20 5 GHBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000597248480 859392945 /nfs/dbraw/zinc/39/29/45/859392945.db2.gz XQUWZEOIZVSTOC-GOSISDBHSA-N 2 1 389.521 3.866 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)c1 ZINC000121681795 870308225 /nfs/dbraw/zinc/30/82/25/870308225.db2.gz GAGMSTWAVVKPES-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)nc2c1 ZINC000282022191 873722681 /nfs/dbraw/zinc/72/26/81/873722681.db2.gz KIRORIFSQWRJSQ-CQSZACIVSA-N 2 1 381.436 3.648 20 5 GHBDMP O=[N+]([O-])c1ccc2oc(CN3CCC[C@@H](c4ncc5n4CCCC5)C3)nc2c1 ZINC000282022191 873722688 /nfs/dbraw/zinc/72/26/88/873722688.db2.gz KIRORIFSQWRJSQ-CQSZACIVSA-N 2 1 381.436 3.648 20 5 GHBDMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000271908723 875967144 /nfs/dbraw/zinc/96/71/44/875967144.db2.gz RPYHKRKSBWTCHD-UHFFFAOYSA-N 2 1 397.475 3.534 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859847 886393164 /nfs/dbraw/zinc/39/31/64/886393164.db2.gz YYRKMMPTLLPAMT-FXAWDEMLSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859847 886393179 /nfs/dbraw/zinc/39/31/79/886393179.db2.gz YYRKMMPTLLPAMT-FXAWDEMLSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565427 887777614 /nfs/dbraw/zinc/77/76/14/887777614.db2.gz UWLNBNOUNBZMNN-XLIONFOSSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565427 887777627 /nfs/dbraw/zinc/77/76/27/887777627.db2.gz UWLNBNOUNBZMNN-XLIONFOSSA-N 2 1 385.512 3.519 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000814640092 893030209 /nfs/dbraw/zinc/03/02/09/893030209.db2.gz RHEXOFJPCDVQGU-QFIPXVFZSA-N 2 1 395.503 3.616 20 5 GHBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877053941 893459818 /nfs/dbraw/zinc/45/98/18/893459818.db2.gz BJXXZBKACGVJRU-UHFFFAOYSA-N 2 1 395.463 3.510 20 5 GHBDMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 ZINC000572167424 900085154 /nfs/dbraw/zinc/08/51/54/900085154.db2.gz FITOOAYZBKFCHX-QGZVFWFLSA-N 2 1 386.521 3.882 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C1)CC2 ZINC001172906660 905931873 /nfs/dbraw/zinc/93/18/73/905931873.db2.gz XUOGTISWWGYANW-SLFFLAALSA-N 2 1 397.544 3.968 20 5 GHBDMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913976 905984151 /nfs/dbraw/zinc/98/41/51/905984151.db2.gz WTJMIKVEMXOLQZ-IBGZPJMESA-N 2 1 380.492 3.804 20 5 GHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cc([N+](=O)[O-])cc1F ZINC000749322183 927053248 /nfs/dbraw/zinc/05/32/48/927053248.db2.gz WSAGTMNGMLRIBZ-UHFFFAOYSA-N 2 1 396.482 3.506 20 5 GHBDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837609 929488480 /nfs/dbraw/zinc/48/84/80/929488480.db2.gz DMJCALWIZDFXML-GCJKJVERSA-N 2 1 382.508 3.624 20 5 GHBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000578070845 1020317418 /nfs/dbraw/zinc/31/74/18/1020317418.db2.gz MZLKRJZGWUGAJY-IIBYNOLFSA-N 2 1 396.491 3.642 20 5 GHBDMP CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461119406 1069400119 /nfs/dbraw/zinc/40/01/19/1069400119.db2.gz FUTGMNDIXMKRDN-IBGZPJMESA-N 2 1 383.492 3.995 20 5 GHBDMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000843054800 1029789807 /nfs/dbraw/zinc/78/98/07/1029789807.db2.gz ILCDSKDSQHHCRH-UHFFFAOYSA-N 2 1 399.491 3.884 20 5 GHBDMP CC[C@H](CSC)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462196852 1070073236 /nfs/dbraw/zinc/07/32/36/1070073236.db2.gz ADCYBVYNORMUOA-LJQANCHMSA-N 2 1 379.570 3.923 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)CC2 ZINC001246861268 1037681002 /nfs/dbraw/zinc/68/10/02/1037681002.db2.gz OMNSIWDFMLXDOV-OAQYLSRUSA-N 2 1 391.515 3.979 20 5 GHBDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001307163404 1049112124 /nfs/dbraw/zinc/11/21/24/1049112124.db2.gz SWABHMIRZMZCPR-UHFFFAOYSA-N 2 1 382.814 3.562 20 5 GHBDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC001307163404 1049112131 /nfs/dbraw/zinc/11/21/31/1049112131.db2.gz SWABHMIRZMZCPR-UHFFFAOYSA-N 2 1 382.814 3.562 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001167322539 838307768 /nfs/dbraw/zinc/30/77/68/838307768.db2.gz YKSTUEHHBZUTMZ-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001167322539 838307779 /nfs/dbraw/zinc/30/77/79/838307779.db2.gz YKSTUEHHBZUTMZ-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415051609 839121932 /nfs/dbraw/zinc/12/19/32/839121932.db2.gz GLAVQTBGAPMBGH-HXUWFJFHSA-N 2 1 387.480 3.645 20 5 GHBDMP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000415124414 839245654 /nfs/dbraw/zinc/24/56/54/839245654.db2.gz CCDROZSFOVEUEM-UHFFFAOYSA-N 2 1 382.258 3.659 20 5 GHBDMP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000415124414 839245668 /nfs/dbraw/zinc/24/56/68/839245668.db2.gz CCDROZSFOVEUEM-UHFFFAOYSA-N 2 1 382.258 3.659 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCC2 ZINC000417328571 840714665 /nfs/dbraw/zinc/71/46/65/840714665.db2.gz GTCUMZPPJISELG-JTHBVZDNSA-N 2 1 395.503 3.719 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000126312720 840921965 /nfs/dbraw/zinc/92/19/65/840921965.db2.gz DGNVQWJGGJSJAO-LJQANCHMSA-N 2 1 377.448 3.595 20 5 GHBDMP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000126706721 841878854 /nfs/dbraw/zinc/87/88/54/841878854.db2.gz JOVLSUPITNXPQT-HSZRJFAPSA-N 2 1 396.535 3.973 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433147488 845500625 /nfs/dbraw/zinc/50/06/25/845500625.db2.gz OUAKNUCWCHARBG-GQIGUUNPSA-N 2 1 375.513 3.796 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000433147494 845501302 /nfs/dbraw/zinc/50/13/02/845501302.db2.gz OUAKNUCWCHARBG-YRNRMSPPSA-N 2 1 375.513 3.796 20 5 GHBDMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435396220 850479544 /nfs/dbraw/zinc/47/95/44/850479544.db2.gz XDBFBINOMQTLNF-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000435396220 850479553 /nfs/dbraw/zinc/47/95/53/850479553.db2.gz XDBFBINOMQTLNF-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330574 857348536 /nfs/dbraw/zinc/34/85/36/857348536.db2.gz IAPHVSGBOIYVTA-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330574 857348544 /nfs/dbraw/zinc/34/85/44/857348544.db2.gz IAPHVSGBOIYVTA-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330574 857348559 /nfs/dbraw/zinc/34/85/59/857348559.db2.gz IAPHVSGBOIYVTA-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000246330574 857348569 /nfs/dbraw/zinc/34/85/69/857348569.db2.gz IAPHVSGBOIYVTA-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934637 857795419 /nfs/dbraw/zinc/79/54/19/857795419.db2.gz IAPHVSGBOIYVTA-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934637 857795425 /nfs/dbraw/zinc/79/54/25/857795425.db2.gz IAPHVSGBOIYVTA-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934637 857795430 /nfs/dbraw/zinc/79/54/30/857795430.db2.gz IAPHVSGBOIYVTA-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000113934637 857795435 /nfs/dbraw/zinc/79/54/35/857795435.db2.gz IAPHVSGBOIYVTA-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170314327 881346314 /nfs/dbraw/zinc/34/63/14/881346314.db2.gz URXRNDWHWJHSIT-GOSISDBHSA-N 2 1 397.519 3.831 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000160426851 858897598 /nfs/dbraw/zinc/89/75/98/858897598.db2.gz ZJLHJCLHAKBVLX-QFIPXVFZSA-N 2 1 395.503 3.538 20 5 GHBDMP CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029857 865905871 /nfs/dbraw/zinc/90/58/71/865905871.db2.gz TVPCTSLLKDKREI-UHFFFAOYSA-N 2 1 398.507 3.816 20 5 GHBDMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000069833355 871598397 /nfs/dbraw/zinc/59/83/97/871598397.db2.gz ALYLGPWCBNRUCV-HDICACEKSA-N 2 1 383.492 3.802 20 5 GHBDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447544173 871818204 /nfs/dbraw/zinc/81/82/04/871818204.db2.gz UMOLUVVOOKELAR-SFTDATJTSA-N 2 1 397.523 3.838 20 5 GHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599578 874295563 /nfs/dbraw/zinc/29/55/63/874295563.db2.gz DLNALGGKAUSCHU-QGZVFWFLSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000876932468 893393465 /nfs/dbraw/zinc/39/34/65/893393465.db2.gz MXLMCKYAQOYQAL-DZIBYMRMSA-N 2 1 383.496 3.517 20 5 GHBDMP CC[N@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058936 894812926 /nfs/dbraw/zinc/81/29/26/894812926.db2.gz YJBODYFYPAFULU-UHFFFAOYSA-N 2 1 395.463 3.729 20 5 GHBDMP CC[N@@H+](Cc1nnc(-c2ccccc2[N+](=O)[O-])o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058936 894812937 /nfs/dbraw/zinc/81/29/37/894812937.db2.gz YJBODYFYPAFULU-UHFFFAOYSA-N 2 1 395.463 3.729 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317636 /nfs/dbraw/zinc/31/76/36/906317636.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317653 /nfs/dbraw/zinc/31/76/53/906317653.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233281 906317657 /nfs/dbraw/zinc/31/76/57/906317657.db2.gz VDMFDSXPARMPBE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513885 933304364 /nfs/dbraw/zinc/30/43/64/933304364.db2.gz JQHUJZJPZSYDTH-OPYAIIAOSA-N 2 1 399.539 3.765 20 5 GHBDMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000560524883 933310865 /nfs/dbraw/zinc/31/08/65/933310865.db2.gz BOVXNLLGRXNCEY-NRFANRHFSA-N 2 1 399.539 3.765 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468597608 1015833598 /nfs/dbraw/zinc/83/35/98/1015833598.db2.gz DTADXDVGZJAGNL-SJQUQUAPSA-N 2 1 395.503 3.745 20 5 GHBDMP Cc1cccc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001162933511 1025971068 /nfs/dbraw/zinc/97/10/68/1025971068.db2.gz DBBTWEGRNJWFCJ-HXUWFJFHSA-N 2 1 394.519 3.817 20 5 GHBDMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC001461831305 1069777883 /nfs/dbraw/zinc/77/78/83/1069777883.db2.gz PNLBIKDOXJDOID-AFAVFJNCSA-N 2 1 375.856 3.938 20 5 GHBDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC001461831305 1069777897 /nfs/dbraw/zinc/77/78/97/1069777897.db2.gz PNLBIKDOXJDOID-AFAVFJNCSA-N 2 1 375.856 3.938 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(c3ccccc3)CC[NH2+]CC2)c1F ZINC001246427127 1037384092 /nfs/dbraw/zinc/38/40/92/1037384092.db2.gz BTAGKZFZCSQIRX-HNNXBMFYSA-N 2 1 387.455 3.542 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246681867 1037545167 /nfs/dbraw/zinc/54/51/67/1037545167.db2.gz ABARJUKECPNDEC-RZFNWQHOSA-N 2 1 379.504 3.779 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CC[C@H](c4ccccn4)C3)CC2)cc1 ZINC001308717712 1050070435 /nfs/dbraw/zinc/07/04/35/1050070435.db2.gz KUEVSPIBWZLANI-NRFANRHFSA-N 2 1 394.519 3.734 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000548930873 836211502 /nfs/dbraw/zinc/21/15/02/836211502.db2.gz KOTOYWJKGBZKBU-NRFANRHFSA-N 2 1 383.492 3.864 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000548930873 836211512 /nfs/dbraw/zinc/21/15/12/836211512.db2.gz KOTOYWJKGBZKBU-NRFANRHFSA-N 2 1 383.492 3.864 20 5 GHBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000120795585 836523725 /nfs/dbraw/zinc/52/37/25/836523725.db2.gz ZCKICOIANRXUKA-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)o2)c(Br)c1 ZINC000414827407 838876871 /nfs/dbraw/zinc/87/68/71/838876871.db2.gz KPXHVDYADLTKHA-LBPRGKRZSA-N 2 1 394.269 3.707 20 5 GHBDMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415052088 839121323 /nfs/dbraw/zinc/12/13/23/839121323.db2.gz HFMBEPBDKJEIOY-HXUWFJFHSA-N 2 1 387.480 3.645 20 5 GHBDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361996 842185655 /nfs/dbraw/zinc/18/56/55/842185655.db2.gz GNKOVIIVQPMXDT-MRXNPFEDSA-N 2 1 389.521 3.914 20 5 GHBDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361996 842185659 /nfs/dbraw/zinc/18/56/59/842185659.db2.gz GNKOVIIVQPMXDT-MRXNPFEDSA-N 2 1 389.521 3.914 20 5 GHBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000435372854 850421807 /nfs/dbraw/zinc/42/18/07/850421807.db2.gz LENVGPAWTJHCLN-RYUDHWBXSA-N 2 1 394.269 3.786 20 5 GHBDMP Cc1c(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000426827508 852442041 /nfs/dbraw/zinc/44/20/41/852442041.db2.gz SHLOVMHTSKGNOC-CALCHBBNSA-N 2 1 375.513 3.615 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173327152 856858721 /nfs/dbraw/zinc/85/87/21/856858721.db2.gz KXHHRBSZFMGVIK-SFHVURJKSA-N 2 1 382.508 3.583 20 5 GHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000727423238 860088749 /nfs/dbraw/zinc/08/87/49/860088749.db2.gz NKDKKLFJLQFHOV-UHFFFAOYSA-N 2 1 393.491 3.746 20 5 GHBDMP Cc1nn(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761287819 860567884 /nfs/dbraw/zinc/56/78/84/860567884.db2.gz HLAWNUPUJPHCDJ-UHFFFAOYSA-N 2 1 385.512 3.798 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290467 860625492 /nfs/dbraw/zinc/62/54/92/860625492.db2.gz PAQIMYLLQCNKAF-UHFFFAOYSA-N 2 1 381.480 3.794 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761290467 860625493 /nfs/dbraw/zinc/62/54/93/860625493.db2.gz PAQIMYLLQCNKAF-UHFFFAOYSA-N 2 1 381.480 3.794 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000738067796 865477322 /nfs/dbraw/zinc/47/73/22/865477322.db2.gz SOUWVJHBIRNBAI-UHFFFAOYSA-N 2 1 385.512 3.860 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157309 866284046 /nfs/dbraw/zinc/28/40/46/866284046.db2.gz NNIKZXFBLPMVET-HUUCEWRRSA-N 2 1 393.447 3.767 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898045 869987616 /nfs/dbraw/zinc/98/76/16/869987616.db2.gz JEKOLHAHMRSVCC-LMNJBCLMSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898045 869987627 /nfs/dbraw/zinc/98/76/27/869987627.db2.gz JEKOLHAHMRSVCC-LMNJBCLMSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797159 870627246 /nfs/dbraw/zinc/62/72/46/870627246.db2.gz QXUARBNZXGIDJN-BSIFCXSSSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797159 870627253 /nfs/dbraw/zinc/62/72/53/870627253.db2.gz QXUARBNZXGIDJN-BSIFCXSSSA-N 2 1 385.464 3.538 20 5 GHBDMP C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000447529827 871762386 /nfs/dbraw/zinc/76/23/86/871762386.db2.gz LCBHDMGDPJOSMH-HOJAQTOUSA-N 2 1 385.512 3.775 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000768301783 873219832 /nfs/dbraw/zinc/21/98/32/873219832.db2.gz ANPOPVXJWUSQTG-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542013960 874767431 /nfs/dbraw/zinc/76/74/31/874767431.db2.gz QPYNRTZFMDCGJR-KRWDZBQOSA-N 2 1 390.528 3.756 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542041567 874805587 /nfs/dbraw/zinc/80/55/87/874805587.db2.gz LAMGPHWFWDBSBP-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP CC(=O)Nc1ccc(C[NH+]2CCC(NCc3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000449522321 874996702 /nfs/dbraw/zinc/99/67/02/874996702.db2.gz JCYLPFWCOHXUAH-UHFFFAOYSA-N 2 1 396.491 3.616 20 5 GHBDMP Cc1c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000531932334 880783650 /nfs/dbraw/zinc/78/36/50/880783650.db2.gz MPXUGVNQSVYVKB-QFBILLFUSA-N 2 1 388.537 3.604 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960111 896267217 /nfs/dbraw/zinc/26/72/17/896267217.db2.gz XNFBMIZDEUTVIJ-VGSWGCGISA-N 2 1 383.492 3.650 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959778 896296811 /nfs/dbraw/zinc/29/68/11/896296811.db2.gz SUDHSEYIDDNHIP-VGOFRKELSA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959279 896299005 /nfs/dbraw/zinc/29/90/05/896299005.db2.gz HIPZAFXJMRSWGT-VGOFRKELSA-N 2 1 383.492 3.650 20 5 GHBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100956 896376654 /nfs/dbraw/zinc/37/66/54/896376654.db2.gz XMORMIFSAXWJMP-JOCHJYFZSA-N 2 1 395.459 3.643 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000775056019 914849754 /nfs/dbraw/zinc/84/97/54/914849754.db2.gz TVPKRKRLOSSAEH-UHFFFAOYSA-N 2 1 378.473 3.837 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583333 921162307 /nfs/dbraw/zinc/16/23/07/921162307.db2.gz UBZRENVSUOCLAK-RTWAWAEBSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583333 921162311 /nfs/dbraw/zinc/16/23/11/921162311.db2.gz UBZRENVSUOCLAK-RTWAWAEBSA-N 2 1 383.492 3.519 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172913464 906023537 /nfs/dbraw/zinc/02/35/37/906023537.db2.gz WAXOTHFVPXDSHE-LGKPFJOYSA-N 2 1 377.488 3.562 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC001172913464 906023550 /nfs/dbraw/zinc/02/35/50/906023550.db2.gz WAXOTHFVPXDSHE-LGKPFJOYSA-N 2 1 377.488 3.562 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001173225373 906308121 /nfs/dbraw/zinc/30/81/21/906308121.db2.gz JODACEJFHHFPFY-LJQANCHMSA-N 2 1 394.519 3.909 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000749675143 927230355 /nfs/dbraw/zinc/23/03/55/927230355.db2.gz IRQPWJPODSOUAG-HTAPYJJXSA-N 2 1 383.492 3.650 20 5 GHBDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837610 929488436 /nfs/dbraw/zinc/48/84/36/929488436.db2.gz DMJCALWIZDFXML-PGRDOPGGSA-N 2 1 382.508 3.624 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000781423400 930840066 /nfs/dbraw/zinc/84/00/66/930840066.db2.gz PSQXXILWLZKXGY-MLDBQTBOSA-N 2 1 395.503 3.519 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000468626961 1015856103 /nfs/dbraw/zinc/85/61/03/1015856103.db2.gz JZXFWMOHVSXJFJ-RGEXLXHISA-N 2 1 394.519 3.535 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246681866 1037546002 /nfs/dbraw/zinc/54/60/02/1037546002.db2.gz ABARJUKECPNDEC-JZWVFAODSA-N 2 1 379.504 3.779 20 5 GHBDMP Cc1ccc(F)cc1C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246953779 1037760986 /nfs/dbraw/zinc/76/09/86/1037760986.db2.gz CYTFREHMLCRDFP-JOCHJYFZSA-N 2 1 383.467 3.764 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608258 1040380343 /nfs/dbraw/zinc/38/03/43/1040380343.db2.gz QBBHISUANQEGOE-KJXAQDMKSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608258 1040380357 /nfs/dbraw/zinc/38/03/57/1040380357.db2.gz QBBHISUANQEGOE-KJXAQDMKSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608258 1040380372 /nfs/dbraw/zinc/38/03/72/1040380372.db2.gz QBBHISUANQEGOE-KJXAQDMKSA-N 2 1 377.488 3.516 20 5 GHBDMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC001308734518 1050075636 /nfs/dbraw/zinc/07/56/36/1050075636.db2.gz BYVSPYOHJCMIRY-UHFFFAOYSA-N 2 1 382.508 3.685 20 5 GHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906859 1050155016 /nfs/dbraw/zinc/15/50/16/1050155016.db2.gz WBYDCHGRDSYOGV-OXQOHEQNSA-N 2 1 388.512 3.699 20 5 GHBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906859 1050155022 /nfs/dbraw/zinc/15/50/22/1050155022.db2.gz WBYDCHGRDSYOGV-OXQOHEQNSA-N 2 1 388.512 3.699 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649436 1064154820 /nfs/dbraw/zinc/15/48/20/1064154820.db2.gz BDQNZCCGNAXZFY-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649436 1064154824 /nfs/dbraw/zinc/15/48/24/1064154824.db2.gz BDQNZCCGNAXZFY-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459649436 1064154827 /nfs/dbraw/zinc/15/48/27/1064154827.db2.gz BDQNZCCGNAXZFY-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649436 1064154834 /nfs/dbraw/zinc/15/48/34/1064154834.db2.gz BDQNZCCGNAXZFY-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1Br ZINC000849350858 1067816847 /nfs/dbraw/zinc/81/68/47/1067816847.db2.gz ZCFUDHMTPBIMQS-HNNXBMFYSA-N 2 1 382.302 3.569 20 5 GHBDMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236627263 836282766 /nfs/dbraw/zinc/28/27/66/836282766.db2.gz MXNOLFFWQXFXTE-GOSISDBHSA-N 2 1 389.521 3.506 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000435368808 850434231 /nfs/dbraw/zinc/43/42/31/850434231.db2.gz CDVDVIVOXLBHMF-IIBYNOLFSA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000435368808 850434235 /nfs/dbraw/zinc/43/42/35/850434235.db2.gz CDVDVIVOXLBHMF-IIBYNOLFSA-N 2 1 391.475 3.617 20 5 GHBDMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108429134 853069278 /nfs/dbraw/zinc/06/92/78/853069278.db2.gz JYPCGWDYAXMABY-IBGZPJMESA-N 2 1 399.491 3.614 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170324137 881359550 /nfs/dbraw/zinc/35/95/50/881359550.db2.gz ORUIYBNNXCPZSM-KRWDZBQOSA-N 2 1 383.492 3.570 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345202 881461369 /nfs/dbraw/zinc/46/13/69/881461369.db2.gz HXGFHEUOWJUBST-IEBWSBKVSA-N 2 1 375.513 3.875 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345202 881461655 /nfs/dbraw/zinc/46/16/55/881461655.db2.gz HXGFHEUOWJUBST-IEBWSBKVSA-N 2 1 375.513 3.875 20 5 GHBDMP O=[N+]([O-])c1ccc2oc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1 ZINC000602546883 860093740 /nfs/dbraw/zinc/09/37/40/860093740.db2.gz MJHBHCJRSOZVFF-UHFFFAOYSA-N 2 1 396.447 3.500 20 5 GHBDMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000126721395 861132830 /nfs/dbraw/zinc/13/28/30/861132830.db2.gz JMLSIYQEIPOQQL-QFIPXVFZSA-N 2 1 382.508 3.583 20 5 GHBDMP C[NH+]1CCC2(CCC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC001193873797 871372500 /nfs/dbraw/zinc/37/25/00/871372500.db2.gz ZTCBLABHNCHJSD-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CC1 ZINC001193873797 871372517 /nfs/dbraw/zinc/37/25/17/871372517.db2.gz ZTCBLABHNCHJSD-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447527456 871757833 /nfs/dbraw/zinc/75/78/33/871757833.db2.gz GBOIKGBVQJDHQZ-HKUYNNGSSA-N 2 1 398.442 3.698 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000447587110 871892353 /nfs/dbraw/zinc/89/23/53/871892353.db2.gz OSDXUQSAQVGEKY-AYWYSENESA-N 2 1 397.523 3.918 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000447587110 871892374 /nfs/dbraw/zinc/89/23/74/871892374.db2.gz OSDXUQSAQVGEKY-AYWYSENESA-N 2 1 397.523 3.918 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000192616175 882819174 /nfs/dbraw/zinc/81/91/74/882819174.db2.gz KFERBEBKXPAUSO-QFIPXVFZSA-N 2 1 381.476 3.594 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000763219515 888351228 /nfs/dbraw/zinc/35/12/28/888351228.db2.gz ZPFQYMHJOMOMBU-KRWDZBQOSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000763219515 888351244 /nfs/dbraw/zinc/35/12/44/888351244.db2.gz ZPFQYMHJOMOMBU-KRWDZBQOSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000763219515 888351260 /nfs/dbraw/zinc/35/12/60/888351260.db2.gz ZPFQYMHJOMOMBU-KRWDZBQOSA-N 2 1 385.512 3.879 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCC2 ZINC000249001384 889072236 /nfs/dbraw/zinc/07/22/36/889072236.db2.gz QSGHIUQZSJKTJB-GMAHTHKFSA-N 2 1 395.503 3.719 20 5 GHBDMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533271190 890134721 /nfs/dbraw/zinc/13/47/21/890134721.db2.gz HMRONPPVTFSITO-GOSISDBHSA-N 2 1 388.512 3.511 20 5 GHBDMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555880 893995292 /nfs/dbraw/zinc/99/52/92/893995292.db2.gz JNKHWWXAHSVBEA-IXDOHACOSA-N 2 1 398.507 3.637 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959277 896298270 /nfs/dbraw/zinc/29/82/70/896298270.db2.gz HIPZAFXJMRSWGT-HTAPYJJXSA-N 2 1 383.492 3.650 20 5 GHBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819100976 896375570 /nfs/dbraw/zinc/37/55/70/896375570.db2.gz YCJTWJDKKXIAMD-JOCHJYFZSA-N 2 1 395.459 3.643 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323714 896568333 /nfs/dbraw/zinc/56/83/33/896568333.db2.gz PJJKXZMTKFNWPO-KNQAVFIVSA-N 2 1 383.492 3.520 20 5 GHBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001173220935 906297618 /nfs/dbraw/zinc/29/76/18/906297618.db2.gz IOXMPKGEFJZULO-GOSISDBHSA-N 2 1 397.519 3.831 20 5 GHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000751111277 928034829 /nfs/dbraw/zinc/03/48/29/928034829.db2.gz OHZLXUDUBMEQLX-UHFFFAOYSA-N 2 1 394.947 3.881 20 5 GHBDMP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934745 932824514 /nfs/dbraw/zinc/82/45/14/932824514.db2.gz HZSMDZNYJXSVQZ-TUNNFDKTSA-N 2 1 397.523 3.777 20 5 GHBDMP C[NH+](C)/C=C/c1cc(NC[C@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001156528914 1033085106 /nfs/dbraw/zinc/08/51/06/1033085106.db2.gz FBUIANWBXPUKIM-YFPIXMDGSA-N 2 1 381.480 3.771 20 5 GHBDMP C[NH+]1CCC2(CCC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000839590701 1026089320 /nfs/dbraw/zinc/08/93/20/1026089320.db2.gz AQBRQHGNSIXYTJ-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)CC1 ZINC000839590701 1026089337 /nfs/dbraw/zinc/08/93/37/1026089337.db2.gz AQBRQHGNSIXYTJ-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1CC[NH2+]C[C@@H]1F ZINC001219210648 1031306201 /nfs/dbraw/zinc/30/62/01/1031306201.db2.gz IRQIBNYRIBXGDJ-MSOLQXFVSA-N 2 1 380.467 3.649 20 5 GHBDMP C[NH+](C)/C=C/c1cc(N[C@@H](Cc2ccccc2)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001159654158 1034703209 /nfs/dbraw/zinc/70/32/09/1034703209.db2.gz RWXDSRTWEPGBGM-YPNIWSFNSA-N 2 1 395.507 3.641 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246619240 1037509402 /nfs/dbraw/zinc/50/94/02/1037509402.db2.gz JXFARIUFYVGSPR-IFMALSPDSA-N 2 1 377.488 3.531 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246669858 1037536816 /nfs/dbraw/zinc/53/68/16/1037536816.db2.gz ACECSDBWEAJCAP-JZWVFAODSA-N 2 1 379.504 3.779 20 5 GHBDMP C[N@H+]1CCC[C@H]1C[C@@H]1CCCC[NH+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479767 1040266891 /nfs/dbraw/zinc/26/68/91/1040266891.db2.gz KRTVSWPSKUHQHB-VXKWHMMOSA-N 2 1 386.540 3.902 20 5 GHBDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479767 1040266898 /nfs/dbraw/zinc/26/68/98/1040266898.db2.gz KRTVSWPSKUHQHB-VXKWHMMOSA-N 2 1 386.540 3.902 20 5 GHBDMP C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479767 1040266904 /nfs/dbraw/zinc/26/69/04/1040266904.db2.gz KRTVSWPSKUHQHB-VXKWHMMOSA-N 2 1 386.540 3.902 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000584291285 835849366 /nfs/dbraw/zinc/84/93/66/835849366.db2.gz JBWMDGGYURHKNM-JKSUJKDBSA-N 2 1 385.464 3.685 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000247250226 838150205 /nfs/dbraw/zinc/15/02/05/838150205.db2.gz ZPCGQRRHGNBSRJ-ZWKOTPCHSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1[N+](=O)[O-] ZINC000247250226 838150217 /nfs/dbraw/zinc/15/02/17/838150217.db2.gz ZPCGQRRHGNBSRJ-ZWKOTPCHSA-N 2 1 383.492 3.975 20 5 GHBDMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415059749 839145819 /nfs/dbraw/zinc/14/58/19/839145819.db2.gz YUJWIDVSNJGGFI-OPAMFIHVSA-N 2 1 399.491 3.599 20 5 GHBDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351146 842138782 /nfs/dbraw/zinc/13/87/82/842138782.db2.gz JKGZWULRGCWBFS-INIZCTEOSA-N 2 1 389.521 3.914 20 5 GHBDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351146 842138786 /nfs/dbraw/zinc/13/87/86/842138786.db2.gz JKGZWULRGCWBFS-INIZCTEOSA-N 2 1 389.521 3.914 20 5 GHBDMP CC1(C)C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433298306 843984903 /nfs/dbraw/zinc/98/49/03/843984903.db2.gz YWXLJMXIXAYCDC-PWRODBHTSA-N 2 1 387.524 3.675 20 5 GHBDMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000592427585 857401816 /nfs/dbraw/zinc/40/18/16/857401816.db2.gz FHVYLDKYGWTZDS-QUCCMNQESA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000592427585 857401824 /nfs/dbraw/zinc/40/18/24/857401824.db2.gz FHVYLDKYGWTZDS-QUCCMNQESA-N 2 1 399.491 3.742 20 5 GHBDMP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)([NH+]2CCCCC2)CC1 ZINC000301964457 859537951 /nfs/dbraw/zinc/53/79/51/859537951.db2.gz SXSCEOKPABZHOI-UHFFFAOYSA-N 2 1 398.454 3.558 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594060 881566314 /nfs/dbraw/zinc/56/63/14/881566314.db2.gz XVRORTFCDNHYAY-HRAATJIYSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594060 881566320 /nfs/dbraw/zinc/56/63/20/881566320.db2.gz XVRORTFCDNHYAY-HRAATJIYSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594060 881566335 /nfs/dbraw/zinc/56/63/35/881566335.db2.gz XVRORTFCDNHYAY-HRAATJIYSA-N 2 1 384.480 3.656 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868308 875731822 /nfs/dbraw/zinc/73/18/22/875731822.db2.gz SJUZFEWSMBNFLL-NRFANRHFSA-N 2 1 395.503 3.613 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549868308 875731833 /nfs/dbraw/zinc/73/18/33/875731833.db2.gz SJUZFEWSMBNFLL-NRFANRHFSA-N 2 1 395.503 3.613 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C12CCC[NH+]1CCC2 ZINC001183557569 912625837 /nfs/dbraw/zinc/62/58/37/912625837.db2.gz UBGNKTBWGQWZAZ-UHFFFAOYSA-N 2 1 390.487 3.523 20 5 GHBDMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000819189509 896458914 /nfs/dbraw/zinc/45/89/14/896458914.db2.gz HVJBHYVTCYFKIE-SFGWALBWSA-N 2 1 383.492 3.519 20 5 GHBDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913277 906022896 /nfs/dbraw/zinc/02/28/96/906022896.db2.gz VEYVJHRYZRUSEC-LJQANCHMSA-N 2 1 380.492 3.804 20 5 GHBDMP [NH3+]CCC[N@@H+](C1CCCCC1)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011595 906088467 /nfs/dbraw/zinc/08/84/67/906088467.db2.gz GXUHNGDOUBLSPU-UHFFFAOYSA-N 2 1 396.482 3.825 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000773736247 908970486 /nfs/dbraw/zinc/97/04/86/908970486.db2.gz VISWIOJNFQSFCT-OAQYLSRUSA-N 2 1 377.529 3.708 20 5 GHBDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000118949033 919600106 /nfs/dbraw/zinc/60/01/06/919600106.db2.gz HMFZVAFTCDOBAZ-HUUCEWRRSA-N 2 1 381.904 3.569 20 5 GHBDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000467837611 929488134 /nfs/dbraw/zinc/48/81/34/929488134.db2.gz DMJCALWIZDFXML-XMSQKQJNSA-N 2 1 382.508 3.624 20 5 GHBDMP [NH2+]=c1ccc2nc3c(cc(NC(=O)[C@@H]4CC5CC[NH+]4CC5)c4ccccc43)oc-2c1 ZINC001142632189 1029185540 /nfs/dbraw/zinc/18/55/40/1029185540.db2.gz APVSDSQFSCMDDY-FQEVSTJZSA-N 2 1 398.466 3.988 20 5 GHBDMP O=C1C[N@@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)CC2(CC[NH2+]CC2)N1 ZINC001222515731 1030176760 /nfs/dbraw/zinc/17/67/60/1030176760.db2.gz ZIRFGFVRMKVRLZ-UHFFFAOYSA-N 2 1 399.494 3.745 20 5 GHBDMP [NH3+][C@@H]1CC[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001205953184 1033653629 /nfs/dbraw/zinc/65/36/29/1033653629.db2.gz MVFQCEOKOUCXBL-XMSQKQJNSA-N 2 1 384.483 3.850 20 5 GHBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC001462000581 1069937994 /nfs/dbraw/zinc/93/79/94/1069937994.db2.gz WEZDFHQXEXITQR-GCJKJVERSA-N 2 1 397.519 3.662 20 5 GHBDMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481520 1040267771 /nfs/dbraw/zinc/26/77/71/1040267771.db2.gz WYLPVNDHPOEFRJ-UHFFFAOYSA-N 2 1 391.475 3.881 20 5 GHBDMP COc1ccc(CC2([NH3+])CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254547776 1040315692 /nfs/dbraw/zinc/31/56/92/1040315692.db2.gz WQNFORNLKVNEGD-QGZVFWFLSA-N 2 1 383.492 3.570 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564749 1040339939 /nfs/dbraw/zinc/33/99/39/1040339939.db2.gz MTYGLWQRLRBRAE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564749 1040339947 /nfs/dbraw/zinc/33/99/47/1040339947.db2.gz MTYGLWQRLRBRAE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564749 1040339962 /nfs/dbraw/zinc/33/99/62/1040339962.db2.gz MTYGLWQRLRBRAE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001254564749 1040339972 /nfs/dbraw/zinc/33/99/72/1040339972.db2.gz MTYGLWQRLRBRAE-STZQEDGTSA-N 2 1 379.504 3.980 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC001254581805 1040356695 /nfs/dbraw/zinc/35/66/95/1040356695.db2.gz MYUJIMMQZUMVMY-VOFXCDAESA-N 2 1 377.488 3.562 20 5 GHBDMP COc1cccc(C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254587960 1040360945 /nfs/dbraw/zinc/36/09/45/1040360945.db2.gz STFYZIYYHKKOGU-KCZVDYSFSA-N 2 1 395.503 3.843 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001326597212 1057519667 /nfs/dbraw/zinc/51/96/67/1057519667.db2.gz SWQRZAONCZVBKI-VYTWWXLVSA-N 2 1 395.503 3.804 20 5 GHBDMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000104074508 838617395 /nfs/dbraw/zinc/61/73/95/838617395.db2.gz HLQPCLLLPJUMPF-UHFFFAOYSA-N 2 1 398.507 3.712 20 5 GHBDMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc([N+](=O)[O-])cc3)CC2)c1C ZINC000104074508 838617401 /nfs/dbraw/zinc/61/74/01/838617401.db2.gz HLQPCLLLPJUMPF-UHFFFAOYSA-N 2 1 398.507 3.712 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330390 /nfs/dbraw/zinc/33/03/90/842330390.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330403 /nfs/dbraw/zinc/33/04/03/842330403.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330408 /nfs/dbraw/zinc/33/04/08/842330408.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726119 842330420 /nfs/dbraw/zinc/33/04/20/842330420.db2.gz REZRFFMKTJYUPE-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506929 861753184 /nfs/dbraw/zinc/75/31/84/861753184.db2.gz BCHUITVUXKDQNY-MOPGFXCFSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506929 861753190 /nfs/dbraw/zinc/75/31/90/861753190.db2.gz BCHUITVUXKDQNY-MOPGFXCFSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506929 861753195 /nfs/dbraw/zinc/75/31/95/861753195.db2.gz BCHUITVUXKDQNY-MOPGFXCFSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506929 861753203 /nfs/dbraw/zinc/75/32/03/861753203.db2.gz BCHUITVUXKDQNY-MOPGFXCFSA-N 2 1 375.513 3.950 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436287980 851422200 /nfs/dbraw/zinc/42/22/00/851422200.db2.gz DKEBMRHDZIOESR-GUDVDZBRSA-N 2 1 375.517 3.662 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108428917 853072322 /nfs/dbraw/zinc/07/23/22/853072322.db2.gz QNHCDHQLVXNAPT-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594217 881566657 /nfs/dbraw/zinc/56/66/57/881566657.db2.gz XVRORTFCDNHYAY-IERDGZPVSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594217 881566661 /nfs/dbraw/zinc/56/66/61/881566661.db2.gz XVRORTFCDNHYAY-IERDGZPVSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594217 881566666 /nfs/dbraw/zinc/56/66/66/881566666.db2.gz XVRORTFCDNHYAY-IERDGZPVSA-N 2 1 384.480 3.656 20 5 GHBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594180 865972560 /nfs/dbraw/zinc/97/25/60/865972560.db2.gz DPKMTZMDPSOGPF-GOSISDBHSA-N 2 1 375.513 3.541 20 5 GHBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057481 871142659 /nfs/dbraw/zinc/14/26/59/871142659.db2.gz VXXXPQHEZXLBDV-MAUKXSAKSA-N 2 1 385.430 3.705 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000618570491 871726595 /nfs/dbraw/zinc/72/65/95/871726595.db2.gz KCCPMSOZHFQCGS-NJDAHSKKSA-N 2 1 397.523 3.777 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000447516630 871734830 /nfs/dbraw/zinc/73/48/30/871734830.db2.gz HMSFWZZNDJLBDJ-WOJBJXKFSA-N 2 1 383.496 3.529 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000447516629 871734883 /nfs/dbraw/zinc/73/48/83/871734883.db2.gz HMSFWZZNDJLBDJ-VQTJNVASSA-N 2 1 383.496 3.529 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000536693158 893549127 /nfs/dbraw/zinc/54/91/27/893549127.db2.gz IZTXCEPRVDHOIQ-IBGZPJMESA-N 2 1 387.480 3.788 20 5 GHBDMP CC[N@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000774940842 914117891 /nfs/dbraw/zinc/11/78/91/914117891.db2.gz DBIKCRVUSJPHFM-UHFFFAOYSA-N 2 1 390.484 3.837 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1)CC1CC1 ZINC000774940842 914117902 /nfs/dbraw/zinc/11/79/02/914117902.db2.gz DBIKCRVUSJPHFM-UHFFFAOYSA-N 2 1 390.484 3.837 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583335 921161884 /nfs/dbraw/zinc/16/18/84/921161884.db2.gz UBZRENVSUOCLAK-SFTDATJTSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583335 921161900 /nfs/dbraw/zinc/16/19/00/921161900.db2.gz UBZRENVSUOCLAK-SFTDATJTSA-N 2 1 383.492 3.519 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173224774 906307034 /nfs/dbraw/zinc/30/70/34/906307034.db2.gz LCTQYPJYXWUAHT-VQIMIIECSA-N 2 1 375.513 3.537 20 5 GHBDMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1OC ZINC000299469936 921352976 /nfs/dbraw/zinc/35/29/76/921352976.db2.gz AFSHYVVRSSXGRY-UHFFFAOYSA-N 2 1 393.509 3.675 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1)CC(C)C ZINC001181515643 910838952 /nfs/dbraw/zinc/83/89/52/910838952.db2.gz VOQXTCAXNDFBIW-UHFFFAOYSA-N 2 1 393.528 3.889 20 5 GHBDMP CC(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001182861784 912086196 /nfs/dbraw/zinc/08/61/96/912086196.db2.gz JPXAEZWZBAUDHE-IBGZPJMESA-N 2 1 386.455 3.986 20 5 GHBDMP CC(C)[N@H+]1CC[C@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001182861784 912086210 /nfs/dbraw/zinc/08/62/10/912086210.db2.gz JPXAEZWZBAUDHE-IBGZPJMESA-N 2 1 386.455 3.986 20 5 GHBDMP CN(c1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC000093338328 912202559 /nfs/dbraw/zinc/20/25/59/912202559.db2.gz OWQKAOMHTRTXLG-UHFFFAOYSA-N 2 1 394.519 3.684 20 5 GHBDMP CN(c1ccccc1C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)C1CC[NH+](C)CC1 ZINC000093338328 912202592 /nfs/dbraw/zinc/20/25/92/912202592.db2.gz OWQKAOMHTRTXLG-UHFFFAOYSA-N 2 1 394.519 3.684 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221056 1014561737 /nfs/dbraw/zinc/56/17/37/1014561737.db2.gz JRIDJXJMSXPEBE-WIYYLYMNSA-N 2 1 382.508 3.543 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000468747174 1015987040 /nfs/dbraw/zinc/98/70/40/1015987040.db2.gz JRWPGCODRLKMTJ-RVDMUPIBSA-N 2 1 381.480 3.664 20 5 GHBDMP C[NH+](C)CCN1CC[N@@H+](Cc2c3ccccc3cc3ccccc32)CCC1=O ZINC001141728296 1026361630 /nfs/dbraw/zinc/36/16/30/1026361630.db2.gz PJAXYQYCQJSHQE-UHFFFAOYSA-N 2 1 375.516 3.589 20 5 GHBDMP C[C@H](c1ccccn1)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001462068930 1069978229 /nfs/dbraw/zinc/97/82/29/1069978229.db2.gz CJTWZZJGPVZQNM-GOSISDBHSA-N 2 1 382.508 3.937 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+]C2(c3cccc(F)c3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246435155 1037398340 /nfs/dbraw/zinc/39/83/40/1037398340.db2.gz FLRDIPJFMIKDIJ-HNNXBMFYSA-N 2 1 387.455 3.542 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001246864554 1037683625 /nfs/dbraw/zinc/68/36/25/1037683625.db2.gz WHHAQOKNZHNHFS-KRWDZBQOSA-N 2 1 395.503 3.671 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001254558950 1040329724 /nfs/dbraw/zinc/32/97/24/1040329724.db2.gz WNUXMOCGJJQABC-IBGZPJMESA-N 2 1 394.519 3.909 20 5 GHBDMP CCC[NH+](CCC)CCCN1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254567975 1040344155 /nfs/dbraw/zinc/34/41/55/1040344155.db2.gz DMLSSNDKJSEECO-HXUWFJFHSA-N 2 1 390.572 3.656 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849350537 1067816788 /nfs/dbraw/zinc/81/67/88/1067816788.db2.gz PMMIAJMRRIURKG-CQSZACIVSA-N 2 1 382.302 3.569 20 5 GHBDMP O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001473586543 1074033408 /nfs/dbraw/zinc/03/34/08/1074033408.db2.gz PXHQENQXFPVKPG-UHFFFAOYSA-N 2 1 380.370 3.721 20 5 GHBDMP O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC001473586543 1074033415 /nfs/dbraw/zinc/03/34/15/1074033415.db2.gz PXHQENQXFPVKPG-UHFFFAOYSA-N 2 1 380.370 3.721 20 5 GHBDMP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414932861 839002638 /nfs/dbraw/zinc/00/26/38/839002638.db2.gz WCHLBNITBXHPRJ-ROUUACIJSA-N 2 1 385.464 3.542 20 5 GHBDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCO1 ZINC000415108534 839217815 /nfs/dbraw/zinc/21/78/15/839217815.db2.gz MKFMIBNKMPQOQB-KRWDZBQOSA-N 2 1 391.855 3.590 20 5 GHBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCCO1 ZINC000415108534 839217828 /nfs/dbraw/zinc/21/78/28/839217828.db2.gz MKFMIBNKMPQOQB-KRWDZBQOSA-N 2 1 391.855 3.590 20 5 GHBDMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125533 839246878 /nfs/dbraw/zinc/24/68/78/839246878.db2.gz LLJQAVDODLNDDB-APWZRJJASA-N 2 1 399.491 3.599 20 5 GHBDMP Cc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302098222 861205448 /nfs/dbraw/zinc/20/54/48/861205448.db2.gz TXRAIGBPNOULOM-UHFFFAOYSA-N 2 1 392.463 3.939 20 5 GHBDMP Cc1cc(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302191900 861238233 /nfs/dbraw/zinc/23/82/33/861238233.db2.gz RINGLAAENQIUBG-INIZCTEOSA-N 2 1 377.448 3.730 20 5 GHBDMP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000126706475 841879199 /nfs/dbraw/zinc/87/91/99/841879199.db2.gz JOVLSUPITNXPQT-QHCPKHFHSA-N 2 1 396.535 3.973 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000249050640 842708736 /nfs/dbraw/zinc/70/87/36/842708736.db2.gz XIAGCBYGCMCDTQ-HXOBKFHXSA-N 2 1 395.503 3.983 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432674649 843417811 /nfs/dbraw/zinc/41/78/11/843417811.db2.gz CRAFZQIARVISEK-LJQANCHMSA-N 2 1 387.505 3.809 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432674649 843417819 /nfs/dbraw/zinc/41/78/19/843417819.db2.gz CRAFZQIARVISEK-LJQANCHMSA-N 2 1 387.505 3.809 20 5 GHBDMP Cc1cc(N2CCC([NH2+][C@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)nc(C)[nH+]1 ZINC000433283304 843955651 /nfs/dbraw/zinc/95/56/51/843955651.db2.gz IEHNMHUFLBFFEM-FQEVSTJZSA-N 2 1 395.507 3.983 20 5 GHBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC([NH3+])C1 ZINC000573683952 844660889 /nfs/dbraw/zinc/66/08/89/844660889.db2.gz OWDGVYCNHQVMEW-UHFFFAOYSA-N 2 1 380.242 3.539 20 5 GHBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C1CC([NH3+])C1 ZINC000573683952 844660896 /nfs/dbraw/zinc/66/08/96/844660896.db2.gz OWDGVYCNHQVMEW-UHFFFAOYSA-N 2 1 380.242 3.539 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000599661301 861494482 /nfs/dbraw/zinc/49/44/82/861494482.db2.gz SOZSUFKSABVVSA-QGZVFWFLSA-N 2 1 398.507 3.814 20 5 GHBDMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374820 850421848 /nfs/dbraw/zinc/42/18/48/850421848.db2.gz YSJPSFPVNYTJNK-IRXDYDNUSA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092402 851232179 /nfs/dbraw/zinc/23/21/79/851232179.db2.gz FFMWMKASBYEVLB-DBXWQHBBSA-N 2 1 399.539 3.765 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248441718 856460117 /nfs/dbraw/zinc/46/01/17/856460117.db2.gz KJDPDVZSPSZENT-PXNSSMCTSA-N 2 1 383.492 3.711 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000595009205 858365588 /nfs/dbraw/zinc/36/55/88/858365588.db2.gz BCXLTILIYHQWSP-PKOBYXMFSA-N 2 1 383.492 3.819 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009205 858365597 /nfs/dbraw/zinc/36/55/97/858365597.db2.gz BCXLTILIYHQWSP-PKOBYXMFSA-N 2 1 383.492 3.819 20 5 GHBDMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000597248306 859392817 /nfs/dbraw/zinc/39/28/17/859392817.db2.gz PTVKXEKGUOMIMP-MRXNPFEDSA-N 2 1 389.521 3.866 20 5 GHBDMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCO1 ZINC000597248306 859392827 /nfs/dbraw/zinc/39/28/27/859392827.db2.gz PTVKXEKGUOMIMP-MRXNPFEDSA-N 2 1 389.521 3.866 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345204 881450979 /nfs/dbraw/zinc/45/09/79/881450979.db2.gz HXGFHEUOWJUBST-PKOBYXMFSA-N 2 1 375.513 3.875 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345204 881450991 /nfs/dbraw/zinc/45/09/91/881450991.db2.gz HXGFHEUOWJUBST-PKOBYXMFSA-N 2 1 375.513 3.875 20 5 GHBDMP [NH3+]CCC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1ccccc1 ZINC000479768684 868492475 /nfs/dbraw/zinc/49/24/75/868492475.db2.gz DBLFSGQOYDONFK-UHFFFAOYSA-N 2 1 380.448 3.643 20 5 GHBDMP COc1ccc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1[N+](=O)[O-] ZINC001168992561 871073211 /nfs/dbraw/zinc/07/32/11/871073211.db2.gz FTVPGGYHRAKDRA-IAGOWNOFSA-N 2 1 383.492 3.850 20 5 GHBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057480 871142862 /nfs/dbraw/zinc/14/28/62/871142862.db2.gz VXXXPQHEZXLBDV-CRAIPNDOSA-N 2 1 385.430 3.705 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447527459 871757012 /nfs/dbraw/zinc/75/70/12/871757012.db2.gz GBOIKGBVQJDHQZ-PKOBYXMFSA-N 2 1 398.442 3.698 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000121738313 871772276 /nfs/dbraw/zinc/77/22/76/871772276.db2.gz SEUIBTGEKWVYHG-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447543803 871814212 /nfs/dbraw/zinc/81/42/12/871814212.db2.gz MLLUDHDGFBPZKT-RDGPPVDQSA-N 2 1 377.533 3.623 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000531932332 880783818 /nfs/dbraw/zinc/78/38/18/880783818.db2.gz MPXUGVNQSVYVKB-APWZRJJASA-N 2 1 388.537 3.604 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296674 881317716 /nfs/dbraw/zinc/31/77/16/881317716.db2.gz HMWATFKTFJGKCH-IEBWSBKVSA-N 2 1 383.492 3.646 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532441961 885453581 /nfs/dbraw/zinc/45/35/81/885453581.db2.gz OIAKPBDYVBSFFG-VQIMIIECSA-N 2 1 388.537 3.604 20 5 GHBDMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000819189507 896458535 /nfs/dbraw/zinc/45/85/35/896458535.db2.gz HVJBHYVTCYFKIE-LZNRXBQRSA-N 2 1 383.492 3.519 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121488190 900038784 /nfs/dbraw/zinc/03/87/84/900038784.db2.gz VVDHJWXLMNCPKA-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000121488190 900038793 /nfs/dbraw/zinc/03/87/93/900038793.db2.gz VVDHJWXLMNCPKA-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001179771660 909699439 /nfs/dbraw/zinc/69/94/39/909699439.db2.gz KKMHSBJRINYZHS-HKBOAZHASA-N 2 1 395.503 3.994 20 5 GHBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000578070846 1020317238 /nfs/dbraw/zinc/31/72/38/1020317238.db2.gz MZLKRJZGWUGAJY-KKSFZXQISA-N 2 1 396.491 3.642 20 5 GHBDMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)c2c1 ZINC001160013016 1034829695 /nfs/dbraw/zinc/82/96/95/1034829695.db2.gz OWGCMSKRRTYMGN-MVGZEHJDSA-N 2 1 379.464 3.664 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)C2 ZINC001246952223 1037757144 /nfs/dbraw/zinc/75/71/44/1037757144.db2.gz JYBJKRVYZJMMSZ-FQEVSTJZSA-N 2 1 385.895 3.970 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)C2 ZINC001246952223 1037757161 /nfs/dbraw/zinc/75/71/61/1037757161.db2.gz JYBJKRVYZJMMSZ-FQEVSTJZSA-N 2 1 385.895 3.970 20 5 GHBDMP [NH3+][C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581248 1040356519 /nfs/dbraw/zinc/35/65/19/1040356519.db2.gz MZNPTDOQTODLLP-LNIIZBNTSA-N 2 1 397.478 3.639 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]1 ZINC000414955394 839016331 /nfs/dbraw/zinc/01/63/31/839016331.db2.gz UGCBAAGNFIBORB-VXGBXAGGSA-N 2 1 394.269 3.847 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053481 839122306 /nfs/dbraw/zinc/12/23/06/839122306.db2.gz ORJXFDCKVNTSMH-BEFAXECRSA-N 2 1 385.464 3.827 20 5 GHBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475976 840814059 /nfs/dbraw/zinc/81/40/59/840814059.db2.gz RKXLCIRLLZOIRN-HRAATJIYSA-N 2 1 381.476 3.593 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475976 840814065 /nfs/dbraw/zinc/81/40/65/840814065.db2.gz RKXLCIRLLZOIRN-HRAATJIYSA-N 2 1 381.476 3.593 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cccc1[N+](=O)[O-] ZINC000126701321 841871314 /nfs/dbraw/zinc/87/13/14/841871314.db2.gz NTVBDIOFTFMFDB-SFHVURJKSA-N 2 1 382.508 3.501 20 5 GHBDMP Cc1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000893589534 843419036 /nfs/dbraw/zinc/41/90/36/843419036.db2.gz KBHOXJDXTNWUHI-SFHVURJKSA-N 2 1 376.460 3.807 20 5 GHBDMP Cc1ccc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000423540648 849974211 /nfs/dbraw/zinc/97/42/11/849974211.db2.gz AALKFLVQGMQQMM-GOSISDBHSA-N 2 1 382.508 3.547 20 5 GHBDMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435433167 850491570 /nfs/dbraw/zinc/49/15/70/850491570.db2.gz QNOKTGIRNLGXDB-IBGZPJMESA-N 2 1 399.491 3.756 20 5 GHBDMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482146620 862762542 /nfs/dbraw/zinc/76/25/42/862762542.db2.gz VPYWZUCRZPYREX-PBHICJAKSA-N 2 1 396.919 3.677 20 5 GHBDMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482146622 862763144 /nfs/dbraw/zinc/76/31/44/862763144.db2.gz VPYWZUCRZPYREX-RHSMWYFYSA-N 2 1 396.919 3.677 20 5 GHBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591726549 856232789 /nfs/dbraw/zinc/23/27/89/856232789.db2.gz LRYAXUCJKJSMRR-UHFFFAOYSA-N 2 1 384.480 3.553 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000245905998 857195622 /nfs/dbraw/zinc/19/56/22/857195622.db2.gz FHGDMUHASVDLIT-FCHUYYIVSA-N 2 1 383.492 3.511 20 5 GHBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124244 858572943 /nfs/dbraw/zinc/57/29/43/858572943.db2.gz YBZSLAHFXVKXNN-LAUBAEHRSA-N 2 1 396.491 3.644 20 5 GHBDMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000160321971 858810085 /nfs/dbraw/zinc/81/00/85/858810085.db2.gz ISAHDTIIMVFUKU-HSZRJFAPSA-N 2 1 396.535 3.973 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000593316834 859394704 /nfs/dbraw/zinc/39/47/04/859394704.db2.gz YSKKCUQHZRSWDZ-LZJOCLMNSA-N 2 1 385.464 3.573 20 5 GHBDMP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3cccnc23)([NH+]2CCCCC2)CC1 ZINC000301967760 859568221 /nfs/dbraw/zinc/56/82/21/859568221.db2.gz WWJGBBYWICTEQG-UHFFFAOYSA-N 2 1 383.496 3.505 20 5 GHBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110690 860496218 /nfs/dbraw/zinc/49/62/18/860496218.db2.gz OZLVTTIWNDWSMF-MRXNPFEDSA-N 2 1 387.484 3.904 20 5 GHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000603633173 860952617 /nfs/dbraw/zinc/95/26/17/860952617.db2.gz IEFFSVJEDHKFEA-GOSISDBHSA-N 2 1 380.492 3.937 20 5 GHBDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237447147 864564578 /nfs/dbraw/zinc/56/45/78/864564578.db2.gz BHKKVGJCYYDVKD-QGZVFWFLSA-N 2 1 393.491 3.877 20 5 GHBDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000475620956 867680798 /nfs/dbraw/zinc/68/07/98/867680798.db2.gz GGFCMXPXUWNEPE-UHFFFAOYSA-N 2 1 394.431 3.581 20 5 GHBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564554 871871716 /nfs/dbraw/zinc/87/17/16/871871716.db2.gz XTQIOBSFGDUTEZ-PMACEKPBSA-N 2 1 385.512 3.905 20 5 GHBDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000182250534 872104344 /nfs/dbraw/zinc/10/43/44/872104344.db2.gz MWPZELLFOPTYFS-FGZHOGPDSA-N 2 1 383.492 3.792 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000542020126 874787373 /nfs/dbraw/zinc/78/73/73/874787373.db2.gz ZTMLXCCGHGTYGM-KRWDZBQOSA-N 2 1 390.528 3.756 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276556 876149537 /nfs/dbraw/zinc/14/95/37/876149537.db2.gz KNXOLIXRYBPBRX-JTSKRJEESA-N 2 1 383.492 3.792 20 5 GHBDMP Cc1cccc(N2CCC([NH2+][C@@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)[nH+]1 ZINC000497403485 891509977 /nfs/dbraw/zinc/50/99/77/891509977.db2.gz HNVSYNVPEVWHDM-FQEVSTJZSA-N 2 1 380.492 3.878 20 5 GHBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173224769 906307174 /nfs/dbraw/zinc/30/71/74/906307174.db2.gz LCTQYPJYXWUAHT-QFBILLFUSA-N 2 1 375.513 3.537 20 5 GHBDMP CC1CC[NH+](CC[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC001175353021 907514979 /nfs/dbraw/zinc/51/49/79/907514979.db2.gz SQGYSENCTYEJAP-SFHVURJKSA-N 2 1 388.512 3.510 20 5 GHBDMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001178698278 909195318 /nfs/dbraw/zinc/19/53/18/909195318.db2.gz YZXVTVDIZXKSJJ-LJQANCHMSA-N 2 1 386.455 3.988 20 5 GHBDMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001178698278 909195331 /nfs/dbraw/zinc/19/53/31/909195331.db2.gz YZXVTVDIZXKSJJ-LJQANCHMSA-N 2 1 386.455 3.988 20 5 GHBDMP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000798934742 932823271 /nfs/dbraw/zinc/82/32/71/932823271.db2.gz HZSMDZNYJXSVQZ-JAXLGGSGSA-N 2 1 397.523 3.777 20 5 GHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559326108 1017427005 /nfs/dbraw/zinc/42/70/05/1017427005.db2.gz BOHHMZYGRGUCFH-OAQYLSRUSA-N 2 1 395.503 3.613 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC[C@@H]2C2CC[NH2+]CC2)c1F ZINC001246653646 1037528261 /nfs/dbraw/zinc/52/82/61/1037528261.db2.gz IPNAUNRJSZYSAS-WMLDXEAASA-N 2 1 379.476 3.528 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1Cc3ccccc3C13CC[NH2+]CC3)CC2 ZINC001247011425 1037836463 /nfs/dbraw/zinc/83/64/63/1037836463.db2.gz RYWURDPOHVTIFD-HXUWFJFHSA-N 2 1 377.488 3.937 20 5 GHBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906854 1050155054 /nfs/dbraw/zinc/15/50/54/1050155054.db2.gz WBYDCHGRDSYOGV-JXFKEZNVSA-N 2 1 388.512 3.699 20 5 GHBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906854 1050155057 /nfs/dbraw/zinc/15/50/57/1050155057.db2.gz WBYDCHGRDSYOGV-JXFKEZNVSA-N 2 1 388.512 3.699 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532989 834586868 /nfs/dbraw/zinc/58/68/68/834586868.db2.gz ZOEYVWBRSZKRPP-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532989 834586875 /nfs/dbraw/zinc/58/68/75/834586875.db2.gz ZOEYVWBRSZKRPP-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532989 834586880 /nfs/dbraw/zinc/58/68/80/834586880.db2.gz ZOEYVWBRSZKRPP-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP COc1c(O)ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000892465829 835815710 /nfs/dbraw/zinc/81/57/10/835815710.db2.gz HTVSAQSTGDKNDS-UHFFFAOYSA-N 2 1 385.464 3.585 20 5 GHBDMP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118834288 837890252 /nfs/dbraw/zinc/89/02/52/837890252.db2.gz DHAHMTMNNRPVRJ-GOSISDBHSA-N 2 1 388.512 3.511 20 5 GHBDMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118834288 837890261 /nfs/dbraw/zinc/89/02/61/837890261.db2.gz DHAHMTMNNRPVRJ-GOSISDBHSA-N 2 1 388.512 3.511 20 5 GHBDMP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372538 838760457 /nfs/dbraw/zinc/76/04/57/838760457.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 2 1 383.492 3.818 20 5 GHBDMP C[NH+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372538 838760467 /nfs/dbraw/zinc/76/04/67/838760467.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 2 1 383.492 3.818 20 5 GHBDMP C[NH+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372538 838760471 /nfs/dbraw/zinc/76/04/71/838760471.db2.gz ZTNKAPCXJSIIFO-HXUWFJFHSA-N 2 1 383.492 3.818 20 5 GHBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432674955 843421617 /nfs/dbraw/zinc/42/16/17/843421617.db2.gz GSPJDHXLDAKWFH-LJQANCHMSA-N 2 1 387.505 3.679 20 5 GHBDMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240211 843890061 /nfs/dbraw/zinc/89/00/61/843890061.db2.gz NMDQVTAZIBGSFY-SIKLNZKXSA-N 2 1 395.503 3.674 20 5 GHBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501769859 847165277 /nfs/dbraw/zinc/16/52/77/847165277.db2.gz KZTBVCNWMDFHOA-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501769859 847165280 /nfs/dbraw/zinc/16/52/80/847165280.db2.gz KZTBVCNWMDFHOA-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000153481420 854963505 /nfs/dbraw/zinc/96/35/05/854963505.db2.gz GGXNMMFKSAORBF-AEFFLSMTSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000153481420 854963509 /nfs/dbraw/zinc/96/35/09/854963509.db2.gz GGXNMMFKSAORBF-AEFFLSMTSA-N 2 1 383.492 3.975 20 5 GHBDMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000592427583 857402131 /nfs/dbraw/zinc/40/21/31/857402131.db2.gz FHVYLDKYGWTZDS-AZUAARDMSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@H]1[NH3+] ZINC000592427583 857402144 /nfs/dbraw/zinc/40/21/44/857402144.db2.gz FHVYLDKYGWTZDS-AZUAARDMSA-N 2 1 399.491 3.742 20 5 GHBDMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427922 857403227 /nfs/dbraw/zinc/40/32/27/857403227.db2.gz YTMYHUSBKJEHMF-UHFFFAOYSA-N 2 1 387.480 3.599 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114475694 858054425 /nfs/dbraw/zinc/05/44/25/858054425.db2.gz LPRDQLSOZMGRJQ-QGZVFWFLSA-N 2 1 390.528 3.674 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114475694 858054434 /nfs/dbraw/zinc/05/44/34/858054434.db2.gz LPRDQLSOZMGRJQ-QGZVFWFLSA-N 2 1 390.528 3.674 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCC2 ZINC000595066102 858369346 /nfs/dbraw/zinc/36/93/46/858369346.db2.gz BYGIPOOQYQWPQF-FYYLOGMGSA-N 2 1 395.503 3.719 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170329246 881367364 /nfs/dbraw/zinc/36/73/64/881367364.db2.gz YFYYLNGZLQCZOO-VDGAXYAQSA-N 2 1 398.507 3.702 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c([N+](=O)[O-])c1 ZINC001170351673 881498134 /nfs/dbraw/zinc/49/81/34/881498134.db2.gz HETDSXLYDGQXPF-NEWSRXKRSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351673 881498144 /nfs/dbraw/zinc/49/81/44/881498144.db2.gz HETDSXLYDGQXPF-NEWSRXKRSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351673 881498153 /nfs/dbraw/zinc/49/81/53/881498153.db2.gz HETDSXLYDGQXPF-NEWSRXKRSA-N 2 1 375.513 3.873 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000618570494 871725847 /nfs/dbraw/zinc/72/58/47/871725847.db2.gz KCCPMSOZHFQCGS-QHAWAJNXSA-N 2 1 397.523 3.777 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000182766384 872746972 /nfs/dbraw/zinc/74/69/72/872746972.db2.gz RYKYCOLRNOQRPB-UHFFFAOYSA-N 2 1 390.528 3.676 20 5 GHBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000537659562 883006585 /nfs/dbraw/zinc/00/65/85/883006585.db2.gz YJYANOWGHMLXCC-QCHNEIPXSA-N 2 1 387.524 3.819 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585901 878235197 /nfs/dbraw/zinc/23/51/97/878235197.db2.gz CSGYDZBEAAKOEL-UTKZUKDTSA-N 2 1 375.513 3.605 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000531677699 880309165 /nfs/dbraw/zinc/30/91/65/880309165.db2.gz POEFGNHMAXHHIN-LPHOPBHVSA-N 2 1 388.537 3.604 20 5 GHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495439878 885808703 /nfs/dbraw/zinc/80/87/03/885808703.db2.gz OHEBYJSILKLTFX-YJBOKZPZSA-N 2 1 383.920 3.517 20 5 GHBDMP CCc1ccc([C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873293950 891562963 /nfs/dbraw/zinc/56/29/63/891562963.db2.gz RSEVWCIRFHNHRQ-PZJWPPBQSA-N 2 1 399.491 3.588 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323607 896568074 /nfs/dbraw/zinc/56/80/74/896568074.db2.gz NMSCPUDHDKTVLB-DENIHFKCSA-N 2 1 383.492 3.520 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000134868285 903584217 /nfs/dbraw/zinc/58/42/17/903584217.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)o2)c1 ZINC000134868285 903584227 /nfs/dbraw/zinc/58/42/27/903584227.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)o2)c1 ZINC000134868285 903584235 /nfs/dbraw/zinc/58/42/35/903584235.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 2 1 396.491 3.741 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)o2)c1 ZINC000134868285 903584250 /nfs/dbraw/zinc/58/42/50/903584250.db2.gz CRRFDYTYPHOOLZ-YLJYHZDGSA-N 2 1 396.491 3.741 20 5 GHBDMP CCC(CC)[N@@H+]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008947 906084694 /nfs/dbraw/zinc/08/46/94/906084694.db2.gz OGSKRAVSTRUYGF-HNNXBMFYSA-N 2 1 396.482 3.694 20 5 GHBDMP CCC(CC)[N@H+]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173008947 906084702 /nfs/dbraw/zinc/08/47/02/906084702.db2.gz OGSKRAVSTRUYGF-HNNXBMFYSA-N 2 1 396.482 3.694 20 5 GHBDMP Cc1c(NC(=O)CC[NH+]2CCC(C)([NH+]3CCCCC3)CC2)cccc1[N+](=O)[O-] ZINC001175966315 907843519 /nfs/dbraw/zinc/84/35/19/907843519.db2.gz ZXNSVKBLMLZHNI-UHFFFAOYSA-N 2 1 388.512 3.572 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221055 1014561567 /nfs/dbraw/zinc/56/15/67/1014561567.db2.gz JRIDJXJMSXPEBE-RXVVDRJESA-N 2 1 382.508 3.543 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC001219211025 1031307098 /nfs/dbraw/zinc/30/70/98/1031307098.db2.gz SCBFBGSHDGOWJQ-QGZVFWFLSA-N 2 1 398.457 3.946 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936757 1037742141 /nfs/dbraw/zinc/74/21/41/1037742141.db2.gz JNIKNDPZRPLXAV-IAGOWNOFSA-N 2 1 375.513 3.779 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936769 1037744054 /nfs/dbraw/zinc/74/40/54/1037744054.db2.gz JOUQOLLBFMWSAW-HZPDHXFCSA-N 2 1 393.503 3.918 20 5 GHBDMP C[C@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469984 1040257251 /nfs/dbraw/zinc/25/72/51/1040257251.db2.gz LANOQTLCCNOOQV-GOSISDBHSA-N 2 1 382.508 3.661 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC001254581804 1040356309 /nfs/dbraw/zinc/35/63/09/1040356309.db2.gz MYUJIMMQZUMVMY-KPUOSGPGSA-N 2 1 377.488 3.562 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001307459697 1049296018 /nfs/dbraw/zinc/29/60/18/1049296018.db2.gz ZRAKKKWWZJQVAM-FQEVSTJZSA-N 2 1 396.535 3.714 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459697 1049296028 /nfs/dbraw/zinc/29/60/28/1049296028.db2.gz ZRAKKKWWZJQVAM-FQEVSTJZSA-N 2 1 396.535 3.714 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649428 1064154912 /nfs/dbraw/zinc/15/49/12/1064154912.db2.gz BDQNZCCGNAXZFY-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649428 1064154914 /nfs/dbraw/zinc/15/49/14/1064154914.db2.gz BDQNZCCGNAXZFY-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459649428 1064154915 /nfs/dbraw/zinc/15/49/15/1064154915.db2.gz BDQNZCCGNAXZFY-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649428 1064154919 /nfs/dbraw/zinc/15/49/19/1064154919.db2.gz BDQNZCCGNAXZFY-OFNKIYASSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]3)o2)c(Br)c1 ZINC000414905123 838955534 /nfs/dbraw/zinc/95/55/34/838955534.db2.gz MXFPYBDJYARSGD-GFCCVEGCSA-N 2 1 394.269 3.849 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053485 839122444 /nfs/dbraw/zinc/12/24/44/839122444.db2.gz ORJXFDCKVNTSMH-DNVCBOLYSA-N 2 1 385.464 3.827 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599660935 861493455 /nfs/dbraw/zinc/49/34/55/861493455.db2.gz QNKFLEUONRXRTL-INIZCTEOSA-N 2 1 384.480 3.506 20 5 GHBDMP COc1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000513500103 845554218 /nfs/dbraw/zinc/55/42/18/845554218.db2.gz KOHOHUPCSFOWPY-YLJYHZDGSA-N 2 1 383.492 3.994 20 5 GHBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056239 846587567 /nfs/dbraw/zinc/58/75/67/846587567.db2.gz YCHYWLQWDJXHHX-UHFFFAOYSA-N 2 1 384.480 3.737 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1[NH3+] ZINC000435372638 850440338 /nfs/dbraw/zinc/44/03/38/850440338.db2.gz KSLGUOMAEPDDOM-BDJLRTHQSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@H]1[NH3+] ZINC000435372638 850440343 /nfs/dbraw/zinc/44/03/43/850440343.db2.gz KSLGUOMAEPDDOM-BDJLRTHQSA-N 2 1 394.269 3.786 20 5 GHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482146627 862762644 /nfs/dbraw/zinc/76/26/44/862762644.db2.gz VPYWZUCRZPYREX-YOEHRIQHSA-N 2 1 396.919 3.677 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000592363196 857202885 /nfs/dbraw/zinc/20/28/85/857202885.db2.gz KOQNEAAKMBGXCI-IBGZPJMESA-N 2 1 381.476 3.760 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000592363196 857202890 /nfs/dbraw/zinc/20/28/90/857202890.db2.gz KOQNEAAKMBGXCI-IBGZPJMESA-N 2 1 381.476 3.760 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1[N+](=O)[O-] ZINC000595000167 858362808 /nfs/dbraw/zinc/36/28/08/858362808.db2.gz JPVQLUYAGZESEN-FQEVSTJZSA-N 2 1 395.503 3.995 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585368 881556918 /nfs/dbraw/zinc/55/69/18/881556918.db2.gz CSIIUGMQCQLRHL-DYESRHJHSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585368 881556932 /nfs/dbraw/zinc/55/69/32/881556932.db2.gz CSIIUGMQCQLRHL-DYESRHJHSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585368 881556938 /nfs/dbraw/zinc/55/69/38/881556938.db2.gz CSIIUGMQCQLRHL-DYESRHJHSA-N 2 1 398.507 3.964 20 5 GHBDMP Cc1c(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598329 881572236 /nfs/dbraw/zinc/57/22/36/881572236.db2.gz HOYMWNXTRPBPMC-NRFANRHFSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1c(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598329 881572247 /nfs/dbraw/zinc/57/22/47/881572247.db2.gz HOYMWNXTRPBPMC-NRFANRHFSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1c(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598329 881572250 /nfs/dbraw/zinc/57/22/50/881572250.db2.gz HOYMWNXTRPBPMC-NRFANRHFSA-N 2 1 398.507 3.792 20 5 GHBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000181625925 871291791 /nfs/dbraw/zinc/29/17/91/871291791.db2.gz JHYAJIROGXZYIU-INIZCTEOSA-N 2 1 386.471 3.727 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000776275678 876142595 /nfs/dbraw/zinc/14/25/95/876142595.db2.gz GUMRKYQUYHTNJI-IEGUWTFLSA-N 2 1 397.519 3.896 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296676 881317255 /nfs/dbraw/zinc/31/72/55/881317255.db2.gz HMWATFKTFJGKCH-MJGOQNOKSA-N 2 1 383.492 3.646 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000762072369 885311537 /nfs/dbraw/zinc/31/15/37/885311537.db2.gz BDVPKURFOOGXCS-UHFFFAOYSA-N 2 1 390.875 3.727 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000762072369 885311557 /nfs/dbraw/zinc/31/15/57/885311557.db2.gz BDVPKURFOOGXCS-UHFFFAOYSA-N 2 1 390.875 3.727 20 5 GHBDMP CC(C)[NH+]1CCC(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866469281 888895458 /nfs/dbraw/zinc/89/54/58/888895458.db2.gz KOVCTVRKHCYJDB-HXUWFJFHSA-N 2 1 385.512 3.518 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533408697 890479985 /nfs/dbraw/zinc/47/99/85/890479985.db2.gz HELDTECARUWGPU-HNNXBMFYSA-N 2 1 387.484 3.758 20 5 GHBDMP [NH3+]CCC[C@@H]1CCCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173014581 906092590 /nfs/dbraw/zinc/09/25/90/906092590.db2.gz STIIZWBQFUTQLF-HNNXBMFYSA-N 2 1 396.482 3.683 20 5 GHBDMP CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477358 919391000 /nfs/dbraw/zinc/39/10/00/919391000.db2.gz GGQMHXSKLOLART-UHFFFAOYSA-N 2 1 383.496 3.883 20 5 GHBDMP CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477358 919391019 /nfs/dbraw/zinc/39/10/19/919391019.db2.gz GGQMHXSKLOLART-UHFFFAOYSA-N 2 1 383.496 3.883 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000781423394 930840543 /nfs/dbraw/zinc/84/05/43/930840543.db2.gz PSQXXILWLZKXGY-CWKRKGSWSA-N 2 1 395.503 3.519 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1[N+](=O)[O-] ZINC000532221053 1014562024 /nfs/dbraw/zinc/56/20/24/1014562024.db2.gz JRIDJXJMSXPEBE-GHTZIAJQSA-N 2 1 382.508 3.543 20 5 GHBDMP CC[C@@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC001204769015 1033081083 /nfs/dbraw/zinc/08/10/83/1033081083.db2.gz PHXPHZCBFHNRSV-HXUWFJFHSA-N 2 1 377.554 3.677 20 5 GHBDMP Cc1cccc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001162933510 1025971389 /nfs/dbraw/zinc/97/13/89/1025971389.db2.gz DBBTWEGRNJWFCJ-FQEVSTJZSA-N 2 1 394.519 3.817 20 5 GHBDMP C[NH+](C)/C=C/c1cc(NC2CC[NH+](C[C@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163320218 1026143125 /nfs/dbraw/zinc/14/31/25/1026143125.db2.gz PLSAFDVRDUTGGE-YRYLYKBFSA-N 2 1 385.512 3.755 20 5 GHBDMP C[NH+]1CCN(c2ccc(NCCc3ccc([N+](=O)[O-])cc3)c3c[nH+]ccc32)CC1 ZINC001207813987 1034591481 /nfs/dbraw/zinc/59/14/81/1034591481.db2.gz QIKKTKGWFZTHQI-UHFFFAOYSA-N 2 1 391.475 3.549 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601010 1037499168 /nfs/dbraw/zinc/49/91/68/1037499168.db2.gz FTLVCFPUGFIGSS-UTKZUKDTSA-N 2 1 375.513 3.780 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+]3C3CCCCCC3)CC2)cc1 ZINC001462521053 1070324135 /nfs/dbraw/zinc/32/41/35/1070324135.db2.gz XDFXWOXXQRRXTJ-QFIPXVFZSA-N 2 1 386.540 3.950 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@H+]3C3CCCCCC3)CC2)cc1 ZINC001462521053 1070324154 /nfs/dbraw/zinc/32/41/54/1070324154.db2.gz XDFXWOXXQRRXTJ-QFIPXVFZSA-N 2 1 386.540 3.950 20 5 GHBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4Cc3ccccc3)C2)c1 ZINC001330640038 1051049556 /nfs/dbraw/zinc/04/95/56/1051049556.db2.gz XDEDXUSRXQQQNF-BWQRXAFVSA-N 2 1 395.507 3.670 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000540988370 837509255 /nfs/dbraw/zinc/50/92/55/837509255.db2.gz KILNUELEASIVDD-UWJYYQICSA-N 2 1 383.492 3.711 20 5 GHBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179390131 835669309 /nfs/dbraw/zinc/66/93/09/835669309.db2.gz GNXNQZKPQRKCIM-UHFFFAOYSA-N 2 1 384.480 3.607 20 5 GHBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389337 836915556 /nfs/dbraw/zinc/91/55/56/836915556.db2.gz VZXJTDXHQLOOPM-HNNXBMFYSA-N 2 1 385.468 3.514 20 5 GHBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377992065 838259651 /nfs/dbraw/zinc/25/96/51/838259651.db2.gz BZCYMMPPRGIGHG-GOSISDBHSA-N 2 1 388.556 3.784 20 5 GHBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377992065 838259656 /nfs/dbraw/zinc/25/96/56/838259656.db2.gz BZCYMMPPRGIGHG-GOSISDBHSA-N 3 1 388.556 3.784 20 5 GHBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377992065 838259663 /nfs/dbraw/zinc/25/96/63/838259663.db2.gz BZCYMMPPRGIGHG-GOSISDBHSA-N 3 1 388.556 3.784 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122816688 838373688 /nfs/dbraw/zinc/37/36/88/838373688.db2.gz HWQWIPCCIGVZPF-UHFFFAOYSA-N 2 1 394.519 3.602 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)cc1 ZINC000122816688 838373698 /nfs/dbraw/zinc/37/36/98/838373698.db2.gz HWQWIPCCIGVZPF-UHFFFAOYSA-N 2 1 394.519 3.602 20 5 GHBDMP Cc1ccc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000423540649 849974359 /nfs/dbraw/zinc/97/43/59/849974359.db2.gz AALKFLVQGMQQMM-SFHVURJKSA-N 2 1 382.508 3.547 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000424372260 850411772 /nfs/dbraw/zinc/41/17/72/850411772.db2.gz WGFYXTHATNHXSV-RTBURBONSA-N 2 1 385.464 3.542 20 5 GHBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381040 850446687 /nfs/dbraw/zinc/44/66/87/850446687.db2.gz UTMRAXUWASILQJ-FUHWJXTLSA-N 2 1 391.475 3.617 20 5 GHBDMP C[NH2+]C[C@@H](C)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414829107 850827578 /nfs/dbraw/zinc/82/75/78/850827578.db2.gz ANOAISDJCGZIGL-LLVKDONJSA-N 2 1 382.258 3.562 20 5 GHBDMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427683 857403494 /nfs/dbraw/zinc/40/34/94/857403494.db2.gz PVVWXYAEQXLWNC-QFBILLFUSA-N 2 1 399.491 3.742 20 5 GHBDMP CC1([NH3+])CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000592431543 857436821 /nfs/dbraw/zinc/43/68/21/857436821.db2.gz CNGOIMRXSGCKSH-UHFFFAOYSA-N 2 1 394.269 3.931 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000132361544 858318522 /nfs/dbraw/zinc/31/85/22/858318522.db2.gz AYAUXZVYKLGTNM-UHFFFAOYSA-N 2 1 394.519 3.818 20 5 GHBDMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160353968 858828814 /nfs/dbraw/zinc/82/88/14/858828814.db2.gz XAVKFPUFIVRHQV-HSZRJFAPSA-N 2 1 396.535 3.973 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170325598 881361146 /nfs/dbraw/zinc/36/11/46/881361146.db2.gz WNDZVFIBPMUQKE-HNNXBMFYSA-N 2 1 387.455 3.624 20 5 GHBDMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000597248481 859392383 /nfs/dbraw/zinc/39/23/83/859392383.db2.gz XQUWZEOIZVSTOC-SFHVURJKSA-N 2 1 389.521 3.866 20 5 GHBDMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000597248481 859392389 /nfs/dbraw/zinc/39/23/89/859392389.db2.gz XQUWZEOIZVSTOC-SFHVURJKSA-N 2 1 389.521 3.866 20 5 GHBDMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000466462864 859621224 /nfs/dbraw/zinc/62/12/24/859621224.db2.gz NFDKPPZMEXFMSU-UHFFFAOYSA-N 2 1 388.899 3.680 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@H]2C[C@@H]2CCC[NH+]2C)c([N+](=O)[O-])c1 ZINC001170351674 881495780 /nfs/dbraw/zinc/49/57/80/881495780.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351674 881495994 /nfs/dbraw/zinc/49/59/94/881495994.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCCC[C@@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351674 881496224 /nfs/dbraw/zinc/49/62/24/881496224.db2.gz HETDSXLYDGQXPF-NZSAHSFTSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481188149 865966531 /nfs/dbraw/zinc/96/65/31/865966531.db2.gz HNWSJKXHRCOLBQ-BEFAXECRSA-N 2 1 387.455 3.743 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138796 866267744 /nfs/dbraw/zinc/26/77/44/866267744.db2.gz IMKNYXCBLYZSTE-HUUCEWRRSA-N 2 1 393.447 3.767 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797460 870627463 /nfs/dbraw/zinc/62/74/63/870627463.db2.gz ITPIEJBNJWEOPC-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797460 870627471 /nfs/dbraw/zinc/62/74/71/870627471.db2.gz ITPIEJBNJWEOPC-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797460 870627474 /nfs/dbraw/zinc/62/74/74/870627474.db2.gz ITPIEJBNJWEOPC-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797460 870627483 /nfs/dbraw/zinc/62/74/83/870627483.db2.gz ITPIEJBNJWEOPC-KXBFYZLASA-N 2 1 385.464 3.780 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000447518400 871739812 /nfs/dbraw/zinc/73/98/12/871739812.db2.gz VUTCKHBSAWXKTD-JOCHJYFZSA-N 2 1 381.476 3.594 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000776276562 876149274 /nfs/dbraw/zinc/14/92/74/876149274.db2.gz KNXOLIXRYBPBRX-VGSWGCGISA-N 2 1 383.492 3.792 20 5 GHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000111386074 879081534 /nfs/dbraw/zinc/08/15/34/879081534.db2.gz RSMHEVZHBLGAAL-MRXNPFEDSA-N 2 1 389.521 3.650 20 5 GHBDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495439876 885809042 /nfs/dbraw/zinc/80/90/42/885809042.db2.gz OHEBYJSILKLTFX-MAUKXSAKSA-N 2 1 383.920 3.517 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000153481010 885817669 /nfs/dbraw/zinc/81/76/69/885817669.db2.gz RTCGHNFORIFUGY-QZTJIDSGSA-N 2 1 383.492 3.975 20 5 GHBDMP CC1CC[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272534810 887663695 /nfs/dbraw/zinc/66/36/95/887663695.db2.gz NSIMEJUGCWXTJM-HXUWFJFHSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)cc2)C1 ZINC000876930917 893393738 /nfs/dbraw/zinc/39/37/38/893393738.db2.gz GYFZFONGLOGTSF-DZIBYMRMSA-N 2 1 383.496 3.517 20 5 GHBDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC12CCOCC2 ZINC000563135594 893397321 /nfs/dbraw/zinc/39/73/21/893397321.db2.gz RJWJJZVCJMVWRA-INIZCTEOSA-N 2 1 387.505 3.511 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000564612139 895122150 /nfs/dbraw/zinc/12/21/50/895122150.db2.gz SOAACDVQTRUXFT-CQSZACIVSA-N 2 1 382.420 3.586 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323716 896567878 /nfs/dbraw/zinc/56/78/78/896567878.db2.gz PJJKXZMTKFNWPO-UGKGYDQZSA-N 2 1 383.492 3.520 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173176057 906252275 /nfs/dbraw/zinc/25/22/75/906252275.db2.gz GGGVLSQCBDAEDA-OWCLPIDISA-N 2 1 381.492 3.631 20 5 GHBDMP C[C@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001179266115 909446020 /nfs/dbraw/zinc/44/60/20/909446020.db2.gz JFTBMVFSWIDWDU-QGZVFWFLSA-N 2 1 393.491 3.877 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C[N@H+](C)C1CCCC1 ZINC001180629419 910276426 /nfs/dbraw/zinc/27/64/26/910276426.db2.gz MMFPEEWNZSJNJZ-UHFFFAOYSA-N 2 1 392.503 3.769 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C[N@@H+](C)C1CCCC1 ZINC001180629419 910276434 /nfs/dbraw/zinc/27/64/34/910276434.db2.gz MMFPEEWNZSJNJZ-UHFFFAOYSA-N 2 1 392.503 3.769 20 5 GHBDMP CSC[C@@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001182043965 911146300 /nfs/dbraw/zinc/14/63/00/911146300.db2.gz RCJGAVRKPJIEIT-HXUWFJFHSA-N 2 1 391.581 3.924 20 5 GHBDMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000798956531 932838813 /nfs/dbraw/zinc/83/88/13/932838813.db2.gz BVFNMGSUYUQEDQ-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000798956531 932838817 /nfs/dbraw/zinc/83/88/17/932838817.db2.gz BVFNMGSUYUQEDQ-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001461119410 1069399513 /nfs/dbraw/zinc/39/95/13/1069399513.db2.gz FUTGMNDIXMKRDN-LJQANCHMSA-N 2 1 383.492 3.995 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)C2 ZINC001246945061 1037749654 /nfs/dbraw/zinc/74/96/54/1037749654.db2.gz FKDCXVGPALILMM-NRFANRHFSA-N 2 1 385.895 3.970 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001254563402 1040336908 /nfs/dbraw/zinc/33/69/08/1040336908.db2.gz ZWJPSXGFMQNRNC-STZQEDGTSA-N 2 1 379.504 3.898 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000180516263 837337400 /nfs/dbraw/zinc/33/74/00/837337400.db2.gz FHGDMUHASVDLIT-YADHBBJMSA-N 2 1 383.492 3.511 20 5 GHBDMP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000581613206 841785776 /nfs/dbraw/zinc/78/57/76/841785776.db2.gz VPKWLGSBZRCWHU-OAQYLSRUSA-N 2 1 396.491 3.644 20 5 GHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875552 861307546 /nfs/dbraw/zinc/30/75/46/861307546.db2.gz HGGZZQJWORFHBE-KRWDZBQOSA-N 2 1 388.512 3.510 20 5 GHBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538946586 845749589 /nfs/dbraw/zinc/74/95/89/845749589.db2.gz BRTXNFAJGARCQR-UHFFFAOYSA-N 2 1 384.480 3.607 20 5 GHBDMP COc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000489186525 852099363 /nfs/dbraw/zinc/09/93/63/852099363.db2.gz TWPXFEVKXRJCPA-UHFFFAOYSA-N 2 1 383.492 3.947 20 5 GHBDMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000426814593 852426240 /nfs/dbraw/zinc/42/62/40/852426240.db2.gz HNIWMHCJWZGIHL-HOTGVXAUSA-N 2 1 395.931 3.960 20 5 GHBDMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000108429130 853065429 /nfs/dbraw/zinc/06/54/29/853065429.db2.gz JYPCGWDYAXMABY-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132576 856676463 /nfs/dbraw/zinc/67/64/63/856676463.db2.gz KJPNQUHKTBDVQD-MXVIHJGJSA-N 2 1 386.496 3.686 20 5 GHBDMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132576 856676473 /nfs/dbraw/zinc/67/64/73/856676473.db2.gz KJPNQUHKTBDVQD-MXVIHJGJSA-N 2 1 386.496 3.686 20 5 GHBDMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000594739846 858270588 /nfs/dbraw/zinc/27/05/88/858270588.db2.gz ZIZBONUBSDTJBP-UHFFFAOYSA-N 2 1 385.464 3.544 20 5 GHBDMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068526 858370848 /nfs/dbraw/zinc/37/08/48/858370848.db2.gz IKQGWYFAAARDJG-YADHBBJMSA-N 2 1 383.492 3.792 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3cccc(F)c3)CC2)c([N+](=O)[O-])c1 ZINC001170321326 881355189 /nfs/dbraw/zinc/35/51/89/881355189.db2.gz ACHQAFXOIYAWPZ-OAHLLOKOSA-N 2 1 387.455 3.624 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000593323746 859406972 /nfs/dbraw/zinc/40/69/72/859406972.db2.gz WGYPKTRQAMNELW-LKUPVBHCSA-N 2 1 385.464 3.716 20 5 GHBDMP COc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000481188155 865965960 /nfs/dbraw/zinc/96/59/60/865965960.db2.gz HNWSJKXHRCOLBQ-KXBFYZLASA-N 2 1 387.455 3.743 20 5 GHBDMP COc1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000481188151 865966117 /nfs/dbraw/zinc/96/61/17/865966117.db2.gz HNWSJKXHRCOLBQ-DNVCBOLYSA-N 2 1 387.455 3.743 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157272 866284903 /nfs/dbraw/zinc/28/49/03/866284903.db2.gz NNIKZXFBLPMVET-CABCVRRESA-N 2 1 393.447 3.767 20 5 GHBDMP CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861775 869911163 /nfs/dbraw/zinc/91/11/63/869911163.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000539861775 869911168 /nfs/dbraw/zinc/91/11/68/869911168.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000539861775 869911177 /nfs/dbraw/zinc/91/11/77/869911177.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[NH+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000539861775 869911182 /nfs/dbraw/zinc/91/11/82/869911182.db2.gz CDTHHHXBECRLDE-HXUWFJFHSA-N 2 1 383.492 3.947 20 5 GHBDMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000070870134 873077787 /nfs/dbraw/zinc/07/77/87/873077787.db2.gz OSLZSXOXGIEIIH-KRWDZBQOSA-N 2 1 396.491 3.698 20 5 GHBDMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498894304 886042447 /nfs/dbraw/zinc/04/24/47/886042447.db2.gz ULQUSZQIEOPXMZ-IBGZPJMESA-N 2 1 375.513 3.808 20 5 GHBDMP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866469278 888895972 /nfs/dbraw/zinc/89/59/72/888895972.db2.gz KOVCTVRKHCYJDB-FQEVSTJZSA-N 2 1 385.512 3.518 20 5 GHBDMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564848229 895280595 /nfs/dbraw/zinc/28/05/95/895280595.db2.gz DQAYKNYQIHCHGZ-MJGOQNOKSA-N 2 1 396.491 3.566 20 5 GHBDMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000564848229 895280609 /nfs/dbraw/zinc/28/06/09/895280609.db2.gz DQAYKNYQIHCHGZ-MJGOQNOKSA-N 2 1 396.491 3.566 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CC(C)C)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001173181454 906261572 /nfs/dbraw/zinc/26/15/72/906261572.db2.gz WMEWNSBCNFSXAF-BZUAXINKSA-N 2 1 381.492 3.901 20 5 GHBDMP CSC[C@H]1CCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001182043963 911145890 /nfs/dbraw/zinc/14/58/90/911145890.db2.gz RCJGAVRKPJIEIT-FQEVSTJZSA-N 2 1 391.581 3.924 20 5 GHBDMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000468557065 1015804131 /nfs/dbraw/zinc/80/41/31/1015804131.db2.gz VKUIUYNNYDSDGQ-SFHVURJKSA-N 2 1 389.540 3.929 20 5 GHBDMP CSCC[C@@H](C)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001461905922 1069865806 /nfs/dbraw/zinc/86/58/06/1069865806.db2.gz UEQHKNBNPMCTTJ-QGZVFWFLSA-N 2 1 379.570 3.923 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001254561838 1040334053 /nfs/dbraw/zinc/33/40/53/1040334053.db2.gz MIRNBCRAIPXNBC-FUHWJXTLSA-N 2 1 375.513 3.537 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376543 /nfs/dbraw/zinc/37/65/43/1040376543.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376554 /nfs/dbraw/zinc/37/65/54/1040376554.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376567 /nfs/dbraw/zinc/37/65/67/1040376567.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605543 1040376584 /nfs/dbraw/zinc/37/65/84/1040376584.db2.gz BGEMEAWWKXEBIA-DGWCAWEPSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC001326597213 1057519952 /nfs/dbraw/zinc/51/99/52/1057519952.db2.gz SWQRZAONCZVBKI-ZYJGPIPZSA-N 2 1 395.503 3.804 20 5 GHBDMP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000500959372 844347065 /nfs/dbraw/zinc/34/70/65/844347065.db2.gz CJJMDPCHHVJWGB-UHFFFAOYSA-N 2 1 396.491 3.520 20 5 GHBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH+](Cc2ccccc2)CC1 ZINC000500959372 844347079 /nfs/dbraw/zinc/34/70/79/844347079.db2.gz CJJMDPCHHVJWGB-UHFFFAOYSA-N 2 1 396.491 3.520 20 5 GHBDMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125847 839235136 /nfs/dbraw/zinc/23/51/36/839235136.db2.gz LLJQAVDODLNDDB-QFBILLFUSA-N 2 1 399.491 3.599 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000589326417 854792224 /nfs/dbraw/zinc/79/22/24/854792224.db2.gz FSXQXMLWUSPVDK-HXUWFJFHSA-N 2 1 383.492 3.995 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000589326417 854792227 /nfs/dbraw/zinc/79/22/27/854792227.db2.gz FSXQXMLWUSPVDK-HXUWFJFHSA-N 2 1 383.492 3.995 20 5 GHBDMP CCC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248432677 856173856 /nfs/dbraw/zinc/17/38/56/856173856.db2.gz CPDKOLPGKHKOKJ-FGZHOGPDSA-N 2 1 383.492 3.792 20 5 GHBDMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068524 858370585 /nfs/dbraw/zinc/37/05/85/858370585.db2.gz IKQGWYFAAARDJG-FGZHOGPDSA-N 2 1 383.492 3.792 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319695 881354238 /nfs/dbraw/zinc/35/42/38/881354238.db2.gz YRXCEBJTBSJJRZ-APWZRJJASA-N 2 1 375.513 3.779 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319695 881354258 /nfs/dbraw/zinc/35/42/58/881354258.db2.gz YRXCEBJTBSJJRZ-APWZRJJASA-N 2 1 375.513 3.779 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170322386 881358954 /nfs/dbraw/zinc/35/89/54/881358954.db2.gz FNAJXJBYFGINMB-NSISKUIASA-N 2 1 398.507 3.702 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593316307 859388918 /nfs/dbraw/zinc/38/89/18/859388918.db2.gz BQDCKWGVZDPCSI-LKUPVBHCSA-N 2 1 385.464 3.716 20 5 GHBDMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000539548307 869328169 /nfs/dbraw/zinc/32/81/69/869328169.db2.gz YGCXSPNKGBYWOE-UHFFFAOYSA-N 2 1 397.475 3.534 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797971 870629104 /nfs/dbraw/zinc/62/91/04/870629104.db2.gz HEGNRWAJVSLJBN-QFIXIFRTSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000538797971 870629108 /nfs/dbraw/zinc/62/91/08/870629108.db2.gz HEGNRWAJVSLJBN-QFIXIFRTSA-N 2 1 385.464 3.538 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447527458 871757804 /nfs/dbraw/zinc/75/78/04/871757804.db2.gz GBOIKGBVQJDHQZ-MJGOQNOKSA-N 2 1 398.442 3.698 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000540988368 872683009 /nfs/dbraw/zinc/68/30/09/872683009.db2.gz KILNUELEASIVDD-UTKZUKDTSA-N 2 1 383.492 3.711 20 5 GHBDMP O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000769426295 874050637 /nfs/dbraw/zinc/05/06/37/874050637.db2.gz OZBTZMFRXCLJPS-UHFFFAOYSA-N 2 1 381.476 3.628 20 5 GHBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000769426295 874050651 /nfs/dbraw/zinc/05/06/51/874050651.db2.gz OZBTZMFRXCLJPS-UHFFFAOYSA-N 2 1 381.476 3.628 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1)CC(C)C ZINC000776606137 878478658 /nfs/dbraw/zinc/47/86/58/878478658.db2.gz SCBRPVQZFFWKTH-OAQYLSRUSA-N 2 1 377.529 3.708 20 5 GHBDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000493311982 879375027 /nfs/dbraw/zinc/37/50/27/879375027.db2.gz VUIMERFIZFWWEA-IYBDPMFKSA-N 2 1 395.931 3.960 20 5 GHBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000493311982 879375046 /nfs/dbraw/zinc/37/50/46/879375046.db2.gz VUIMERFIZFWWEA-IYBDPMFKSA-N 2 1 395.931 3.960 20 5 GHBDMP Cc1c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498304 885872362 /nfs/dbraw/zinc/87/23/62/885872362.db2.gz YMNZZDLWMAWORB-NQIIRXRSSA-N 2 1 382.508 3.543 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323614 896568207 /nfs/dbraw/zinc/56/82/07/896568207.db2.gz NMSCPUDHDKTVLB-UGKGYDQZSA-N 2 1 383.492 3.520 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])CC2)oc1C ZINC000576715930 902212521 /nfs/dbraw/zinc/21/25/21/902212521.db2.gz NOFCUMPNIGHBNT-LJQANCHMSA-N 2 1 384.480 3.689 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](Cc2ccccc2)C[C@H](C)C[NH3+])c1F ZINC001173181504 906261126 /nfs/dbraw/zinc/26/11/26/906261126.db2.gz FDCIDBGQDLDMTM-CVEARBPZSA-N 2 1 389.471 3.771 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182228669 907164068 /nfs/dbraw/zinc/16/40/68/907164068.db2.gz PVKAOLXDCZFAAU-DYESRHJHSA-N 2 1 383.492 3.711 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181984084 911110110 /nfs/dbraw/zinc/11/01/10/911110110.db2.gz NRGQGGYCRBLUDH-HNNXBMFYSA-N 2 1 392.503 3.625 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181984084 911110123 /nfs/dbraw/zinc/11/01/23/911110123.db2.gz NRGQGGYCRBLUDH-HNNXBMFYSA-N 2 1 392.503 3.625 20 5 GHBDMP COc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469768878 930148745 /nfs/dbraw/zinc/14/87/45/930148745.db2.gz MGCHPJDDFKHGBD-IRXDYDNUSA-N 2 1 383.492 3.850 20 5 GHBDMP C[N@@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC001461831310 1069777606 /nfs/dbraw/zinc/77/76/06/1069777606.db2.gz PNLBIKDOXJDOID-JCURWCKSSA-N 2 1 375.856 3.938 20 5 GHBDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC001461831310 1069777612 /nfs/dbraw/zinc/77/76/12/1069777612.db2.gz PNLBIKDOXJDOID-JCURWCKSSA-N 2 1 375.856 3.938 20 5 GHBDMP Cc1cccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001206299848 1033786748 /nfs/dbraw/zinc/78/67/48/1033786748.db2.gz HAZPAFDQSLRTFO-UHFFFAOYSA-N 2 1 382.508 3.685 20 5 GHBDMP C[NH+](C)/C=C/c1cc(N[C@@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161827674 1035310698 /nfs/dbraw/zinc/31/06/98/1035310698.db2.gz PWENRCPFIAQGDP-OGECGYFKSA-N 2 1 399.470 3.814 20 5 GHBDMP CC(C)[N@@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@@H]1CCC[NH2+]CC1 ZINC001246592605 1037491662 /nfs/dbraw/zinc/49/16/62/1037491662.db2.gz KQNYRIPCWHUYDK-OAHLLOKOSA-N 2 1 396.482 3.694 20 5 GHBDMP Cc1ccc(F)cc1C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246953780 1037761993 /nfs/dbraw/zinc/76/19/93/1037761993.db2.gz CYTFREHMLCRDFP-QFIPXVFZSA-N 2 1 383.467 3.764 20 5 GHBDMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254481524 1040269799 /nfs/dbraw/zinc/26/97/99/1040269799.db2.gz DOSPMGWOFTYOIZ-UHFFFAOYSA-N 2 1 395.507 3.526 20 5 GHBDMP COc1cccc2c1C[N@@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001462509731 1070312868 /nfs/dbraw/zinc/31/28/68/1070312868.db2.gz PVKFKXAILTXCAA-UHFFFAOYSA-N 2 1 395.503 3.874 20 5 GHBDMP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC001325266533 1057302594 /nfs/dbraw/zinc/30/25/94/1057302594.db2.gz COXLTOQNNSGSLO-NSHDSACASA-N 2 1 382.258 3.705 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001460099385 1068781452 /nfs/dbraw/zinc/78/14/52/1068781452.db2.gz KYHATELZAMQRBO-JOCHJYFZSA-N 2 1 381.476 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001460099385 1068781454 /nfs/dbraw/zinc/78/14/54/1068781454.db2.gz KYHATELZAMQRBO-JOCHJYFZSA-N 2 1 381.476 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001460099385 1068781464 /nfs/dbraw/zinc/78/14/64/1068781464.db2.gz KYHATELZAMQRBO-JOCHJYFZSA-N 2 1 381.476 3.572 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001460099385 1068781468 /nfs/dbraw/zinc/78/14/68/1068781468.db2.gz KYHATELZAMQRBO-JOCHJYFZSA-N 2 1 381.476 3.572 20 5 GHBDMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000124009538 840599466 /nfs/dbraw/zinc/59/94/66/840599466.db2.gz HFRCRMOTRMUJDQ-UHFFFAOYSA-N 2 1 382.508 3.805 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475979 840814552 /nfs/dbraw/zinc/81/45/52/840814552.db2.gz RKXLCIRLLZOIRN-IIBYNOLFSA-N 2 1 381.476 3.593 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475979 840814561 /nfs/dbraw/zinc/81/45/61/840814561.db2.gz RKXLCIRLLZOIRN-IIBYNOLFSA-N 2 1 381.476 3.593 20 5 GHBDMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000105449166 841267271 /nfs/dbraw/zinc/26/72/71/841267271.db2.gz XTGFVDGBDKVXOG-UHFFFAOYSA-N 2 1 393.491 3.737 20 5 GHBDMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374818 850421783 /nfs/dbraw/zinc/42/17/83/850421783.db2.gz YSJPSFPVNYTJNK-DLBZAZTESA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435374821 850422153 /nfs/dbraw/zinc/42/21/53/850422153.db2.gz YSJPSFPVNYTJNK-SJORKVTESA-N 2 1 391.475 3.617 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436287981 851421690 /nfs/dbraw/zinc/42/16/90/851421690.db2.gz DKEBMRHDZIOESR-IPMKNSEASA-N 2 1 375.517 3.662 20 5 GHBDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237208352 855848977 /nfs/dbraw/zinc/84/89/77/855848977.db2.gz PFXAGDZEQJUFKX-UHFFFAOYSA-N 2 1 389.521 3.914 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000248441719 856460416 /nfs/dbraw/zinc/46/04/16/856460416.db2.gz KJDPDVZSPSZENT-XLIONFOSSA-N 2 1 383.492 3.711 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173327167 856858851 /nfs/dbraw/zinc/85/88/51/856858851.db2.gz KXHHRBSZFMGVIK-GOSISDBHSA-N 2 1 382.508 3.583 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+]2CCC([NH3+])(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 ZINC001170325599 881362115 /nfs/dbraw/zinc/36/21/15/881362115.db2.gz WNDZVFIBPMUQKE-OAHLLOKOSA-N 2 1 387.455 3.624 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000447587112 871892876 /nfs/dbraw/zinc/89/28/76/871892876.db2.gz OSDXUQSAQVGEKY-PBASOCQRSA-N 2 1 397.523 3.918 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000447587112 871892888 /nfs/dbraw/zinc/89/28/88/871892888.db2.gz OSDXUQSAQVGEKY-PBASOCQRSA-N 2 1 397.523 3.918 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585902 878234749 /nfs/dbraw/zinc/23/47/49/878234749.db2.gz CSGYDZBEAAKOEL-UWJYYQICSA-N 2 1 375.513 3.605 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000531965826 880831932 /nfs/dbraw/zinc/83/19/32/880831932.db2.gz GEXNSNZBDCWHQS-GCJKJVERSA-N 2 1 382.508 3.543 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000533408698 890480503 /nfs/dbraw/zinc/48/05/03/890480503.db2.gz HELDTECARUWGPU-OAHLLOKOSA-N 2 1 387.484 3.758 20 5 GHBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173224765 906308005 /nfs/dbraw/zinc/30/80/05/906308005.db2.gz LCTQYPJYXWUAHT-LPHOPBHVSA-N 2 1 375.513 3.537 20 5 GHBDMP C[NH+](C)/C=C/c1cc(N[C@H](c2cccc(F)c2)C2CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001161827673 1035310574 /nfs/dbraw/zinc/31/05/74/1035310574.db2.gz PWENRCPFIAQGDP-MAIVGLDJSA-N 2 1 399.470 3.814 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246336936 1037301189 /nfs/dbraw/zinc/30/11/89/1037301189.db2.gz PJFNTUQGJYRRQB-OAHLLOKOSA-N 2 1 387.455 3.542 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608399 1037501308 /nfs/dbraw/zinc/50/13/08/1037501308.db2.gz WMDQVXJLNVZIRT-IIBYNOLFSA-N 2 1 393.503 3.919 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608399 1037501336 /nfs/dbraw/zinc/50/13/36/1037501336.db2.gz WMDQVXJLNVZIRT-IIBYNOLFSA-N 2 1 393.503 3.919 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608401 1037501594 /nfs/dbraw/zinc/50/15/94/1037501594.db2.gz WMDQVXJLNVZIRT-KKSFZXQISA-N 2 1 393.503 3.919 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC[C@]3(CCCC[NH2+]C3)C2)c1F ZINC001246608401 1037501619 /nfs/dbraw/zinc/50/16/19/1037501619.db2.gz WMDQVXJLNVZIRT-KKSFZXQISA-N 2 1 393.503 3.919 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246619243 1037508722 /nfs/dbraw/zinc/50/87/22/1037508722.db2.gz JXFARIUFYVGSPR-RBBKRZOGSA-N 2 1 377.488 3.531 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608256 1040380957 /nfs/dbraw/zinc/38/09/57/1040380957.db2.gz QBBHISUANQEGOE-IEIRFRATSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608256 1040380972 /nfs/dbraw/zinc/38/09/72/1040380972.db2.gz QBBHISUANQEGOE-IEIRFRATSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)C2 ZINC001254608256 1040380986 /nfs/dbraw/zinc/38/09/86/1040380986.db2.gz QBBHISUANQEGOE-IEIRFRATSA-N 2 1 377.488 3.516 20 5 GHBDMP CCOc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000154150409 835221553 /nfs/dbraw/zinc/22/15/53/835221553.db2.gz SEHHKRPBOMAKIN-OAHLLOKOSA-N 2 1 399.495 3.720 20 5 GHBDMP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414869035 838918373 /nfs/dbraw/zinc/91/83/73/838918373.db2.gz BAQFTVKTXYNCMD-UHFFFAOYSA-N 2 1 382.489 3.988 20 5 GHBDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000261696577 839580415 /nfs/dbraw/zinc/58/04/15/839580415.db2.gz HUWNFQSAYOPURR-QGZVFWFLSA-N 2 1 394.269 3.788 20 5 GHBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537842685 840387366 /nfs/dbraw/zinc/38/73/66/840387366.db2.gz BCSLTSRUVXLWDQ-UHFFFAOYSA-N 2 1 384.480 3.607 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000432668836 843382492 /nfs/dbraw/zinc/38/24/92/843382492.db2.gz KVLSAHRYWHOCMH-IBGZPJMESA-N 2 1 387.505 3.679 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433545 857439973 /nfs/dbraw/zinc/43/99/73/857439973.db2.gz APZXDVPHXISNHM-DLBZAZTESA-N 2 1 386.521 3.930 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000595904554 858712272 /nfs/dbraw/zinc/71/22/72/858712272.db2.gz FZHJHKQBLWYTJI-TZMCWYRMSA-N 2 1 387.427 3.544 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000160315541 858792437 /nfs/dbraw/zinc/79/24/37/858792437.db2.gz DJQWAHRKOWCNQK-IBGZPJMESA-N 2 1 396.535 3.892 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000160348724 858828758 /nfs/dbraw/zinc/82/87/58/858828758.db2.gz VDQQPHRKVOCXBK-IBGZPJMESA-N 2 1 396.535 3.892 20 5 GHBDMP CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000603633174 860952700 /nfs/dbraw/zinc/95/27/00/860952700.db2.gz IEFFSVJEDHKFEA-SFHVURJKSA-N 2 1 380.492 3.937 20 5 GHBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919993 863372153 /nfs/dbraw/zinc/37/21/53/863372153.db2.gz CUGRZIFFSFUPEO-QFBILLFUSA-N 2 1 391.475 3.759 20 5 GHBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919993 863372168 /nfs/dbraw/zinc/37/21/68/863372168.db2.gz CUGRZIFFSFUPEO-QFBILLFUSA-N 2 1 391.475 3.759 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738090337 865484571 /nfs/dbraw/zinc/48/45/71/865484571.db2.gz OWPZJQIKZADGAY-UHFFFAOYSA-N 2 1 378.498 3.882 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738090337 865484574 /nfs/dbraw/zinc/48/45/74/865484574.db2.gz OWPZJQIKZADGAY-UHFFFAOYSA-N 2 1 378.498 3.882 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000618570492 871726425 /nfs/dbraw/zinc/72/64/25/871726425.db2.gz KCCPMSOZHFQCGS-PCCBWWKXSA-N 2 1 397.523 3.777 20 5 GHBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000447516628 871735611 /nfs/dbraw/zinc/73/56/11/871735611.db2.gz HMSFWZZNDJLBDJ-UXHICEINSA-N 2 1 383.496 3.529 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447554184 871843681 /nfs/dbraw/zinc/84/36/81/871843681.db2.gz ZGALIIACANFJQE-WOJBJXKFSA-N 2 1 385.512 3.905 20 5 GHBDMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449499522 874961305 /nfs/dbraw/zinc/96/13/05/874961305.db2.gz MFPYBMNDXQAIAP-SFHVURJKSA-N 2 1 377.448 3.864 20 5 GHBDMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819543 877588791 /nfs/dbraw/zinc/58/87/91/877588791.db2.gz SIOJSYGVEGWIPI-XLIONFOSSA-N 2 1 383.492 3.994 20 5 GHBDMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492819543 877588804 /nfs/dbraw/zinc/58/88/04/877588804.db2.gz SIOJSYGVEGWIPI-XLIONFOSSA-N 2 1 383.492 3.994 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120658 878827128 /nfs/dbraw/zinc/82/71/28/878827128.db2.gz NWOZGNHTPQVNOT-IFMALSPDSA-N 2 1 395.503 3.520 20 5 GHBDMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000498894307 886043548 /nfs/dbraw/zinc/04/35/48/886043548.db2.gz ULQUSZQIEOPXMZ-LJQANCHMSA-N 2 1 375.513 3.808 20 5 GHBDMP [NH3+]C1(c2cccc(F)c2)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906603 905933114 /nfs/dbraw/zinc/93/31/14/905933114.db2.gz YPAQJLDVQDCWHI-FQEVSTJZSA-N 2 1 383.467 3.931 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CC[NH+](C)C)c2ccccc2)c1F ZINC001173178246 906256686 /nfs/dbraw/zinc/25/66/86/906256686.db2.gz KMPNUGPSCMIMMT-MAUKXSAKSA-N 2 1 389.471 3.956 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]C1CCC(C)([NH+]2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903253140 922884690 /nfs/dbraw/zinc/88/46/90/922884690.db2.gz ITCDIHWATBQDHE-AATLZSDMSA-N 2 1 397.523 3.804 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839479593 1025972107 /nfs/dbraw/zinc/97/21/07/1025972107.db2.gz FGQBQTLNKJTKAT-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839479593 1025972110 /nfs/dbraw/zinc/97/21/10/1025972110.db2.gz FGQBQTLNKJTKAT-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C[NH2+]C2 ZINC001164492928 1026531021 /nfs/dbraw/zinc/53/10/21/1026531021.db2.gz PEFHPEKJYXWLQE-FFZOFVMBSA-N 2 1 378.476 3.521 20 5 GHBDMP COc1ccc(C[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C2CC[NH2+]CC2)cc1 ZINC001246955330 1037766309 /nfs/dbraw/zinc/76/63/09/1037766309.db2.gz RZPCGOMBURLFLT-KRWDZBQOSA-N 2 1 383.492 3.789 20 5 GHBDMP C[C@@H](C[NH3+])C[N@@H+](Cc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469986 1040256196 /nfs/dbraw/zinc/25/61/96/1040256196.db2.gz LANOQTLCCNOOQV-SFHVURJKSA-N 2 1 382.508 3.661 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH+]3CCC4(CCC[N@H+]4CC4CC4)CC3)CC2)cc1 ZINC001254474237 1040260571 /nfs/dbraw/zinc/26/05/71/1040260571.db2.gz IHGGQHMKCOCMIR-UHFFFAOYSA-N 2 1 398.551 3.904 20 5 GHBDMP C[N@@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603775 1040375601 /nfs/dbraw/zinc/37/56/01/1040375601.db2.gz QQZGSNSHRZLMLU-HSZRJFAPSA-N 2 1 379.504 3.906 20 5 GHBDMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414948478 839011163 /nfs/dbraw/zinc/01/11/63/839011163.db2.gz YNZCBOKNNQZXHZ-BZNIZROVSA-N 2 1 394.269 3.705 20 5 GHBDMP O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415042585 839109328 /nfs/dbraw/zinc/10/93/28/839109328.db2.gz QRMNARHINHDQIU-QGZVFWFLSA-N 2 1 391.855 3.509 20 5 GHBDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000261696575 839580187 /nfs/dbraw/zinc/58/01/87/839580187.db2.gz HUWNFQSAYOPURR-KRWDZBQOSA-N 2 1 394.269 3.788 20 5 GHBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426830305 852443558 /nfs/dbraw/zinc/44/35/58/852443558.db2.gz XFEQRRQIDFIGTJ-FGTMMUONSA-N 2 1 375.513 3.867 20 5 GHBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403191 857379751 /nfs/dbraw/zinc/37/97/51/857379751.db2.gz NFWBDFWFPFYYOF-DBVUQKKJSA-N 2 1 383.492 3.990 20 5 GHBDMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403191 857379759 /nfs/dbraw/zinc/37/97/59/857379759.db2.gz NFWBDFWFPFYYOF-DBVUQKKJSA-N 2 1 383.492 3.990 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426338 857398739 /nfs/dbraw/zinc/39/87/39/857398739.db2.gz WIDOMUPGNTXXAS-BEFAXECRSA-N 2 1 385.464 3.827 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426338 857398749 /nfs/dbraw/zinc/39/87/49/857398749.db2.gz WIDOMUPGNTXXAS-BEFAXECRSA-N 2 1 385.464 3.827 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000160320213 858809564 /nfs/dbraw/zinc/80/95/64/858809564.db2.gz WPZFTNQPGPEVRU-IBGZPJMESA-N 2 1 396.535 3.892 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593077 881565897 /nfs/dbraw/zinc/56/58/97/881565897.db2.gz ZIBRFOSCTRTZRQ-QFBILLFUSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593077 881565904 /nfs/dbraw/zinc/56/59/04/881565904.db2.gz ZIBRFOSCTRTZRQ-QFBILLFUSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593077 881565924 /nfs/dbraw/zinc/56/59/24/881565924.db2.gz ZIBRFOSCTRTZRQ-QFBILLFUSA-N 2 1 384.480 3.656 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000733899381 863330233 /nfs/dbraw/zinc/33/02/33/863330233.db2.gz YEHIQHBYFBNLET-UHFFFAOYSA-N 2 1 396.919 3.631 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000733899381 863330247 /nfs/dbraw/zinc/33/02/47/863330247.db2.gz YEHIQHBYFBNLET-UHFFFAOYSA-N 2 1 396.919 3.631 20 5 GHBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919992 863372540 /nfs/dbraw/zinc/37/25/40/863372540.db2.gz CUGRZIFFSFUPEO-LPHOPBHVSA-N 2 1 391.475 3.759 20 5 GHBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919992 863372552 /nfs/dbraw/zinc/37/25/52/863372552.db2.gz CUGRZIFFSFUPEO-LPHOPBHVSA-N 2 1 391.475 3.759 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797162 870627350 /nfs/dbraw/zinc/62/73/50/870627350.db2.gz QXUARBNZXGIDJN-PBEJRMEISA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797162 870627361 /nfs/dbraw/zinc/62/73/61/870627361.db2.gz QXUARBNZXGIDJN-PBEJRMEISA-N 2 1 385.464 3.538 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768926655 873696180 /nfs/dbraw/zinc/69/61/80/873696180.db2.gz LDSIQRNYMNIGFL-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768926655 873696185 /nfs/dbraw/zinc/69/61/85/873696185.db2.gz LDSIQRNYMNIGFL-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000563459447 893755407 /nfs/dbraw/zinc/75/54/07/893755407.db2.gz YNCHNYJHVYBDSU-NRFANRHFSA-N 2 1 383.492 3.994 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000563459447 893755412 /nfs/dbraw/zinc/75/54/12/893755412.db2.gz YNCHNYJHVYBDSU-NRFANRHFSA-N 2 1 383.492 3.994 20 5 GHBDMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000819190177 896460031 /nfs/dbraw/zinc/46/00/31/896460031.db2.gz MQHAVGLAZSGKOK-SFGWALBWSA-N 2 1 383.492 3.519 20 5 GHBDMP Cc1cccc(N(C2CC[NH2+]CC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[nH+]1 ZINC001172913931 905984208 /nfs/dbraw/zinc/98/42/08/905984208.db2.gz VVUZJIBEFQQGMO-LJQANCHMSA-N 2 1 380.492 3.804 20 5 GHBDMP CCC[N@@H+](CCC[NH+](C)C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173017352 906093637 /nfs/dbraw/zinc/09/36/37/906093637.db2.gz CJKKWAMBGUBUAI-UHFFFAOYSA-N 2 1 384.471 3.506 20 5 GHBDMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000798957533 932839889 /nfs/dbraw/zinc/83/98/89/932839889.db2.gz ZPDAEQRTBRMPCC-UHFFFAOYSA-N 2 1 399.438 3.513 20 5 GHBDMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513883 933304760 /nfs/dbraw/zinc/30/47/60/933304760.db2.gz JQHUJZJPZSYDTH-DBXWQHBBSA-N 2 1 399.539 3.765 20 5 GHBDMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccc([N+](=O)[O-])c3)cc2)C[C@H]1C ZINC001461386897 1069528986 /nfs/dbraw/zinc/52/89/86/1069528986.db2.gz DIPDCPYXWMJMDD-KDURUIRLSA-N 2 1 397.519 3.894 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127006 1029817868 /nfs/dbraw/zinc/81/78/68/1029817868.db2.gz NVOORRHTPRWNJW-HUUCEWRRSA-N 2 1 382.302 3.569 20 5 GHBDMP c1ccc([C@@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CC23C[NH2+]C3)cc1 ZINC001222609306 1030231987 /nfs/dbraw/zinc/23/19/87/1030231987.db2.gz MXEHDYAPUSETEQ-QFIPXVFZSA-N 2 1 380.495 3.972 20 5 GHBDMP c1ccc([C@@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)CC23C[NH2+]C3)cc1 ZINC001222609306 1030231997 /nfs/dbraw/zinc/23/19/97/1030231997.db2.gz MXEHDYAPUSETEQ-QFIPXVFZSA-N 2 1 380.495 3.972 20 5 GHBDMP C[N@@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC001461831317 1069777454 /nfs/dbraw/zinc/77/74/54/1069777454.db2.gz PNLBIKDOXJDOID-ZLIFDBKOSA-N 2 1 375.856 3.938 20 5 GHBDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC001461831317 1069777468 /nfs/dbraw/zinc/77/74/68/1069777468.db2.gz PNLBIKDOXJDOID-ZLIFDBKOSA-N 2 1 375.856 3.938 20 5 GHBDMP CC(C)[N@@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@H]1CCC[NH2+]CC1 ZINC001246592600 1037493412 /nfs/dbraw/zinc/49/34/12/1037493412.db2.gz KQNYRIPCWHUYDK-HNNXBMFYSA-N 2 1 396.482 3.694 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246959718 1037778006 /nfs/dbraw/zinc/77/80/06/1037778006.db2.gz XULKGOBWZCYMFO-LJQANCHMSA-N 2 1 387.430 3.594 20 5 GHBDMP COc1ccc(CC2([NH3+])CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254547775 1040315488 /nfs/dbraw/zinc/31/54/88/1040315488.db2.gz WQNFORNLKVNEGD-KRWDZBQOSA-N 2 1 383.492 3.570 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[NH+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@H]3C2)cc1 ZINC001254563403 1040335411 /nfs/dbraw/zinc/33/54/11/1040335411.db2.gz ZWJPSXGFMQNRNC-VLCRHTCISA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)oc1C ZINC001334169357 1051914095 /nfs/dbraw/zinc/91/40/95/1051914095.db2.gz VYCPEXROQRIUAN-UHFFFAOYSA-N 2 1 392.887 3.855 20 5 GHBDMP COc1ccc(-c2ccc(C[NH2+]CCCCn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000610271080 837320576 /nfs/dbraw/zinc/32/05/76/837320576.db2.gz LRGWZWLDZFWAKF-UHFFFAOYSA-N 2 1 384.436 3.938 20 5 GHBDMP Cn1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177583012 837980805 /nfs/dbraw/zinc/98/08/05/837980805.db2.gz FGHCWRRYZLISNX-UHFFFAOYSA-N 2 1 397.523 3.882 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+](C)CCCn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000584475812 841176655 /nfs/dbraw/zinc/17/66/55/841176655.db2.gz ASKXHQRGNAOPLD-UHFFFAOYSA-N 2 1 384.436 3.890 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+](C)CCCn3cc[nH+]c3C)o2)c([N+](=O)[O-])c1 ZINC000584475812 841176659 /nfs/dbraw/zinc/17/66/59/841176659.db2.gz ASKXHQRGNAOPLD-UHFFFAOYSA-N 2 1 384.436 3.890 20 5 GHBDMP COc1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000513500099 845554052 /nfs/dbraw/zinc/55/40/52/845554052.db2.gz KOHOHUPCSFOWPY-PXNSSMCTSA-N 2 1 383.492 3.994 20 5 GHBDMP Cc1c([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000423581158 849988152 /nfs/dbraw/zinc/98/81/52/849988152.db2.gz YVKIBDDZEPMGCK-GOSISDBHSA-N 2 1 382.508 3.547 20 5 GHBDMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797709 865290689 /nfs/dbraw/zinc/29/06/89/865290689.db2.gz QJLZIKPNZCCLTB-AVRDEDQJSA-N 2 1 382.508 3.624 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157329 866284986 /nfs/dbraw/zinc/28/49/86/866284986.db2.gz NNIKZXFBLPMVET-LSDHHAIUSA-N 2 1 393.447 3.767 20 5 GHBDMP C[NH+](C)CCCC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000766382374 870670338 /nfs/dbraw/zinc/67/03/38/870670338.db2.gz RFKGNLKWGKJSRN-UHFFFAOYSA-N 2 1 378.498 3.883 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000776276914 876146939 /nfs/dbraw/zinc/14/69/39/876146939.db2.gz LRYDQGKGTQHSKT-VGSWGCGISA-N 2 1 383.492 3.650 20 5 GHBDMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633837 878225335 /nfs/dbraw/zinc/22/53/35/878225335.db2.gz VGMCZMUCRXGWIK-DVSDUFGPSA-N 2 1 382.508 3.984 20 5 GHBDMP COc1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000537843858 878379087 /nfs/dbraw/zinc/37/90/87/878379087.db2.gz XQAJUMOMQMANNQ-UHFFFAOYSA-N 2 1 384.480 3.737 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120779 878829630 /nfs/dbraw/zinc/82/96/30/878829630.db2.gz QFWMMWYUEFYWSA-RBBKRZOGSA-N 2 1 395.503 3.520 20 5 GHBDMP O=[N+]([O-])c1ccccc1-c1nnc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000877959927 893915137 /nfs/dbraw/zinc/91/51/37/893915137.db2.gz WAXDTNKAINFSHB-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000819190176 896460318 /nfs/dbraw/zinc/46/03/18/896460318.db2.gz MQHAVGLAZSGKOK-LZNRXBQRSA-N 2 1 383.492 3.519 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001173224761 906307830 /nfs/dbraw/zinc/30/78/30/906307830.db2.gz LCTQYPJYXWUAHT-APWZRJJASA-N 2 1 375.513 3.537 20 5 GHBDMP COCCc1cc[nH+]c(NCC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001181706601 910924181 /nfs/dbraw/zinc/92/41/81/910924181.db2.gz AEHIWUQNWLUDSV-UHFFFAOYSA-N 2 1 398.507 3.545 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000749678403 927231637 /nfs/dbraw/zinc/23/16/37/927231637.db2.gz RTBOJLFJQNWLNA-IEGUWTFLSA-N 2 1 397.519 3.896 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC001219211024 1031306547 /nfs/dbraw/zinc/30/65/47/1031306547.db2.gz SCBFBGSHDGOWJQ-KRWDZBQOSA-N 2 1 398.457 3.946 20 5 GHBDMP C[NH+](C)/C=C/c1cc(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001161885973 1035322415 /nfs/dbraw/zinc/32/24/15/1035322415.db2.gz KCROGBRKZWDFFN-RDELFYGPSA-N 2 1 381.480 3.599 20 5 GHBDMP C[NH+](C)/C=C/c1cc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC001161885973 1035322418 /nfs/dbraw/zinc/32/24/18/1035322418.db2.gz KCROGBRKZWDFFN-RDELFYGPSA-N 2 1 381.480 3.599 20 5 GHBDMP Cc1ccc(C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246962424 1037783148 /nfs/dbraw/zinc/78/31/48/1037783148.db2.gz MWCPHORHGXZRQJ-NRFANRHFSA-N 2 1 383.467 3.764 20 5 GHBDMP Cc1ccc(C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C2CC[NH2+]CC2)c(F)c1 ZINC001246962424 1037783160 /nfs/dbraw/zinc/78/31/60/1037783160.db2.gz MWCPHORHGXZRQJ-NRFANRHFSA-N 2 1 383.467 3.764 20 5 GHBDMP COc1ccc(C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246964739 1037786405 /nfs/dbraw/zinc/78/64/05/1037786405.db2.gz NAGMAJXHIPEJPU-KCZVDYSFSA-N 2 1 395.503 3.843 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376205 /nfs/dbraw/zinc/37/62/05/1040376205.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376226 /nfs/dbraw/zinc/37/62/26/1040376226.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376240 /nfs/dbraw/zinc/37/62/40/1040376240.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 2 1 393.531 3.957 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]31)C2 ZINC001254605544 1040376260 /nfs/dbraw/zinc/37/62/60/1040376260.db2.gz BGEMEAWWKXEBIA-VQPDEGQRSA-N 2 1 393.531 3.957 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308600271 1050027651 /nfs/dbraw/zinc/02/76/51/1050027651.db2.gz YVAOYMRUEFOSSU-INIZCTEOSA-N 2 1 389.418 3.546 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308600271 1050027656 /nfs/dbraw/zinc/02/76/56/1050027656.db2.gz YVAOYMRUEFOSSU-INIZCTEOSA-N 2 1 389.418 3.546 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCC2 ZINC000417328566 840714752 /nfs/dbraw/zinc/71/47/52/840714752.db2.gz GTCUMZPPJISELG-FYYLOGMGSA-N 2 1 395.503 3.719 20 5 GHBDMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000237126042 845716454 /nfs/dbraw/zinc/71/64/54/845716454.db2.gz YVYZAEKJMGZNMC-UHFFFAOYSA-N 2 1 375.494 3.524 20 5 GHBDMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435428807 850511085 /nfs/dbraw/zinc/51/10/85/850511085.db2.gz SVXNRYSPMBBBPA-IBGZPJMESA-N 2 1 387.505 3.809 20 5 GHBDMP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426782150 852387719 /nfs/dbraw/zinc/38/77/19/852387719.db2.gz FWEZGMKGOLWBNB-FGTMMUONSA-N 2 1 375.513 3.867 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170314328 881344944 /nfs/dbraw/zinc/34/49/44/881344944.db2.gz URXRNDWHWJHSIT-SFHVURJKSA-N 2 1 397.519 3.831 20 5 GHBDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])s1)CCO2 ZINC000592526034 857672624 /nfs/dbraw/zinc/67/26/24/857672624.db2.gz FYHOJHHISLLANF-UHFFFAOYSA-N 2 1 387.505 3.620 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114475692 858054717 /nfs/dbraw/zinc/05/47/17/858054717.db2.gz LPRDQLSOZMGRJQ-KRWDZBQOSA-N 2 1 390.528 3.674 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114475692 858054721 /nfs/dbraw/zinc/05/47/21/858054721.db2.gz LPRDQLSOZMGRJQ-KRWDZBQOSA-N 2 1 390.528 3.674 20 5 GHBDMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532188284 881364534 /nfs/dbraw/zinc/36/45/34/881364534.db2.gz ZFSYTNCIPWCUSR-RTBURBONSA-N 2 1 388.537 3.686 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183158627 866285034 /nfs/dbraw/zinc/28/50/34/866285034.db2.gz IYTHNVTZIFJHAL-OAHLLOKOSA-N 2 1 393.447 3.768 20 5 GHBDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054857 871135487 /nfs/dbraw/zinc/13/54/87/871135487.db2.gz NWCHZMPBOLFTIH-MAUKXSAKSA-N 2 1 385.430 3.705 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447543804 871814439 /nfs/dbraw/zinc/81/44/39/871814439.db2.gz MLLUDHDGFBPZKT-ZSYWTGECSA-N 2 1 377.533 3.623 20 5 GHBDMP CN(c1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC000093443746 912271304 /nfs/dbraw/zinc/27/13/04/912271304.db2.gz GEQQQMLQGLTLLM-UHFFFAOYSA-N 2 1 394.519 3.684 20 5 GHBDMP CN(c1ccccc1C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)C1CC[NH+](C)CC1 ZINC000093443746 912271322 /nfs/dbraw/zinc/27/13/22/912271322.db2.gz GEQQQMLQGLTLLM-UHFFFAOYSA-N 2 1 394.519 3.684 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590551 878278848 /nfs/dbraw/zinc/27/88/48/878278848.db2.gz DUTSAWXQFGRYGK-GOTSBHOMSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590551 878278861 /nfs/dbraw/zinc/27/88/61/878278861.db2.gz DUTSAWXQFGRYGK-GOTSBHOMSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000776590551 878278876 /nfs/dbraw/zinc/27/88/76/878278876.db2.gz DUTSAWXQFGRYGK-GOTSBHOMSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590551 878278893 /nfs/dbraw/zinc/27/88/93/878278893.db2.gz DUTSAWXQFGRYGK-GOTSBHOMSA-N 2 1 395.503 3.616 20 5 GHBDMP CC(C)[N@@H+](C)CC1CCN(Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638561 912583268 /nfs/dbraw/zinc/58/32/68/912583268.db2.gz SOLUIPOTWIDJLY-UHFFFAOYSA-N 2 1 379.892 3.608 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638561 912583275 /nfs/dbraw/zinc/58/32/75/912583275.db2.gz SOLUIPOTWIDJLY-UHFFFAOYSA-N 2 1 379.892 3.608 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774638561 912583287 /nfs/dbraw/zinc/58/32/87/912583287.db2.gz SOLUIPOTWIDJLY-UHFFFAOYSA-N 2 1 379.892 3.608 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)CCC2 ZINC000193277332 885198512 /nfs/dbraw/zinc/19/85/12/885198512.db2.gz QSGHIUQZSJKTJB-FYYLOGMGSA-N 2 1 395.503 3.719 20 5 GHBDMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000809737427 887770489 /nfs/dbraw/zinc/77/04/89/887770489.db2.gz HQCRDKGEMYOFAO-UHFFFAOYSA-N 2 1 379.407 3.890 20 5 GHBDMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000809737427 887770501 /nfs/dbraw/zinc/77/05/01/887770501.db2.gz HQCRDKGEMYOFAO-UHFFFAOYSA-N 2 1 379.407 3.890 20 5 GHBDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2c3ccccc3c(Cl)c3ccccc32)CC1 ZINC000729680463 888485210 /nfs/dbraw/zinc/48/52/10/888485210.db2.gz OIBLGMNKDSOTSV-UHFFFAOYSA-N 2 1 395.934 3.900 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000819323713 896568147 /nfs/dbraw/zinc/56/81/47/896568147.db2.gz PJJKXZMTKFNWPO-DENIHFKCSA-N 2 1 383.492 3.520 20 5 GHBDMP [NH3+]C1(C[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 ZINC000600776976 902900363 /nfs/dbraw/zinc/90/03/63/902900363.db2.gz TUKIGGJJHLHDML-UHFFFAOYSA-N 2 1 391.855 3.638 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507375 908633862 /nfs/dbraw/zinc/63/38/62/908633862.db2.gz JNHHLPPSBMYBLG-HNNXBMFYSA-N 2 1 398.467 3.877 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507375 908633877 /nfs/dbraw/zinc/63/38/77/908633877.db2.gz JNHHLPPSBMYBLG-HNNXBMFYSA-N 2 1 398.467 3.877 20 5 GHBDMP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000559326570 932602257 /nfs/dbraw/zinc/60/22/57/932602257.db2.gz OLMYCQHLPHUPNB-OAQYLSRUSA-N 2 1 395.503 3.613 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513886 933304119 /nfs/dbraw/zinc/30/41/19/933304119.db2.gz JQHUJZJPZSYDTH-UEXGIBASSA-N 2 1 399.539 3.765 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513886 933304127 /nfs/dbraw/zinc/30/41/27/933304127.db2.gz JQHUJZJPZSYDTH-UEXGIBASSA-N 2 1 399.539 3.765 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513884 933304649 /nfs/dbraw/zinc/30/46/49/933304649.db2.gz JQHUJZJPZSYDTH-LVCYWYKZSA-N 2 1 399.539 3.765 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560513884 933304660 /nfs/dbraw/zinc/30/46/60/933304660.db2.gz JQHUJZJPZSYDTH-LVCYWYKZSA-N 2 1 399.539 3.765 20 5 GHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc1 ZINC000559326103 1017426704 /nfs/dbraw/zinc/42/67/04/1017426704.db2.gz BOHHMZYGRGUCFH-NRFANRHFSA-N 2 1 395.503 3.613 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246685378 1037547632 /nfs/dbraw/zinc/54/76/32/1037547632.db2.gz OMNDWOYTJFPZBI-OAOOKAIFSA-N 2 1 395.503 3.614 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001254577883 1040353625 /nfs/dbraw/zinc/35/36/25/1040353625.db2.gz HHRCLWZIAJXCJU-YSFYHYPLSA-N 2 1 377.488 3.847 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2F)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584875 1040357630 /nfs/dbraw/zinc/35/76/30/1040357630.db2.gz AUGSUPZFHJEPMF-ZJOUEHCJSA-N 2 1 383.467 3.973 20 5 GHBDMP CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC001307976978 1049735779 /nfs/dbraw/zinc/73/57/79/1049735779.db2.gz ZZVSGTXRTSLDQU-UHFFFAOYSA-N 2 1 384.480 3.507 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCCC(F)(F)CC3)CC2)cc1 ZINC001308863809 1050128989 /nfs/dbraw/zinc/12/89/89/1050128989.db2.gz NJZTUPXFBVBBMN-UHFFFAOYSA-N 2 1 381.467 3.971 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]2C1 ZINC001343333078 1053709583 /nfs/dbraw/zinc/70/95/83/1053709583.db2.gz NJODLJMBEHIFEH-GRYCIOLGSA-N 2 1 388.331 3.581 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]2C1 ZINC001343333078 1053709596 /nfs/dbraw/zinc/70/95/96/1053709596.db2.gz NJODLJMBEHIFEH-GRYCIOLGSA-N 2 1 388.331 3.581 20 5 GHBDMP COc1cccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001474403716 1074389728 /nfs/dbraw/zinc/38/97/28/1074389728.db2.gz PYKIETGQFSGPRQ-UHFFFAOYSA-N 2 1 397.519 3.990 20 5 GHBDMP CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029830 835754479 /nfs/dbraw/zinc/75/44/79/835754479.db2.gz NMBFFVUXNLXDFR-UHFFFAOYSA-N 2 1 398.507 3.816 20 5 GHBDMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000236623256 836292404 /nfs/dbraw/zinc/29/24/04/836292404.db2.gz MXNOLFFWQXFXTE-SFHVURJKSA-N 2 1 389.521 3.506 20 5 GHBDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415052536 839121577 /nfs/dbraw/zinc/12/15/77/839121577.db2.gz IHGZXHMRWMSUJQ-OPAMFIHVSA-N 2 1 399.491 3.599 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053488 839122485 /nfs/dbraw/zinc/12/24/85/839122485.db2.gz ORJXFDCKVNTSMH-HNAYVOBHSA-N 2 1 385.464 3.827 20 5 GHBDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351147 842138945 /nfs/dbraw/zinc/13/89/45/842138945.db2.gz JKGZWULRGCWBFS-MRXNPFEDSA-N 2 1 389.521 3.914 20 5 GHBDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCCO1 ZINC000432351147 842138951 /nfs/dbraw/zinc/13/89/51/842138951.db2.gz JKGZWULRGCWBFS-MRXNPFEDSA-N 2 1 389.521 3.914 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000249050644 842708603 /nfs/dbraw/zinc/70/86/03/842708603.db2.gz XIAGCBYGCMCDTQ-SBUREZEXSA-N 2 1 395.503 3.983 20 5 GHBDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374647 850422122 /nfs/dbraw/zinc/42/21/22/850422122.db2.gz JEPVPPBCGOQDHQ-VXGBXAGGSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000542924173 856838947 /nfs/dbraw/zinc/83/89/47/856838947.db2.gz GNRZMLAWZWIJNB-GJZGRUSLSA-N 2 1 381.904 3.569 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387865 /nfs/dbraw/zinc/38/78/65/881387865.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387890 /nfs/dbraw/zinc/38/78/90/881387890.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352914 881387905 /nfs/dbraw/zinc/38/79/05/881387905.db2.gz UDTMFWLXPNTFIC-UYAOXDASSA-N 2 1 397.519 3.988 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600566 881575008 /nfs/dbraw/zinc/57/50/08/881575008.db2.gz VCBMJHVMLPZFIN-JOCHJYFZSA-N 2 1 398.507 3.526 20 5 GHBDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600566 881575013 /nfs/dbraw/zinc/57/50/13/881575013.db2.gz VCBMJHVMLPZFIN-JOCHJYFZSA-N 2 1 398.507 3.526 20 5 GHBDMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000856600566 881575020 /nfs/dbraw/zinc/57/50/20/881575020.db2.gz VCBMJHVMLPZFIN-JOCHJYFZSA-N 2 1 398.507 3.526 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878289 881765991 /nfs/dbraw/zinc/76/59/91/881765991.db2.gz UKERFLCFQRIZFI-KXBFYZLASA-N 2 1 384.436 3.503 20 5 GHBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594176 864770573 /nfs/dbraw/zinc/77/05/73/864770573.db2.gz DPKMTZMDPSOGPF-SFHVURJKSA-N 2 1 375.513 3.541 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898046 869987355 /nfs/dbraw/zinc/98/73/55/869987355.db2.gz JEKOLHAHMRSVCC-QFUCXCTJSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898046 869987362 /nfs/dbraw/zinc/98/73/62/869987362.db2.gz JEKOLHAHMRSVCC-QFUCXCTJSA-N 2 1 385.464 3.538 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000449096176 874466525 /nfs/dbraw/zinc/46/65/25/874466525.db2.gz FJORLISSCXSGLU-ROUUACIJSA-N 2 1 383.492 3.536 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000449096176 874466529 /nfs/dbraw/zinc/46/65/29/874466529.db2.gz FJORLISSCXSGLU-ROUUACIJSA-N 2 1 383.492 3.536 20 5 GHBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214933 883669059 /nfs/dbraw/zinc/66/90/59/883669059.db2.gz RFJOGTMWABHKKK-OAHLLOKOSA-N 2 1 395.463 3.899 20 5 GHBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214933 883669069 /nfs/dbraw/zinc/66/90/69/883669069.db2.gz RFJOGTMWABHKKK-OAHLLOKOSA-N 2 1 395.463 3.899 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)CC2)oc1C ZINC000873051691 891444881 /nfs/dbraw/zinc/44/48/81/891444881.db2.gz MYMVPGPYNYYHCI-UHFFFAOYSA-N 2 1 386.496 3.818 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000813371415 891555976 /nfs/dbraw/zinc/55/59/76/891555976.db2.gz ZATJTBJSTSYVKR-JOCHJYFZSA-N 2 1 395.503 3.616 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154459532 892318192 /nfs/dbraw/zinc/31/81/92/892318192.db2.gz OZYOKDRJIIUIFJ-UTKZUKDTSA-N 2 1 375.513 3.605 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818959392 896295828 /nfs/dbraw/zinc/29/58/28/896295828.db2.gz JFDWODLRWPGMSU-VGOFRKELSA-N 2 1 383.492 3.792 20 5 GHBDMP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676723 897331318 /nfs/dbraw/zinc/33/13/18/897331318.db2.gz OSSVCEGZGLKDRT-DHIUTWEWSA-N 2 1 394.519 3.551 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583510 921162230 /nfs/dbraw/zinc/16/22/30/921162230.db2.gz ZIOLQBOVFSVEGL-LEWJYISDSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583510 921162233 /nfs/dbraw/zinc/16/22/33/921162233.db2.gz ZIOLQBOVFSVEGL-LEWJYISDSA-N 2 1 383.492 3.519 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000749675147 927230221 /nfs/dbraw/zinc/23/02/21/927230221.db2.gz IRQPWJPODSOUAG-JTSKRJEESA-N 2 1 383.492 3.650 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000798002373 932486595 /nfs/dbraw/zinc/48/65/95/932486595.db2.gz FVXFDBONVNXLFB-QFIPXVFZSA-N 2 1 386.540 3.950 20 5 GHBDMP C[NH+](C)/C=C/c1cc(NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)ncc1[N+](=O)[O-] ZINC001163320216 1026142904 /nfs/dbraw/zinc/14/29/04/1026142904.db2.gz PLSAFDVRDUTGGE-VGMNTSGFSA-N 2 1 385.512 3.755 20 5 GHBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727965 1026360737 /nfs/dbraw/zinc/36/07/37/1026360737.db2.gz JLRCIWXZQMHSEL-HXUWFJFHSA-N 2 1 375.516 3.635 20 5 GHBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141727965 1026360747 /nfs/dbraw/zinc/36/07/47/1026360747.db2.gz JLRCIWXZQMHSEL-HXUWFJFHSA-N 2 1 375.516 3.635 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC001167024361 1027206172 /nfs/dbraw/zinc/20/61/72/1027206172.db2.gz VMMVLESYXCRVCX-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001246669859 1037537553 /nfs/dbraw/zinc/53/75/53/1037537553.db2.gz ACECSDBWEAJCAP-RZFNWQHOSA-N 2 1 379.504 3.779 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@@H]3CC[NH+]3CCCC3)CC2)cc1 ZINC001254479454 1040265915 /nfs/dbraw/zinc/26/59/15/1040265915.db2.gz ZWEJNJSTOWPVHG-HXUWFJFHSA-N 2 1 386.540 3.904 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cccc(F)c2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254588006 1040360891 /nfs/dbraw/zinc/36/08/91/1040360891.db2.gz UQHOJCZKZVBVBU-KCZVDYSFSA-N 2 1 383.467 3.973 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CC[C@@H](c4ccccn4)C3)CC2)cc1 ZINC001308717713 1050070151 /nfs/dbraw/zinc/07/01/51/1050070151.db2.gz KUEVSPIBWZLANI-OAQYLSRUSA-N 2 1 394.519 3.734 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979270 /nfs/dbraw/zinc/97/92/70/1073979270.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979274 /nfs/dbraw/zinc/97/92/74/1073979274.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466612 1073979276 /nfs/dbraw/zinc/97/92/76/1073979276.db2.gz JMWKVSORJDXHQK-QHCPKHFHSA-N 2 1 395.503 3.962 20 5 GHBDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1 ZINC000120796562 836539730 /nfs/dbraw/zinc/53/97/30/836539730.db2.gz KFZJURZBLJJQTB-LJQANCHMSA-N 2 1 399.491 3.614 20 5 GHBDMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180452934 837267879 /nfs/dbraw/zinc/26/78/79/837267879.db2.gz UDHXUIOYHJUTIA-HSZRJFAPSA-N 2 1 396.535 3.547 20 5 GHBDMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414948679 839011458 /nfs/dbraw/zinc/01/14/58/839011458.db2.gz YNZCBOKNNQZXHZ-MEDUHNTESA-N 2 1 394.269 3.705 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)o2)c([N+](=O)[O-])c1 ZINC000415053490 839122084 /nfs/dbraw/zinc/12/20/84/839122084.db2.gz ORJXFDCKVNTSMH-KXBFYZLASA-N 2 1 385.464 3.827 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311730 839229085 /nfs/dbraw/zinc/22/90/85/839229085.db2.gz OZSQZUAVOVBSJK-QFBILLFUSA-N 2 1 399.491 3.742 20 5 GHBDMP CCCn1ccnc1CCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277126722 844709876 /nfs/dbraw/zinc/70/98/76/844709876.db2.gz IFEFMGDDTCHIBM-UHFFFAOYSA-N 2 1 397.479 3.963 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277126722 844709882 /nfs/dbraw/zinc/70/98/82/844709882.db2.gz IFEFMGDDTCHIBM-UHFFFAOYSA-N 2 1 397.479 3.963 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000277126722 844709890 /nfs/dbraw/zinc/70/98/90/844709890.db2.gz IFEFMGDDTCHIBM-UHFFFAOYSA-N 2 1 397.479 3.963 20 5 GHBDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435386937 850453946 /nfs/dbraw/zinc/45/39/46/850453946.db2.gz ZCQRTPRTFRIYTF-GFCCVEGCSA-N 2 1 394.269 3.788 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248452511 856653609 /nfs/dbraw/zinc/65/36/09/856653609.db2.gz PVKAOLXDCZFAAU-UTKZUKDTSA-N 2 1 383.492 3.711 20 5 GHBDMP CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000592427770 857403553 /nfs/dbraw/zinc/40/35/53/857403553.db2.gz ZQOBBUZHVDMWFK-QUCCMNQESA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000592427770 857403555 /nfs/dbraw/zinc/40/35/55/857403555.db2.gz ZQOBBUZHVDMWFK-QUCCMNQESA-N 2 1 399.491 3.742 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170326069 881362790 /nfs/dbraw/zinc/36/27/90/881362790.db2.gz CZGJYVFYIHFEMT-QRFRQXIXSA-N 2 1 398.507 3.702 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000539072270 871261130 /nfs/dbraw/zinc/26/11/30/871261130.db2.gz PFDCUFHUDAAKBH-KRWDZBQOSA-N 2 1 398.507 3.942 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000447518402 871740640 /nfs/dbraw/zinc/74/06/40/871740640.db2.gz VUTCKHBSAWXKTD-QFIPXVFZSA-N 2 1 381.476 3.594 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC001194692614 871891489 /nfs/dbraw/zinc/89/14/89/871891489.db2.gz QFJSMHRULRALQM-UHFFFAOYSA-N 2 1 395.503 3.962 20 5 GHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000179915348 878211493 /nfs/dbraw/zinc/21/14/93/878211493.db2.gz DONBEDCHTMIJMZ-UHFFFAOYSA-N 2 1 394.479 3.536 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590556 878278961 /nfs/dbraw/zinc/27/89/61/878278961.db2.gz DUTSAWXQFGRYGK-PKTZIBPZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000776590556 878278980 /nfs/dbraw/zinc/27/89/80/878278980.db2.gz DUTSAWXQFGRYGK-PKTZIBPZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000776590556 878278998 /nfs/dbraw/zinc/27/89/98/878278998.db2.gz DUTSAWXQFGRYGK-PKTZIBPZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000776590556 878279012 /nfs/dbraw/zinc/27/90/12/878279012.db2.gz DUTSAWXQFGRYGK-PKTZIBPZSA-N 2 1 395.503 3.616 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120659 878828982 /nfs/dbraw/zinc/82/89/82/878828982.db2.gz NWOZGNHTPQVNOT-IRLDBZIGSA-N 2 1 395.503 3.520 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000531677700 880308946 /nfs/dbraw/zinc/30/89/46/880308946.db2.gz POEFGNHMAXHHIN-QFBILLFUSA-N 2 1 388.537 3.604 20 5 GHBDMP CC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480990 885800191 /nfs/dbraw/zinc/80/01/91/885800191.db2.gz LEZSOKHWIAXERK-YADHBBJMSA-N 2 1 382.508 3.624 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290443880 914684275 /nfs/dbraw/zinc/68/42/75/914684275.db2.gz LYVIRWAQKJLAPQ-UHFFFAOYSA-N 2 1 396.495 3.666 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000290443880 914684285 /nfs/dbraw/zinc/68/42/85/914684285.db2.gz LYVIRWAQKJLAPQ-UHFFFAOYSA-N 2 1 396.495 3.666 20 5 GHBDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H](C)C1 ZINC001173014557 906092675 /nfs/dbraw/zinc/09/26/75/906092675.db2.gz SEKJEPWOVRFYEQ-AUUYWEPGSA-N 2 1 396.482 3.550 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CC[NH+](C)C)c2ccccc2)c1F ZINC001173178245 906257122 /nfs/dbraw/zinc/25/71/22/906257122.db2.gz KMPNUGPSCMIMMT-CRAIPNDOSA-N 2 1 389.471 3.956 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182227892 907161243 /nfs/dbraw/zinc/16/12/43/907161243.db2.gz KJDPDVZSPSZENT-FXAWDEMLSA-N 2 1 383.492 3.711 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232300 1069454757 /nfs/dbraw/zinc/45/47/57/1069454757.db2.gz OGMCGTIYQIBDJD-DNVCBOLYSA-N 2 1 375.494 3.838 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232300 1069454761 /nfs/dbraw/zinc/45/47/61/1069454761.db2.gz OGMCGTIYQIBDJD-DNVCBOLYSA-N 2 1 375.494 3.838 20 5 GHBDMP COc1ccc(C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001246964741 1037788259 /nfs/dbraw/zinc/78/82/59/1037788259.db2.gz NAGMAJXHIPEJPU-ONTIZHBOSA-N 2 1 395.503 3.843 20 5 GHBDMP C[N@H+]1CCC[C@H]1C[C@H]1CCCC[NH+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479766 1040265466 /nfs/dbraw/zinc/26/54/66/1040265466.db2.gz KRTVSWPSKUHQHB-FCHUYYIVSA-N 2 1 386.540 3.902 20 5 GHBDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479766 1040265483 /nfs/dbraw/zinc/26/54/83/1040265483.db2.gz KRTVSWPSKUHQHB-FCHUYYIVSA-N 2 1 386.540 3.902 20 5 GHBDMP C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254479766 1040265498 /nfs/dbraw/zinc/26/54/98/1040265498.db2.gz KRTVSWPSKUHQHB-FCHUYYIVSA-N 2 1 386.540 3.902 20 5 GHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC001339862406 1059523574 /nfs/dbraw/zinc/52/35/74/1059523574.db2.gz QFALALSKXNVDKH-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000180737970 837506464 /nfs/dbraw/zinc/50/64/64/837506464.db2.gz QUMFDPCRDAQJNV-FQEVSTJZSA-N 2 1 387.524 3.541 20 5 GHBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430956285 843252265 /nfs/dbraw/zinc/25/22/65/843252265.db2.gz NYKZDSUSZVZRQI-SFHVURJKSA-N 2 1 388.556 3.784 20 5 GHBDMP COc1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000513499026 845553132 /nfs/dbraw/zinc/55/31/32/845553132.db2.gz DBGCYYNCUSBPIM-FUHWJXTLSA-N 2 1 399.491 3.699 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)o2)c1 ZINC000157089707 845846539 /nfs/dbraw/zinc/84/65/39/845846539.db2.gz LRTFOHWXCOXGPA-GOSISDBHSA-N 2 1 384.480 3.743 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489673742 852523441 /nfs/dbraw/zinc/52/34/41/852523441.db2.gz BEEHFTGNIQLYDJ-UHFFFAOYSA-N 2 1 383.492 3.947 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426342 857398971 /nfs/dbraw/zinc/39/89/71/857398971.db2.gz WIDOMUPGNTXXAS-KXBFYZLASA-N 2 1 385.464 3.827 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426342 857398989 /nfs/dbraw/zinc/39/89/89/857398989.db2.gz WIDOMUPGNTXXAS-KXBFYZLASA-N 2 1 385.464 3.827 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000160426975 858896970 /nfs/dbraw/zinc/89/69/70/858896970.db2.gz ZJLHJCLHAKBVLX-JOCHJYFZSA-N 2 1 395.503 3.538 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344556 881464886 /nfs/dbraw/zinc/46/48/86/881464886.db2.gz BXVUMZFHYYKKOU-YYWHXJBOSA-N 2 1 395.503 3.598 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000538749589 870559498 /nfs/dbraw/zinc/55/94/98/870559498.db2.gz VRGKXIYQUKCEKJ-LJQANCHMSA-N 2 1 387.480 3.788 20 5 GHBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054859 871135646 /nfs/dbraw/zinc/13/56/46/871135646.db2.gz NWCHZMPBOLFTIH-QAPCUYQASA-N 2 1 385.430 3.705 20 5 GHBDMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000181625908 871292220 /nfs/dbraw/zinc/29/22/20/871292220.db2.gz JHYAJIROGXZYIU-MRXNPFEDSA-N 2 1 386.471 3.727 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000447587113 871891827 /nfs/dbraw/zinc/89/18/27/871891827.db2.gz OSDXUQSAQVGEKY-WLRLJWMZSA-N 2 1 397.523 3.918 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000447587113 871891849 /nfs/dbraw/zinc/89/18/49/871891849.db2.gz OSDXUQSAQVGEKY-WLRLJWMZSA-N 2 1 397.523 3.918 20 5 GHBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443595315 874300409 /nfs/dbraw/zinc/30/04/09/874300409.db2.gz SOIYKNWCVCCCIL-KRWDZBQOSA-N 2 1 388.512 3.510 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000093597652 912356278 /nfs/dbraw/zinc/35/62/78/912356278.db2.gz FIKFGJXKYPKOGJ-MRXNPFEDSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000093597652 912356299 /nfs/dbraw/zinc/35/62/99/912356299.db2.gz FIKFGJXKYPKOGJ-MRXNPFEDSA-N 2 1 385.464 3.781 20 5 GHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000248872533 912506357 /nfs/dbraw/zinc/50/63/57/912506357.db2.gz IGIDIJQEQVPYSV-ORYQWCPZSA-N 2 1 375.513 3.699 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170290343 881337626 /nfs/dbraw/zinc/33/76/26/881337626.db2.gz AEFYLDAFMXVRQY-KRWDZBQOSA-N 2 1 383.492 3.789 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000813371416 891555856 /nfs/dbraw/zinc/55/58/56/891555856.db2.gz ZATJTBJSTSYVKR-QFIPXVFZSA-N 2 1 395.503 3.616 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959280 896298429 /nfs/dbraw/zinc/29/84/29/896298429.db2.gz HIPZAFXJMRSWGT-VGSWGCGISA-N 2 1 383.492 3.650 20 5 GHBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100957 896377148 /nfs/dbraw/zinc/37/71/48/896377148.db2.gz XMORMIFSAXWJMP-QFIPXVFZSA-N 2 1 395.459 3.643 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678433 927232122 /nfs/dbraw/zinc/23/21/22/927232122.db2.gz SAAKJXCASKGTBY-HTAPYJJXSA-N 2 1 383.492 3.792 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCCC2 ZINC000417328569 840715065 /nfs/dbraw/zinc/71/50/65/840715065.db2.gz GTCUMZPPJISELG-GGAORHGYSA-N 2 1 395.503 3.719 20 5 GHBDMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092405 851232453 /nfs/dbraw/zinc/23/24/53/851232453.db2.gz FFMWMKASBYEVLB-OPYAIIAOSA-N 2 1 399.539 3.765 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426341 857399226 /nfs/dbraw/zinc/39/92/26/857399226.db2.gz WIDOMUPGNTXXAS-HNAYVOBHSA-N 2 1 385.464 3.827 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)o2)c([N+](=O)[O-])c1 ZINC000592426341 857399239 /nfs/dbraw/zinc/39/92/39/857399239.db2.gz WIDOMUPGNTXXAS-HNAYVOBHSA-N 2 1 385.464 3.827 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433548 857439778 /nfs/dbraw/zinc/43/97/78/857439778.db2.gz APZXDVPHXISNHM-IAGOWNOFSA-N 2 1 386.521 3.930 20 5 GHBDMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532188281 881364275 /nfs/dbraw/zinc/36/42/75/881364275.db2.gz ZFSYTNCIPWCUSR-MOPGFXCFSA-N 2 1 388.537 3.686 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000593316233 859388726 /nfs/dbraw/zinc/38/87/26/859388726.db2.gz BFXQDOJVQLVGEZ-JJXUHFIVSA-N 2 1 385.464 3.716 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000593316831 859394477 /nfs/dbraw/zinc/39/44/77/859394477.db2.gz YSKKCUQHZRSWDZ-CBGDNZLLSA-N 2 1 385.464 3.573 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000183680575 867199564 /nfs/dbraw/zinc/19/95/64/867199564.db2.gz VMEZCGSGYQGMND-OAHLLOKOSA-N 2 1 393.447 3.687 20 5 GHBDMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195488 870148136 /nfs/dbraw/zinc/14/81/36/870148136.db2.gz FEWWRCFGJRDCAV-APWZRJJASA-N 2 1 399.491 3.755 20 5 GHBDMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195488 870148144 /nfs/dbraw/zinc/14/81/44/870148144.db2.gz FEWWRCFGJRDCAV-APWZRJJASA-N 2 1 399.491 3.755 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000449096175 874466419 /nfs/dbraw/zinc/46/64/19/874466419.db2.gz FJORLISSCXSGLU-QZTJIDSGSA-N 2 1 383.492 3.536 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000449096175 874466424 /nfs/dbraw/zinc/46/64/24/874466424.db2.gz FJORLISSCXSGLU-QZTJIDSGSA-N 2 1 383.492 3.536 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000531677701 880309457 /nfs/dbraw/zinc/30/94/57/880309457.db2.gz POEFGNHMAXHHIN-VQIMIIECSA-N 2 1 388.537 3.604 20 5 GHBDMP C[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815621676 894054536 /nfs/dbraw/zinc/05/45/36/894054536.db2.gz AGGDGHQNPKVGPJ-QGLTVNCISA-N 2 1 386.418 3.633 20 5 GHBDMP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H](C)C1 ZINC001173014558 906091621 /nfs/dbraw/zinc/09/16/21/906091621.db2.gz SEKJEPWOVRFYEQ-IFXJQAMLSA-N 2 1 396.482 3.550 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001173181200 906259515 /nfs/dbraw/zinc/25/95/15/906259515.db2.gz OELPPDYTHDKWEM-BPUTZDHNSA-N 2 1 379.476 3.655 20 5 GHBDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799992 915112091 /nfs/dbraw/zinc/11/20/91/915112091.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1C[C@@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799992 915112093 /nfs/dbraw/zinc/11/20/93/915112093.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799992 915112096 /nfs/dbraw/zinc/11/20/96/915112096.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799992 915112104 /nfs/dbraw/zinc/11/21/04/915112104.db2.gz WOYQJRUDRUPJIZ-QUCCMNQESA-N 2 1 383.492 3.959 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000925806529 1017151627 /nfs/dbraw/zinc/15/16/27/1017151627.db2.gz FFXLVBZBMXJNTJ-HXUWFJFHSA-N 2 1 385.512 3.567 20 5 GHBDMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001219980902 1031729109 /nfs/dbraw/zinc/72/91/09/1031729109.db2.gz QOFGDSBGNMKEEV-KOSHJBKYSA-N 2 1 389.543 3.711 20 5 GHBDMP CCc1ccc(C[N@H+](CC[NH3+])C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001246354824 1037313064 /nfs/dbraw/zinc/31/30/64/1037313064.db2.gz ZMWJQPAGOFYRSO-UHFFFAOYSA-N 2 1 382.508 3.587 20 5 GHBDMP CCc1ccc(C[N@@H+](CC[NH3+])C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC001246354824 1037313084 /nfs/dbraw/zinc/31/30/84/1037313084.db2.gz ZMWJQPAGOFYRSO-UHFFFAOYSA-N 2 1 382.508 3.587 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC1)[NH2+]Cc1ccccc13)CC2 ZINC001247006958 1037832999 /nfs/dbraw/zinc/83/29/99/1037832999.db2.gz BGYWWRIEKQFLLR-HXUWFJFHSA-N 2 1 377.488 3.937 20 5 GHBDMP [NH3+]C1(c2cccc(F)c2)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470792 1040256652 /nfs/dbraw/zinc/25/66/52/1040256652.db2.gz VJVWUSLFAKKDOK-UHFFFAOYSA-N 2 1 398.482 3.653 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC001355372340 1057135789 /nfs/dbraw/zinc/13/57/89/1057135789.db2.gz BBLJRIAJQGPFQH-JFIYKMOQSA-N 2 1 386.521 3.880 20 5 GHBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1Br ZINC000849349517 1067816814 /nfs/dbraw/zinc/81/68/14/1067816814.db2.gz BVYHPHVQSLMFFM-OAHLLOKOSA-N 2 1 382.302 3.569 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Oc1ccc(F)cc1 ZINC000581884654 837740965 /nfs/dbraw/zinc/74/09/65/837740965.db2.gz RLIOCGNRAUHMCX-CALCHBBNSA-N 2 1 385.439 3.958 20 5 GHBDMP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414932855 839003177 /nfs/dbraw/zinc/00/31/77/839003177.db2.gz WCHLBNITBXHPRJ-MSOLQXFVSA-N 2 1 385.464 3.542 20 5 GHBDMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000261916978 839874613 /nfs/dbraw/zinc/87/46/13/839874613.db2.gz YGAQCUCIBYVXPF-QFIPXVFZSA-N 2 1 391.475 3.618 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCCC2 ZINC000417333823 840736393 /nfs/dbraw/zinc/73/63/93/840736393.db2.gz ZFNHFQZQCWSWNE-QHCPKHFHSA-N 2 1 395.503 3.984 20 5 GHBDMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000538724070 845585112 /nfs/dbraw/zinc/58/51/12/845585112.db2.gz QDJHHCHYORESEF-UHFFFAOYSA-N 2 1 388.556 3.531 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506939 861752942 /nfs/dbraw/zinc/75/29/42/861752942.db2.gz BCHUITVUXKDQNY-RBUKOAKNSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506939 861752949 /nfs/dbraw/zinc/75/29/49/861752949.db2.gz BCHUITVUXKDQNY-RBUKOAKNSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506939 861752957 /nfs/dbraw/zinc/75/29/57/861752957.db2.gz BCHUITVUXKDQNY-RBUKOAKNSA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506939 861752962 /nfs/dbraw/zinc/75/29/62/861752962.db2.gz BCHUITVUXKDQNY-RBUKOAKNSA-N 2 1 375.513 3.950 20 5 GHBDMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000423322753 849856467 /nfs/dbraw/zinc/85/64/67/849856467.db2.gz GTWZBXUGYQKMAF-NDXORKPFSA-N 2 1 383.492 3.660 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436287977 851422223 /nfs/dbraw/zinc/42/22/23/851422223.db2.gz DKEBMRHDZIOESR-CEXWTWQISA-N 2 1 375.517 3.662 20 5 GHBDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@@H](C)O1 ZINC000542924174 856838587 /nfs/dbraw/zinc/83/85/87/856838587.db2.gz GNRZMLAWZWIJNB-HUUCEWRRSA-N 2 1 381.904 3.569 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000114197093 857935857 /nfs/dbraw/zinc/93/58/57/857935857.db2.gz CPWXMMBYUFRMJZ-UHFFFAOYSA-N 2 1 390.528 3.676 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585369 881557956 /nfs/dbraw/zinc/55/79/56/881557956.db2.gz CSIIUGMQCQLRHL-LAUBAEHRSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585369 881557968 /nfs/dbraw/zinc/55/79/68/881557968.db2.gz CSIIUGMQCQLRHL-LAUBAEHRSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585369 881557977 /nfs/dbraw/zinc/55/79/77/881557977.db2.gz CSIIUGMQCQLRHL-LAUBAEHRSA-N 2 1 398.507 3.964 20 5 GHBDMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819541 877588178 /nfs/dbraw/zinc/58/81/78/877588178.db2.gz SIOJSYGVEGWIPI-FXAWDEMLSA-N 2 1 383.492 3.994 20 5 GHBDMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819541 877588191 /nfs/dbraw/zinc/58/81/91/877588191.db2.gz SIOJSYGVEGWIPI-FXAWDEMLSA-N 2 1 383.492 3.994 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120660 878829580 /nfs/dbraw/zinc/82/95/80/878829580.db2.gz NWOZGNHTPQVNOT-RBBKRZOGSA-N 2 1 395.503 3.520 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000531677698 880309246 /nfs/dbraw/zinc/30/92/46/880309246.db2.gz POEFGNHMAXHHIN-APWZRJJASA-N 2 1 388.537 3.604 20 5 GHBDMP Cc1c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000531932333 880783550 /nfs/dbraw/zinc/78/35/50/880783550.db2.gz MPXUGVNQSVYVKB-LPHOPBHVSA-N 2 1 388.537 3.604 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCCCN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504912 887604644 /nfs/dbraw/zinc/60/46/44/887604644.db2.gz HYNGRZIZTBBQRQ-FXAWDEMLSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504912 887604652 /nfs/dbraw/zinc/60/46/52/887604652.db2.gz HYNGRZIZTBBQRQ-FXAWDEMLSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504912 887604665 /nfs/dbraw/zinc/60/46/65/887604665.db2.gz HYNGRZIZTBBQRQ-FXAWDEMLSA-N 2 1 385.512 3.662 20 5 GHBDMP CC1CC[NH+](CCCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272534807 887661967 /nfs/dbraw/zinc/66/19/67/887661967.db2.gz NSIMEJUGCWXTJM-FQEVSTJZSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000763210376 888304233 /nfs/dbraw/zinc/30/42/33/888304233.db2.gz LOPQDRHPALJGLO-KRWDZBQOSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000763210376 888304253 /nfs/dbraw/zinc/30/42/53/888304253.db2.gz LOPQDRHPALJGLO-KRWDZBQOSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000876930939 893392578 /nfs/dbraw/zinc/39/25/78/893392578.db2.gz HNGYAHGLADCNEU-PBPGXSGUSA-N 2 1 383.496 3.659 20 5 GHBDMP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000823015941 898771225 /nfs/dbraw/zinc/77/12/25/898771225.db2.gz MLVIECYBKVQDOM-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000823015941 898771231 /nfs/dbraw/zinc/77/12/31/898771231.db2.gz MLVIECYBKVQDOM-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP CC[NH+](CC)C1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173017466 906093444 /nfs/dbraw/zinc/09/34/44/906093444.db2.gz DJRDMYIMEIHPIP-UHFFFAOYSA-N 2 1 396.482 3.648 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC001177294638 908499001 /nfs/dbraw/zinc/49/90/01/908499001.db2.gz NYCIBMFVQOPRFU-UHFFFAOYSA-N 2 1 396.535 3.639 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000749675150 927230493 /nfs/dbraw/zinc/23/04/93/927230493.db2.gz IRQPWJPODSOUAG-VGOFRKELSA-N 2 1 383.492 3.650 20 5 GHBDMP C[N@@H+]1CCc2c(N(CC[NH3+])c3cccc4ccccc43)ccc([N+](=O)[O-])c2C1 ZINC001162007517 1025535047 /nfs/dbraw/zinc/53/50/47/1025535047.db2.gz OVPHRWTUSUXUEU-UHFFFAOYSA-N 2 1 376.460 3.833 20 5 GHBDMP C[N@H+]1CCc2c(N(CC[NH3+])c3cccc4ccccc43)ccc([N+](=O)[O-])c2C1 ZINC001162007517 1025535060 /nfs/dbraw/zinc/53/50/60/1025535060.db2.gz OVPHRWTUSUXUEU-UHFFFAOYSA-N 2 1 376.460 3.833 20 5 GHBDMP O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C[NH2+]C2 ZINC001164492930 1026530302 /nfs/dbraw/zinc/53/03/02/1026530302.db2.gz PEFHPEKJYXWLQE-NSISKUIASA-N 2 1 378.476 3.521 20 5 GHBDMP O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C[NH2+]C2 ZINC001164492931 1026531086 /nfs/dbraw/zinc/53/10/86/1026531086.db2.gz PEFHPEKJYXWLQE-PWIZWCRZSA-N 2 1 378.476 3.521 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232302 1069454593 /nfs/dbraw/zinc/45/45/93/1069454593.db2.gz OGMCGTIYQIBDJD-KXBFYZLASA-N 2 1 375.494 3.838 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232302 1069454596 /nfs/dbraw/zinc/45/45/96/1069454596.db2.gz OGMCGTIYQIBDJD-KXBFYZLASA-N 2 1 375.494 3.838 20 5 GHBDMP CC(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001461432715 1069547071 /nfs/dbraw/zinc/54/70/71/1069547071.db2.gz RVGILWJEHRIAPD-FQEVSTJZSA-N 2 1 383.492 3.575 20 5 GHBDMP C[NH+](C)CCCC[C@H]([NH3+])c1nc(-c2ccc3ccc4cccnc4c3n2)no1 ZINC001248194521 1035624885 /nfs/dbraw/zinc/62/48/85/1035624885.db2.gz JKOGKQSIORZJFI-INIZCTEOSA-N 2 1 376.464 3.565 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@@]4(CCCC[NH2+]C4)C3)CC2)cc1 ZINC001246613897 1037505928 /nfs/dbraw/zinc/50/59/28/1037505928.db2.gz ZPFJXPGPMSIDBH-JOCHJYFZSA-N 2 1 386.540 3.809 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](CC2CCC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246969371 1037792464 /nfs/dbraw/zinc/79/24/64/1037792464.db2.gz KQOOFHPIPQZGET-KESTWPANSA-N 2 1 386.540 3.936 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308600272 1050027426 /nfs/dbraw/zinc/02/74/26/1050027426.db2.gz YVAOYMRUEFOSSU-MRXNPFEDSA-N 2 1 389.418 3.546 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308600272 1050027431 /nfs/dbraw/zinc/02/74/31/1050027431.db2.gz YVAOYMRUEFOSSU-MRXNPFEDSA-N 2 1 389.418 3.546 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849350536 1067817322 /nfs/dbraw/zinc/81/73/22/1067817322.db2.gz PMMIAJMRRIURKG-AWEZNQCLSA-N 2 1 382.302 3.569 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001473598171 1074039241 /nfs/dbraw/zinc/03/92/41/1074039241.db2.gz NGTQRXUSDQHAGO-KDURUIRLSA-N 2 1 397.519 3.879 20 5 GHBDMP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001473598171 1074039248 /nfs/dbraw/zinc/03/92/48/1074039248.db2.gz NGTQRXUSDQHAGO-KDURUIRLSA-N 2 1 397.519 3.879 20 5 GHBDMP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CCc3ccc([N+](=O)[O-])cc3)cc2)C[C@H](C)O1 ZINC001473598171 1074039257 /nfs/dbraw/zinc/03/92/57/1074039257.db2.gz NGTQRXUSDQHAGO-KDURUIRLSA-N 2 1 397.519 3.879 20 5 GHBDMP CN(c1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000179316009 835521318 /nfs/dbraw/zinc/52/13/18/835521318.db2.gz GUSGIBARYURGSQ-UHFFFAOYSA-N 2 1 382.508 3.757 20 5 GHBDMP CN(c1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000179316009 835521320 /nfs/dbraw/zinc/52/13/20/835521320.db2.gz GUSGIBARYURGSQ-UHFFFAOYSA-N 2 1 382.508 3.757 20 5 GHBDMP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376389338 836915067 /nfs/dbraw/zinc/91/50/67/836915067.db2.gz VZXJTDXHQLOOPM-OAHLLOKOSA-N 2 1 385.468 3.514 20 5 GHBDMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415051608 839122395 /nfs/dbraw/zinc/12/23/95/839122395.db2.gz GLAVQTBGAPMBGH-FQEVSTJZSA-N 2 1 387.480 3.645 20 5 GHBDMP Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302171982 861230673 /nfs/dbraw/zinc/23/06/73/861230673.db2.gz MFFDWDAAKFBJCM-CALCHBBNSA-N 2 1 398.507 3.777 20 5 GHBDMP [NH3+]C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000435399087 850482758 /nfs/dbraw/zinc/48/27/58/850482758.db2.gz VDDLMMXYKBAYGP-UHFFFAOYSA-N 2 1 380.242 3.540 20 5 GHBDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000426814595 852426007 /nfs/dbraw/zinc/42/60/07/852426007.db2.gz HNIWMHCJWZGIHL-IYBDPMFKSA-N 2 1 395.931 3.960 20 5 GHBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000426814595 852426013 /nfs/dbraw/zinc/42/60/13/852426013.db2.gz HNIWMHCJWZGIHL-IYBDPMFKSA-N 2 1 395.931 3.960 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126700834 853242040 /nfs/dbraw/zinc/24/20/40/853242040.db2.gz BEZNHTLGGXIMED-SFHVURJKSA-N 2 1 382.508 3.501 20 5 GHBDMP CC[C@@H]1C[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000592427771 856867537 /nfs/dbraw/zinc/86/75/37/856867537.db2.gz ZQOBBUZHVDMWFK-UYAOXDASSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@@H]1C[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000592427771 856867545 /nfs/dbraw/zinc/86/75/45/856867545.db2.gz ZQOBBUZHVDMWFK-UYAOXDASSA-N 2 1 399.491 3.742 20 5 GHBDMP CC1([NH3+])CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000592431647 857436736 /nfs/dbraw/zinc/43/67/36/857436736.db2.gz VFAPZIPXNNXGBJ-UHFFFAOYSA-N 2 1 391.475 3.761 20 5 GHBDMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)c1 ZINC000602594194 860135111 /nfs/dbraw/zinc/13/51/11/860135111.db2.gz UIXYOTKFRAGXDD-UHFFFAOYSA-N 2 1 384.299 3.770 20 5 GHBDMP C[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000509022724 860578252 /nfs/dbraw/zinc/57/82/52/860578252.db2.gz NDEAUVXPBRVXNW-UHFFFAOYSA-N 2 1 376.407 3.616 20 5 GHBDMP C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000509022724 860578256 /nfs/dbraw/zinc/57/82/56/860578256.db2.gz NDEAUVXPBRVXNW-UHFFFAOYSA-N 2 1 376.407 3.616 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183678573 867199425 /nfs/dbraw/zinc/19/94/25/867199425.db2.gz RISITATZQOXWLN-OAHLLOKOSA-N 2 1 393.447 3.768 20 5 GHBDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000538751831 870572418 /nfs/dbraw/zinc/57/24/18/870572418.db2.gz QUVIZVQRNCPXFP-KRWDZBQOSA-N 2 1 387.480 3.788 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000531932335 880783777 /nfs/dbraw/zinc/78/37/77/880783777.db2.gz MPXUGVNQSVYVKB-VQIMIIECSA-N 2 1 388.537 3.604 20 5 GHBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC12CCOCC2 ZINC000570682729 899504561 /nfs/dbraw/zinc/50/45/61/899504561.db2.gz NJEKTCGUMPOKTP-OAHLLOKOSA-N 2 1 387.505 3.511 20 5 GHBDMP C[C@@H]1CN(c2cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001165202896 1026664921 /nfs/dbraw/zinc/66/49/21/1026664921.db2.gz QDWNOSZEYJCJBD-LSSLULSBSA-N 2 1 395.507 3.621 20 5 GHBDMP C[C@@H]1CN(c2cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001165202896 1026664926 /nfs/dbraw/zinc/66/49/26/1026664926.db2.gz QDWNOSZEYJCJBD-LSSLULSBSA-N 2 1 395.507 3.621 20 5 GHBDMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001232223174 1035171458 /nfs/dbraw/zinc/17/14/58/1035171458.db2.gz LDZUFJCHVJGAKD-UHFFFAOYSA-N 2 1 391.563 3.633 20 5 GHBDMP CCn1ccc(C[N@@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC001462097703 1069993210 /nfs/dbraw/zinc/99/32/10/1069993210.db2.gz QRSKYJMDXZIMEZ-UHFFFAOYSA-N 2 1 384.524 3.803 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246685372 1037547577 /nfs/dbraw/zinc/54/75/77/1037547577.db2.gz OMNDWOYTJFPZBI-LXBDKUERSA-N 2 1 395.503 3.614 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1)C2 ZINC001246934865 1037737777 /nfs/dbraw/zinc/73/77/77/1037737777.db2.gz CIYULJZSFWXHEY-QFIPXVFZSA-N 2 1 383.467 3.703 20 5 GHBDMP CCC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001253103844 1039426372 /nfs/dbraw/zinc/42/63/72/1039426372.db2.gz MNVHCXHEMVCPOD-QHCPKHFHSA-N 2 1 396.535 3.973 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001460671140 1069075183 /nfs/dbraw/zinc/07/51/83/1069075183.db2.gz MFZQVDZWFZSDRO-UHFFFAOYSA-N 2 1 390.528 3.532 20 5 GHBDMP COc1c(O)ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC001474373576 1074370161 /nfs/dbraw/zinc/37/01/61/1074370161.db2.gz AZASEMSCINAVJH-INIZCTEOSA-N 2 1 391.512 3.786 20 5 GHBDMP COc1c(O)ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC001474373576 1074370168 /nfs/dbraw/zinc/37/01/68/1074370168.db2.gz AZASEMSCINAVJH-INIZCTEOSA-N 2 1 391.512 3.786 20 5 GHBDMP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118834290 837889702 /nfs/dbraw/zinc/88/97/02/837889702.db2.gz DHAHMTMNNRPVRJ-SFHVURJKSA-N 2 1 388.512 3.511 20 5 GHBDMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000118834290 837889718 /nfs/dbraw/zinc/88/97/18/837889718.db2.gz DHAHMTMNNRPVRJ-SFHVURJKSA-N 2 1 388.512 3.511 20 5 GHBDMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000415125849 839235200 /nfs/dbraw/zinc/23/52/00/839235200.db2.gz LLJQAVDODLNDDB-VQIMIIECSA-N 2 1 399.491 3.599 20 5 GHBDMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435391156 850459010 /nfs/dbraw/zinc/45/90/10/850459010.db2.gz VMVQUIWOZWFRDL-QGZVFWFLSA-N 2 1 391.475 3.618 20 5 GHBDMP CCC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068525 858370953 /nfs/dbraw/zinc/37/09/53/858370953.db2.gz IKQGWYFAAARDJG-VXKWHMMOSA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595908656 858715104 /nfs/dbraw/zinc/71/51/04/858715104.db2.gz OLFYAKNRTWENTQ-HNNXBMFYSA-N 2 1 383.496 3.726 20 5 GHBDMP CN(c1ccccc1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000555340359 865931629 /nfs/dbraw/zinc/93/16/29/865931629.db2.gz YHQMTOKSIBVTGQ-UHFFFAOYSA-N 2 1 396.535 3.800 20 5 GHBDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021993 871124815 /nfs/dbraw/zinc/12/48/15/871124815.db2.gz MBBJRYCPHMFYMG-WUOIFLIFSA-N 2 1 377.554 3.726 20 5 GHBDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021993 871124825 /nfs/dbraw/zinc/12/48/25/871124825.db2.gz MBBJRYCPHMFYMG-WUOIFLIFSA-N 2 1 377.554 3.726 20 5 GHBDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]21 ZINC001169021993 871124834 /nfs/dbraw/zinc/12/48/34/871124834.db2.gz MBBJRYCPHMFYMG-WUOIFLIFSA-N 2 1 377.554 3.726 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000540988365 872683086 /nfs/dbraw/zinc/68/30/86/872683086.db2.gz KILNUELEASIVDD-LAUBAEHRSA-N 2 1 383.492 3.711 20 5 GHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768106093 873083939 /nfs/dbraw/zinc/08/39/39/873083939.db2.gz RHVUEKSKTMZSLJ-FUHWJXTLSA-N 2 1 393.553 3.699 20 5 GHBDMP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768106095 873084335 /nfs/dbraw/zinc/08/43/35/873084335.db2.gz RHVUEKSKTMZSLJ-WMZOPIPTSA-N 2 1 393.553 3.699 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120777 878829358 /nfs/dbraw/zinc/82/93/58/878829358.db2.gz QFWMMWYUEFYWSA-IFMALSPDSA-N 2 1 395.503 3.520 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170296678 881316884 /nfs/dbraw/zinc/31/68/84/881316884.db2.gz HMWATFKTFJGKCH-PKOBYXMFSA-N 2 1 383.492 3.646 20 5 GHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495439877 885808469 /nfs/dbraw/zinc/80/84/69/885808469.db2.gz OHEBYJSILKLTFX-QAPCUYQASA-N 2 1 383.920 3.517 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000556873149 886436153 /nfs/dbraw/zinc/43/61/53/886436153.db2.gz UVJPAFMVPDOYIE-HXUWFJFHSA-N 2 1 385.512 3.664 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)CCC2 ZINC000249001388 889071680 /nfs/dbraw/zinc/07/16/80/889071680.db2.gz QSGHIUQZSJKTJB-JTHBVZDNSA-N 2 1 395.503 3.719 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154459652 892317902 /nfs/dbraw/zinc/31/79/02/892317902.db2.gz OZYOKDRJIIUIFJ-UWJYYQICSA-N 2 1 375.513 3.605 20 5 GHBDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC12CCOCC2 ZINC000563135595 893397728 /nfs/dbraw/zinc/39/77/28/893397728.db2.gz RJWJJZVCJMVWRA-MRXNPFEDSA-N 2 1 387.505 3.511 20 5 GHBDMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564848226 895279861 /nfs/dbraw/zinc/27/98/61/895279861.db2.gz DQAYKNYQIHCHGZ-HKUYNNGSSA-N 2 1 396.491 3.566 20 5 GHBDMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000564848226 895279872 /nfs/dbraw/zinc/27/98/72/895279872.db2.gz DQAYKNYQIHCHGZ-HKUYNNGSSA-N 2 1 396.491 3.566 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959777 896296430 /nfs/dbraw/zinc/29/64/30/896296430.db2.gz SUDHSEYIDDNHIP-JTSKRJEESA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818959776 896296971 /nfs/dbraw/zinc/29/69/71/896296971.db2.gz SUDHSEYIDDNHIP-HTAPYJJXSA-N 2 1 383.492 3.792 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172900672 905921442 /nfs/dbraw/zinc/92/14/42/905921442.db2.gz XTPNPUDRMZNOBM-SIKLNZKXSA-N 2 1 379.504 3.954 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000182228687 907164036 /nfs/dbraw/zinc/16/40/36/907164036.db2.gz PVKAOLXDCZFAAU-LAUBAEHRSA-N 2 1 383.492 3.711 20 5 GHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000559935036 932971057 /nfs/dbraw/zinc/97/10/57/932971057.db2.gz LPFRQPAMKWVHGP-UHFFFAOYSA-N 2 1 383.492 3.818 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126273 1029817115 /nfs/dbraw/zinc/81/71/15/1029817115.db2.gz HLQIPQPQHMQLTE-ZIAGYGMSSA-N 2 1 382.302 3.569 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936759 1037741412 /nfs/dbraw/zinc/74/14/12/1037741412.db2.gz JNIKNDPZRPLXAV-SJORKVTESA-N 2 1 375.513 3.779 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563404 1040336027 /nfs/dbraw/zinc/33/60/27/1040336027.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563404 1040336047 /nfs/dbraw/zinc/33/60/47/1040336047.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563404 1040336064 /nfs/dbraw/zinc/33/60/64/1040336064.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@@H](C)Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)cc1 ZINC001254563404 1040336080 /nfs/dbraw/zinc/33/60/80/1040336080.db2.gz ZWJPSXGFMQNRNC-YUXAGFNASA-N 2 1 379.504 3.898 20 5 GHBDMP COc1ccccc1C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254586960 1040361087 /nfs/dbraw/zinc/36/10/87/1040361087.db2.gz NNZVGNDERGIKMS-KCZVDYSFSA-N 2 1 395.503 3.843 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+]3C3CCCCCC3)CC2)cc1 ZINC001462521050 1070324622 /nfs/dbraw/zinc/32/46/22/1070324622.db2.gz XDFXWOXXQRRXTJ-JOCHJYFZSA-N 2 1 386.540 3.950 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[N@H+]3C3CCCCCC3)CC2)cc1 ZINC001462521050 1070324639 /nfs/dbraw/zinc/32/46/39/1070324639.db2.gz XDFXWOXXQRRXTJ-JOCHJYFZSA-N 2 1 386.540 3.950 20 5 GHBDMP COc1cc(N2CCC([N@@H+](CCC[NH3+])C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC001256084457 1041514927 /nfs/dbraw/zinc/51/49/27/1041514927.db2.gz DIYHNSZDEVIYTE-UHFFFAOYSA-N 2 1 390.528 3.556 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001322643749 1056783053 /nfs/dbraw/zinc/78/30/53/1056783053.db2.gz TXDVACFXQPWBAP-GOSISDBHSA-N 2 1 382.508 3.501 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979157 /nfs/dbraw/zinc/97/91/57/1073979157.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979159 /nfs/dbraw/zinc/97/91/59/1073979159.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC001473466611 1073979163 /nfs/dbraw/zinc/97/91/63/1073979163.db2.gz JMWKVSORJDXHQK-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP CCOc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1[N+](=O)[O-] ZINC000154150518 835221640 /nfs/dbraw/zinc/22/16/40/835221640.db2.gz SEHHKRPBOMAKIN-HNNXBMFYSA-N 2 1 399.495 3.720 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000584291283 835849234 /nfs/dbraw/zinc/84/92/34/835849234.db2.gz JBWMDGGYURHKNM-HOTGVXAUSA-N 2 1 385.464 3.685 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599661269 861491836 /nfs/dbraw/zinc/49/18/36/861491836.db2.gz RRILWNIILQNSFL-MRXNPFEDSA-N 2 1 384.480 3.506 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599661269 861491849 /nfs/dbraw/zinc/49/18/49/861491849.db2.gz RRILWNIILQNSFL-MRXNPFEDSA-N 2 1 384.480 3.506 20 5 GHBDMP O=[N+]([O-])c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c2c(c1)COCO2 ZINC000045806437 856029409 /nfs/dbraw/zinc/02/94/09/856029409.db2.gz ARANCCSRIHEISF-UHFFFAOYSA-N 2 1 389.496 3.549 20 5 GHBDMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000442921897 858245254 /nfs/dbraw/zinc/24/52/54/858245254.db2.gz NUYZDTOIMPKOBU-KRWDZBQOSA-N 2 1 399.491 3.743 20 5 GHBDMP CC(C)c1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1[N+](=O)[O-] ZINC000594973532 858336236 /nfs/dbraw/zinc/33/62/36/858336236.db2.gz FDORDHLQCFCIOF-FQEVSTJZSA-N 2 1 383.492 3.575 20 5 GHBDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000116276303 858921724 /nfs/dbraw/zinc/92/17/24/858921724.db2.gz ZKBQEQMWDUENNL-HUUCEWRRSA-N 2 1 381.904 3.569 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000183154051 866284123 /nfs/dbraw/zinc/28/41/23/866284123.db2.gz PZBYYQOEVRWPED-CABCVRRESA-N 2 1 393.447 3.767 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000538751832 870572141 /nfs/dbraw/zinc/57/21/41/870572141.db2.gz QUVIZVQRNCPXFP-QGZVFWFLSA-N 2 1 387.480 3.788 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797457 870626929 /nfs/dbraw/zinc/62/69/29/870626929.db2.gz ITPIEJBNJWEOPC-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797457 870626937 /nfs/dbraw/zinc/62/69/37/870626937.db2.gz ITPIEJBNJWEOPC-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797457 870626942 /nfs/dbraw/zinc/62/69/42/870626942.db2.gz ITPIEJBNJWEOPC-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797457 870626948 /nfs/dbraw/zinc/62/69/48/870626948.db2.gz ITPIEJBNJWEOPC-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000619722880 872922449 /nfs/dbraw/zinc/92/24/49/872922449.db2.gz PJYKJIDDJIQRFM-KRWDZBQOSA-N 2 1 384.480 3.776 20 5 GHBDMP CC(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC001201626840 875801668 /nfs/dbraw/zinc/80/16/68/875801668.db2.gz QEPCOERMNUZHNW-NRFANRHFSA-N 2 1 397.519 3.965 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000776275681 876141726 /nfs/dbraw/zinc/14/17/26/876141726.db2.gz GUMRKYQUYHTNJI-IXFSTUDKSA-N 2 1 397.519 3.896 20 5 GHBDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804537831 883028345 /nfs/dbraw/zinc/02/83/45/883028345.db2.gz HLWVCMYPLBDTPR-UHFFFAOYSA-N 2 1 394.947 3.881 20 5 GHBDMP O=[N+]([O-])c1ccc(CNCCC[NH+]2CCN(c3ccccc3)CC2)cc1Cl ZINC000761523835 879215177 /nfs/dbraw/zinc/21/51/77/879215177.db2.gz YJWLJBZFJXLNJR-UHFFFAOYSA-N 2 1 388.899 3.550 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001170290344 881337506 /nfs/dbraw/zinc/33/75/06/881337506.db2.gz AEFYLDAFMXVRQY-QGZVFWFLSA-N 2 1 383.492 3.789 20 5 GHBDMP COc1cc(CNC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000564498410 895037620 /nfs/dbraw/zinc/03/76/20/895037620.db2.gz SBGTZIOYQSHGPU-GOSISDBHSA-N 2 1 399.491 3.701 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960109 896266812 /nfs/dbraw/zinc/26/68/12/896266812.db2.gz XNFBMIZDEUTVIJ-JTSKRJEESA-N 2 1 383.492 3.650 20 5 GHBDMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648608 898006481 /nfs/dbraw/zinc/00/64/81/898006481.db2.gz CUFQSDIYOMCJKS-NWDGAFQWSA-N 2 1 394.269 3.929 20 5 GHBDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648608 898006490 /nfs/dbraw/zinc/00/64/90/898006490.db2.gz CUFQSDIYOMCJKS-NWDGAFQWSA-N 2 1 394.269 3.929 20 5 GHBDMP [NH3+]C1(c2ccccc2F)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906496 905934370 /nfs/dbraw/zinc/93/43/70/905934370.db2.gz XKGZESXDNSFSNG-SFHVURJKSA-N 2 1 383.467 3.931 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](C2CCOCC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172906803 905934444 /nfs/dbraw/zinc/93/44/44/905934444.db2.gz OWTNTVUWGCPNIG-UFYCRDLUSA-N 2 1 387.524 3.593 20 5 GHBDMP Cc1cc(N(C2CC[NH2+]CC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc(C)[nH+]1 ZINC001172913948 905985056 /nfs/dbraw/zinc/98/50/56/905985056.db2.gz WJYWYLYIKPXVQN-IBGZPJMESA-N 2 1 395.507 3.508 20 5 GHBDMP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223665 906305598 /nfs/dbraw/zinc/30/55/98/906305598.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223665 906305615 /nfs/dbraw/zinc/30/56/15/906305615.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]([C@H](C)Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)cc1 ZINC001173223665 906305625 /nfs/dbraw/zinc/30/56/25/906305625.db2.gz GMCAQLPFJNDCBE-QIJUGHKUSA-N 2 1 379.504 3.898 20 5 GHBDMP CCC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198004 919385643 /nfs/dbraw/zinc/38/56/43/919385643.db2.gz CYPRVIOZFHCVOL-UHFFFAOYSA-N 2 1 389.525 3.944 20 5 GHBDMP CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198004 919385669 /nfs/dbraw/zinc/38/56/69/919385669.db2.gz CYPRVIOZFHCVOL-UHFFFAOYSA-N 2 1 389.525 3.944 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1Cc3ccccc3C3(CC[NH2+]CC3)C1)CC2 ZINC001246861260 1037679662 /nfs/dbraw/zinc/67/96/62/1037679662.db2.gz OMNSIWDFMLXDOV-NRFANRHFSA-N 2 1 391.515 3.979 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936767 1037742852 /nfs/dbraw/zinc/74/28/52/1037742852.db2.gz JOUQOLLBFMWSAW-CVEARBPZSA-N 2 1 393.503 3.918 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]2C1 ZINC001355372346 1057136046 /nfs/dbraw/zinc/13/60/46/1057136046.db2.gz BBLJRIAJQGPFQH-SOLBZPMBSA-N 2 1 386.521 3.880 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC001325856168 1057374491 /nfs/dbraw/zinc/37/44/91/1057374491.db2.gz XWLLVFUEISFVKU-MWWJCJHHSA-N 2 1 395.503 3.804 20 5 GHBDMP C[C@@]12CSC[C@@H]1C[N@@H+](CC1CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC001474741726 1074542185 /nfs/dbraw/zinc/54/21/85/1074542185.db2.gz WUCQLPHETWHSBA-PZJWPPBQSA-N 2 1 389.565 3.534 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532986 834587078 /nfs/dbraw/zinc/58/70/78/834587078.db2.gz ZOEYVWBRSZKRPP-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532986 834587084 /nfs/dbraw/zinc/58/70/84/834587084.db2.gz ZOEYVWBRSZKRPP-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532986 834587089 /nfs/dbraw/zinc/58/70/89/834587089.db2.gz ZOEYVWBRSZKRPP-BEFAXECRSA-N 2 1 385.464 3.780 20 5 GHBDMP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000610372537 838759897 /nfs/dbraw/zinc/75/98/97/838759897.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 2 1 383.492 3.818 20 5 GHBDMP C[NH+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000610372537 838759904 /nfs/dbraw/zinc/75/99/04/838759904.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 2 1 383.492 3.818 20 5 GHBDMP C[NH+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000610372537 838759912 /nfs/dbraw/zinc/75/99/12/838759912.db2.gz ZTNKAPCXJSIIFO-FQEVSTJZSA-N 2 1 383.492 3.818 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000580311729 839229022 /nfs/dbraw/zinc/22/90/22/839229022.db2.gz OZSQZUAVOVBSJK-LPHOPBHVSA-N 2 1 399.491 3.742 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCCC2 ZINC000417328570 840714961 /nfs/dbraw/zinc/71/49/61/840714961.db2.gz GTCUMZPPJISELG-GMAHTHKFSA-N 2 1 395.503 3.719 20 5 GHBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433053767 845097185 /nfs/dbraw/zinc/09/71/85/845097185.db2.gz RRZOCKDUYRBQBZ-UHFFFAOYSA-N 2 1 395.503 3.962 20 5 GHBDMP COc1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])cc1O ZINC000513499027 845553269 /nfs/dbraw/zinc/55/32/69/845553269.db2.gz DBGCYYNCUSBPIM-SJLPKXTDSA-N 2 1 399.491 3.699 20 5 GHBDMP COc1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000513500101 845553730 /nfs/dbraw/zinc/55/37/30/845553730.db2.gz KOHOHUPCSFOWPY-XLIONFOSSA-N 2 1 383.492 3.994 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000153481321 854957907 /nfs/dbraw/zinc/95/79/07/854957907.db2.gz GGXNMMFKSAORBF-SJLPKXTDSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000153481321 854957912 /nfs/dbraw/zinc/95/79/12/854957912.db2.gz GGXNMMFKSAORBF-SJLPKXTDSA-N 2 1 383.492 3.975 20 5 GHBDMP COc1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611143 856314633 /nfs/dbraw/zinc/31/46/33/856314633.db2.gz WNPQTEALCPAPBS-VQTJNVASSA-N 2 1 381.476 3.557 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000134161536 862868480 /nfs/dbraw/zinc/86/84/80/862868480.db2.gz OUSXRMZNYBQPHZ-UHFFFAOYSA-N 2 1 379.501 3.556 20 5 GHBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403190 857379293 /nfs/dbraw/zinc/37/92/93/857379293.db2.gz NFWBDFWFPFYYOF-AHRSYUTCSA-N 2 1 383.492 3.990 20 5 GHBDMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000592403190 857379307 /nfs/dbraw/zinc/37/93/07/857379307.db2.gz NFWBDFWFPFYYOF-AHRSYUTCSA-N 2 1 383.492 3.990 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000594493345 858191095 /nfs/dbraw/zinc/19/10/95/858191095.db2.gz CWGIFEHESYXXTD-JOCHJYFZSA-N 2 1 394.519 3.509 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000593314670 859380182 /nfs/dbraw/zinc/38/01/82/859380182.db2.gz DZSUCKQAYAFVIL-CSODHUTKSA-N 2 1 385.464 3.573 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138818 866266872 /nfs/dbraw/zinc/26/68/72/866266872.db2.gz IMKNYXCBLYZSTE-LSDHHAIUSA-N 2 1 393.447 3.767 20 5 GHBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000447562526 871868382 /nfs/dbraw/zinc/86/83/82/871868382.db2.gz LSRDMOHHQBOVOU-RTWAWAEBSA-N 2 1 397.523 3.572 20 5 GHBDMP C[NH+](C)CCCC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769497601 874104441 /nfs/dbraw/zinc/10/44/41/874104441.db2.gz GNMXCUNZDMQNDT-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000449126302 874510831 /nfs/dbraw/zinc/51/08/31/874510831.db2.gz SYBZBKUXMSZLDI-OAHLLOKOSA-N 2 1 386.496 3.632 20 5 GHBDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000248872526 912505520 /nfs/dbraw/zinc/50/55/20/912505520.db2.gz IGIDIJQEQVPYSV-CZAAIQMYSA-N 2 1 375.513 3.699 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)oc1C ZINC000872036890 891129232 /nfs/dbraw/zinc/12/92/32/891129232.db2.gz WGGVEDUNPHELLA-CQSZACIVSA-N 2 1 390.459 3.902 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3c(F)cccc3[N+](=O)[O-])CC2)oc1C ZINC000872036889 891129282 /nfs/dbraw/zinc/12/92/82/891129282.db2.gz WGGVEDUNPHELLA-AWEZNQCLSA-N 2 1 390.459 3.902 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684384 /nfs/dbraw/zinc/68/43/84/895684384.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684390 /nfs/dbraw/zinc/68/43/90/895684390.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684395 /nfs/dbraw/zinc/68/43/95/895684395.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507032 895684400 /nfs/dbraw/zinc/68/44/00/895684400.db2.gz CGZZALGBCOIZAD-QGZVFWFLSA-N 2 1 389.521 3.797 20 5 GHBDMP CCC[NH+](CCC)CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173006674 906080668 /nfs/dbraw/zinc/08/06/68/906080668.db2.gz ZSMYFLJHTHTBQV-UHFFFAOYSA-N 2 1 384.471 3.553 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678438 927231310 /nfs/dbraw/zinc/23/13/10/927231310.db2.gz SAAKJXCASKGTBY-VGOFRKELSA-N 2 1 383.492 3.792 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000780768654 930594528 /nfs/dbraw/zinc/59/45/28/930594528.db2.gz SUUZYVMUDUTNCD-GRERDSQWSA-N 2 1 397.523 3.804 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000780769162 930594790 /nfs/dbraw/zinc/59/47/90/930594790.db2.gz YYMAPZKOYFKQSE-GRERDSQWSA-N 2 1 397.523 3.804 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000468747173 1015987104 /nfs/dbraw/zinc/98/71/04/1015987104.db2.gz JRWPGCODRLKMTJ-PTNGSMBKSA-N 2 1 381.480 3.664 20 5 GHBDMP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC001207459580 1034380278 /nfs/dbraw/zinc/38/02/78/1034380278.db2.gz LHTOUZFOEHBSKK-UHFFFAOYSA-N 2 1 397.523 3.919 20 5 GHBDMP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC001207459580 1034380298 /nfs/dbraw/zinc/38/02/98/1034380298.db2.gz LHTOUZFOEHBSKK-UHFFFAOYSA-N 2 1 397.523 3.919 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001246682874 1037544866 /nfs/dbraw/zinc/54/48/66/1037544866.db2.gz OMNDWOYTJFPZBI-ODOSVJCGSA-N 2 1 395.503 3.614 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCCC2)c1F ZINC001246936768 1037742013 /nfs/dbraw/zinc/74/20/13/1037742013.db2.gz JOUQOLLBFMWSAW-HOTGVXAUSA-N 2 1 393.503 3.918 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588502 1040362482 /nfs/dbraw/zinc/36/24/82/1040362482.db2.gz ZVSGXQAJOSJFSI-UNMCSNQZSA-N 2 1 379.504 3.952 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588502 1040362495 /nfs/dbraw/zinc/36/24/95/1040362495.db2.gz ZVSGXQAJOSJFSI-UNMCSNQZSA-N 2 1 379.504 3.952 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588497 1040362908 /nfs/dbraw/zinc/36/29/08/1040362908.db2.gz ZVSGXQAJOSJFSI-IRLDBZIGSA-N 2 1 379.504 3.952 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588497 1040362923 /nfs/dbraw/zinc/36/29/23/1040362923.db2.gz ZVSGXQAJOSJFSI-IRLDBZIGSA-N 2 1 379.504 3.952 20 5 GHBDMP COc1c(O)ccc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC001474373577 1074369915 /nfs/dbraw/zinc/36/99/15/1074369915.db2.gz AZASEMSCINAVJH-MRXNPFEDSA-N 2 1 391.512 3.786 20 5 GHBDMP COc1c(O)ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC001474373577 1074369920 /nfs/dbraw/zinc/36/99/20/1074369920.db2.gz AZASEMSCINAVJH-MRXNPFEDSA-N 2 1 391.512 3.786 20 5 GHBDMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000573439239 844539678 /nfs/dbraw/zinc/53/96/78/844539678.db2.gz ZNDWKDFDQJKYNG-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000573439239 844539683 /nfs/dbraw/zinc/53/96/83/844539683.db2.gz ZNDWKDFDQJKYNG-UHFFFAOYSA-N 2 1 384.318 3.910 20 5 GHBDMP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000047971891 842073330 /nfs/dbraw/zinc/07/33/30/842073330.db2.gz LKIMREQPCHBCOJ-UHFFFAOYSA-N 2 1 399.438 3.513 20 5 GHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875553 861306652 /nfs/dbraw/zinc/30/66/52/861306652.db2.gz HGGZZQJWORFHBE-QGZVFWFLSA-N 2 1 388.512 3.510 20 5 GHBDMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240212 843889879 /nfs/dbraw/zinc/88/98/79/843889879.db2.gz NMDQVTAZIBGSFY-UGKGYDQZSA-N 2 1 395.503 3.674 20 5 GHBDMP Cc1cc(N2CCC([NH2+][C@@H]3CC(C)(C)c4ccc([N+](=O)[O-])cc43)CC2)nc(C)[nH+]1 ZINC000433283305 843955787 /nfs/dbraw/zinc/95/57/87/843955787.db2.gz IEHNMHUFLBFFEM-HXUWFJFHSA-N 2 1 395.507 3.983 20 5 GHBDMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153642 845523944 /nfs/dbraw/zinc/52/39/44/845523944.db2.gz XABONCBNDRDPFH-QFIPXVFZSA-N 2 1 395.503 3.939 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)o2)c([N+](=O)[O-])c1 ZINC000424379772 850418113 /nfs/dbraw/zinc/41/81/13/850418113.db2.gz PBSKCIZQGMJMRU-HNNXBMFYSA-N 2 1 385.464 3.827 20 5 GHBDMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435391153 850459324 /nfs/dbraw/zinc/45/93/24/850459324.db2.gz VMVQUIWOZWFRDL-KRWDZBQOSA-N 2 1 391.475 3.618 20 5 GHBDMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487168683 850525902 /nfs/dbraw/zinc/52/59/02/850525902.db2.gz AKIRHFBBYBSJPR-UHFFFAOYSA-N 2 1 391.353 3.793 20 5 GHBDMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000482146625 862763056 /nfs/dbraw/zinc/76/30/56/862763056.db2.gz VPYWZUCRZPYREX-WMLDXEAASA-N 2 1 396.919 3.677 20 5 GHBDMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000248446049 856460673 /nfs/dbraw/zinc/46/06/73/856460673.db2.gz MWPZELLFOPTYFS-FCHUYYIVSA-N 2 1 383.492 3.792 20 5 GHBDMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427684 857403382 /nfs/dbraw/zinc/40/33/82/857403382.db2.gz PVVWXYAEQXLWNC-VQIMIIECSA-N 2 1 399.491 3.742 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000114197086 857935480 /nfs/dbraw/zinc/93/54/80/857935480.db2.gz ZRBHFIDDKDCPTC-UHFFFAOYSA-N 2 1 390.528 3.676 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000594489925 858189645 /nfs/dbraw/zinc/18/96/45/858189645.db2.gz HUPRYBACTCZTAK-JKSBSHDWSA-N 2 1 395.503 3.981 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccccn2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170326070 881362862 /nfs/dbraw/zinc/36/28/62/881362862.db2.gz CZGJYVFYIHFEMT-YVWKXTFCSA-N 2 1 398.507 3.702 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000593314720 859380620 /nfs/dbraw/zinc/38/06/20/859380620.db2.gz GKWHSECLDRJTPJ-WHSLLNHNSA-N 2 1 385.464 3.573 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000593316833 859394534 /nfs/dbraw/zinc/39/45/34/859394534.db2.gz YSKKCUQHZRSWDZ-FVJLSDCUSA-N 2 1 385.464 3.573 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@H]2C[C@@H]2CCC[NH+]2C)c([N+](=O)[O-])c1 ZINC001170351722 881497578 /nfs/dbraw/zinc/49/75/78/881497578.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC001170351722 881497666 /nfs/dbraw/zinc/49/76/66/881497666.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 2 1 375.513 3.873 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2CCCC[C@H]2C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC001170351722 881497755 /nfs/dbraw/zinc/49/77/55/881497755.db2.gz HETDSXLYDGQXPF-WDSOQIARSA-N 2 1 375.513 3.873 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000602532192 860100029 /nfs/dbraw/zinc/10/00/29/860100029.db2.gz DUMFXZNNDVBKKK-UHFFFAOYSA-N 2 1 397.523 3.589 20 5 GHBDMP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110688 860496075 /nfs/dbraw/zinc/49/60/75/860496075.db2.gz OZLVTTIWNDWSMF-INIZCTEOSA-N 2 1 387.484 3.904 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898047 869987156 /nfs/dbraw/zinc/98/71/56/869987156.db2.gz JEKOLHAHMRSVCC-SLYNCCJLSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898047 869987164 /nfs/dbraw/zinc/98/71/64/869987164.db2.gz JEKOLHAHMRSVCC-SLYNCCJLSA-N 2 1 385.464 3.538 20 5 GHBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3cccc(C(F)(F)F)c3)CC2)C1 ZINC001169054861 871135574 /nfs/dbraw/zinc/13/55/74/871135574.db2.gz NWCHZMPBOLFTIH-YJBOKZPZSA-N 2 1 385.430 3.705 20 5 GHBDMP COc1ccc(-c2ccc(C[NH2+]C3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)o2)c([N+](=O)[O-])c1 ZINC000525695411 871254077 /nfs/dbraw/zinc/25/40/77/871254077.db2.gz ZZPKHPIKWINYGJ-MQVJKMGUSA-N 2 1 385.464 3.968 20 5 GHBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000766974785 872132095 /nfs/dbraw/zinc/13/20/95/872132095.db2.gz QBVPUBONCAWJHI-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000766974785 872132101 /nfs/dbraw/zinc/13/21/01/872132101.db2.gz QBVPUBONCAWJHI-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768303351 873221060 /nfs/dbraw/zinc/22/10/60/873221060.db2.gz MGGXPZVZCQYGNB-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137234 874277762 /nfs/dbraw/zinc/27/77/62/874277762.db2.gz YRVBCSFCVODTOY-LJQANCHMSA-N 2 1 375.513 3.952 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000609137234 874277765 /nfs/dbraw/zinc/27/77/65/874277765.db2.gz YRVBCSFCVODTOY-LJQANCHMSA-N 2 1 375.513 3.952 20 5 GHBDMP C[NH+]1CCC(CNc2nccc3c2cccc3[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000450357904 876324743 /nfs/dbraw/zinc/32/47/43/876324743.db2.gz ORCZNTUTBNHLKE-UHFFFAOYSA-N 2 1 383.496 3.505 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000237609665 877705718 /nfs/dbraw/zinc/70/57/18/877705718.db2.gz QLSUAGQBJYPEKO-CALCHBBNSA-N 2 1 387.480 3.834 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172900670 905922052 /nfs/dbraw/zinc/92/20/52/905922052.db2.gz XTPNPUDRMZNOBM-DENIHFKCSA-N 2 1 379.504 3.954 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1F ZINC001173176058 906251483 /nfs/dbraw/zinc/25/14/83/906251483.db2.gz GGGVLSQCBDAEDA-XHSDSOJGSA-N 2 1 381.492 3.631 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000192731580 907869027 /nfs/dbraw/zinc/86/90/27/907869027.db2.gz XIAGCBYGCMCDTQ-UZUQRXQVSA-N 2 1 395.503 3.983 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4ccc([N+](=O)[O-])cc43)c2)CCO1 ZINC000192731580 907869039 /nfs/dbraw/zinc/86/90/39/907869039.db2.gz XIAGCBYGCMCDTQ-UZUQRXQVSA-N 2 1 395.503 3.983 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956420 934382729 /nfs/dbraw/zinc/38/27/29/934382729.db2.gz KIMAKTPZDXEMEW-UHFFFAOYSA-N 2 1 393.491 4.000 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956420 934382737 /nfs/dbraw/zinc/38/27/37/934382737.db2.gz KIMAKTPZDXEMEW-UHFFFAOYSA-N 2 1 393.491 4.000 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000468656594 1015877942 /nfs/dbraw/zinc/87/79/42/1015877942.db2.gz XYKBKPNNDSVTJZ-AQTBWJFISA-N 2 1 381.476 3.620 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1CC[NH2+]C[C@H]1F ZINC001219210651 1031306314 /nfs/dbraw/zinc/30/63/14/1031306314.db2.gz IRQIBNYRIBXGDJ-ZWKOTPCHSA-N 2 1 380.467 3.649 20 5 GHBDMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001219980903 1031728436 /nfs/dbraw/zinc/72/84/36/1031728436.db2.gz QOFGDSBGNMKEEV-UUOWRZLLSA-N 2 1 389.543 3.711 20 5 GHBDMP Cc1cc([C@H]2CCC[N@H+]2CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC001461972725 1069923685 /nfs/dbraw/zinc/92/36/85/1069923685.db2.gz XUIKETZNRIWUCF-OAQYLSRUSA-N 2 1 398.507 3.983 20 5 GHBDMP O=C(NCCCCCC[NH2+][C@@H]1CC[NH2+]C1)c1c2ccccc2nc2ccccc21 ZINC001246484898 1037431020 /nfs/dbraw/zinc/43/10/20/1037431020.db2.gz SFBJZEQADIFVDV-GOSISDBHSA-N 2 1 390.531 3.630 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2Cc3ccccc3C3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001246864555 1037683138 /nfs/dbraw/zinc/68/31/38/1037683138.db2.gz WHHAQOKNZHNHFS-QGZVFWFLSA-N 2 1 395.503 3.671 20 5 GHBDMP Cc1ncsc1C[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308619733 1050035457 /nfs/dbraw/zinc/03/54/57/1050035457.db2.gz PWZJLWFQFOUXQT-UHFFFAOYSA-N 2 1 388.537 3.746 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649421 1064153820 /nfs/dbraw/zinc/15/38/20/1064153820.db2.gz BDQNZCCGNAXZFY-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649421 1064153824 /nfs/dbraw/zinc/15/38/24/1064153824.db2.gz BDQNZCCGNAXZFY-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459649421 1064153830 /nfs/dbraw/zinc/15/38/30/1064153830.db2.gz BDQNZCCGNAXZFY-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649421 1064153837 /nfs/dbraw/zinc/15/38/37/1064153837.db2.gz BDQNZCCGNAXZFY-NZQKXSOJSA-N 2 1 395.503 3.960 20 5 GHBDMP COc1c(O)ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000892467539 835822955 /nfs/dbraw/zinc/82/29/55/835822955.db2.gz JZSKMLCASKXZAW-UHFFFAOYSA-N 2 1 385.464 3.585 20 5 GHBDMP O=[N+]([O-])c1cccc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc2)c1 ZINC000180516282 837338103 /nfs/dbraw/zinc/33/81/03/837338103.db2.gz FHGDMUHASVDLIT-FGZHOGPDSA-N 2 1 383.492 3.511 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506935 861752574 /nfs/dbraw/zinc/75/25/74/861752574.db2.gz BCHUITVUXKDQNY-OALUTQOASA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506935 861752580 /nfs/dbraw/zinc/75/25/80/861752580.db2.gz BCHUITVUXKDQNY-OALUTQOASA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506935 861752584 /nfs/dbraw/zinc/75/25/84/861752584.db2.gz BCHUITVUXKDQNY-OALUTQOASA-N 2 1 375.513 3.950 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000303506935 861752588 /nfs/dbraw/zinc/75/25/88/861752588.db2.gz BCHUITVUXKDQNY-OALUTQOASA-N 2 1 375.513 3.950 20 5 GHBDMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435376656 850425141 /nfs/dbraw/zinc/42/51/41/850425141.db2.gz SMSYINSTZCBDOI-LBPRGKRZSA-N 2 1 394.269 3.659 20 5 GHBDMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435376656 850425145 /nfs/dbraw/zinc/42/51/45/850425145.db2.gz SMSYINSTZCBDOI-LBPRGKRZSA-N 2 1 394.269 3.659 20 5 GHBDMP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1[NH3+] ZINC000435372641 850440188 /nfs/dbraw/zinc/44/01/88/850440188.db2.gz KSLGUOMAEPDDOM-ZBEGNZNMSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1[NH3+] ZINC000435372641 850440194 /nfs/dbraw/zinc/44/01/94/850440194.db2.gz KSLGUOMAEPDDOM-ZBEGNZNMSA-N 2 1 394.269 3.786 20 5 GHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000489658995 852512441 /nfs/dbraw/zinc/51/24/41/852512441.db2.gz MUXKMBNFWUKBNJ-UHFFFAOYSA-N 2 1 383.492 3.818 20 5 GHBDMP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000237207699 855845235 /nfs/dbraw/zinc/84/52/35/855845235.db2.gz DDELXUWBIHAUNT-UHFFFAOYSA-N 2 1 389.521 3.914 20 5 GHBDMP CCC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000595068523 858370682 /nfs/dbraw/zinc/37/06/82/858370682.db2.gz IKQGWYFAAARDJG-FCHUYYIVSA-N 2 1 383.492 3.792 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815948 /nfs/dbraw/zinc/81/59/48/859815948.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815955 /nfs/dbraw/zinc/81/59/55/859815955.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815963 /nfs/dbraw/zinc/81/59/63/859815963.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)o2)c([N+](=O)[O-])c1 ZINC000552110820 859815967 /nfs/dbraw/zinc/81/59/67/859815967.db2.gz BSUKRCKDNFTAIQ-OAQYLSRUSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797458 870627512 /nfs/dbraw/zinc/62/75/12/870627512.db2.gz ITPIEJBNJWEOPC-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797458 870627519 /nfs/dbraw/zinc/62/75/19/870627519.db2.gz ITPIEJBNJWEOPC-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797458 870627526 /nfs/dbraw/zinc/62/75/26/870627526.db2.gz ITPIEJBNJWEOPC-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797458 870627536 /nfs/dbraw/zinc/62/75/36/870627536.db2.gz ITPIEJBNJWEOPC-DNVCBOLYSA-N 2 1 385.464 3.780 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460355207 872928297 /nfs/dbraw/zinc/92/82/97/872928297.db2.gz WLXZGWHGNFEUIF-OEWRPIJISA-N 2 1 383.492 3.720 20 5 GHBDMP C[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C[NH+](C)C ZINC000491599737 875833725 /nfs/dbraw/zinc/83/37/25/875833725.db2.gz UXGDZWCFWHJJLX-GFCCVEGCSA-N 2 1 396.285 3.905 20 5 GHBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237668297 877757426 /nfs/dbraw/zinc/75/74/26/877757426.db2.gz UKSOOHAINPKYQD-KRWDZBQOSA-N 2 1 385.512 3.597 20 5 GHBDMP CC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480988 885800572 /nfs/dbraw/zinc/80/05/72/885800572.db2.gz LEZSOKHWIAXERK-FGZHOGPDSA-N 2 1 382.508 3.624 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000536693159 893549926 /nfs/dbraw/zinc/54/99/26/893549926.db2.gz IZTXCEPRVDHOIQ-LJQANCHMSA-N 2 1 387.480 3.788 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C1)CC2 ZINC001172906661 905931180 /nfs/dbraw/zinc/93/11/80/905931180.db2.gz XUOGTISWWGYANW-VAMGGRTRSA-N 2 1 397.544 3.968 20 5 GHBDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910620 906017978 /nfs/dbraw/zinc/01/79/78/906017978.db2.gz ZNRKAWMHTBOYTJ-IBGZPJMESA-N 2 1 380.492 3.785 20 5 GHBDMP [NH3+]CCC[C@H]1CCCC[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173014582 906092233 /nfs/dbraw/zinc/09/22/33/906092233.db2.gz STIIZWBQFUTQLF-OAHLLOKOSA-N 2 1 396.482 3.683 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c1F ZINC001173188835 906269296 /nfs/dbraw/zinc/26/92/96/906269296.db2.gz HGHODPCDAFNOGI-OAHLLOKOSA-N 2 1 381.492 3.726 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246294021 910219202 /nfs/dbraw/zinc/21/92/02/910219202.db2.gz OZYOKDRJIIUIFJ-DYESRHJHSA-N 2 1 375.513 3.605 20 5 GHBDMP CC1CC[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560514132 933303433 /nfs/dbraw/zinc/30/34/33/933303433.db2.gz FMDASZCPQKKMGT-HXUWFJFHSA-N 2 1 385.512 3.519 20 5 GHBDMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000560524884 933310844 /nfs/dbraw/zinc/31/08/44/933310844.db2.gz BOVXNLLGRXNCEY-OAQYLSRUSA-N 2 1 399.539 3.765 20 5 GHBDMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560525703 933311891 /nfs/dbraw/zinc/31/18/91/933311891.db2.gz VOHXGSPGMLSJHD-OAQYLSRUSA-N 2 1 399.539 3.765 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC001116442918 933560963 /nfs/dbraw/zinc/56/09/63/933560963.db2.gz XDNJUKILSKWGCX-UHFFFAOYSA-N 2 1 381.476 3.628 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CC2 ZINC001116442918 933560973 /nfs/dbraw/zinc/56/09/73/933560973.db2.gz XDNJUKILSKWGCX-UHFFFAOYSA-N 2 1 381.476 3.628 20 5 GHBDMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000564973499 1019133682 /nfs/dbraw/zinc/13/36/82/1019133682.db2.gz DYKGKRJLTWTXFE-UHFFFAOYSA-N 2 1 387.480 3.599 20 5 GHBDMP C[NH+](C)/C=C/c1cc(-n2cc(CC[NH3+])c3c2cccc3Cl)ncc1[N+](=O)[O-] ZINC001162658747 1025856032 /nfs/dbraw/zinc/85/60/32/1025856032.db2.gz LZQOXJWKWLHYRK-VQHVLOKHSA-N 2 1 385.855 3.621 20 5 GHBDMP O[C@@H]1C[NH2+]CC[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400003 1027490080 /nfs/dbraw/zinc/49/00/80/1027490080.db2.gz OXSRVYONFJDQPV-OAHLLOKOSA-N 2 1 384.483 3.722 20 5 GHBDMP O[C@@H]1C[NH2+]CC[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400003 1027490086 /nfs/dbraw/zinc/49/00/86/1027490086.db2.gz OXSRVYONFJDQPV-OAHLLOKOSA-N 2 1 384.483 3.722 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246619241 1037510785 /nfs/dbraw/zinc/51/07/85/1037510785.db2.gz JXFARIUFYVGSPR-IRLDBZIGSA-N 2 1 377.488 3.531 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1)C2 ZINC001246945069 1037750604 /nfs/dbraw/zinc/75/06/04/1037750604.db2.gz FKDCXVGPALILMM-OAQYLSRUSA-N 2 1 385.895 3.970 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC1)[NH2+]CCc1ccccc13)CC2 ZINC001247002196 1037827653 /nfs/dbraw/zinc/82/76/53/1037827653.db2.gz LMNWYZUUPJFFJC-NRFANRHFSA-N 2 1 391.515 3.979 20 5 GHBDMP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001319764188 1055451902 /nfs/dbraw/zinc/45/19/02/1055451902.db2.gz YWROEWSVUCELSY-JOCHJYFZSA-N 2 1 382.508 3.583 20 5 GHBDMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180110878 837392139 /nfs/dbraw/zinc/39/21/39/837392139.db2.gz PBPKUURAAKSDTA-HSZRJFAPSA-N 2 1 396.535 3.692 20 5 GHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413943 842423192 /nfs/dbraw/zinc/42/31/92/842423192.db2.gz PDKUGWQGHPGHDT-DLBZAZTESA-N 2 1 381.542 3.556 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1[NH3+] ZINC000435372639 850440609 /nfs/dbraw/zinc/44/06/09/850440609.db2.gz KSLGUOMAEPDDOM-BZNIZROVSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[C@@H]1[NH3+] ZINC000435372639 850440612 /nfs/dbraw/zinc/44/06/12/850440612.db2.gz KSLGUOMAEPDDOM-BZNIZROVSA-N 2 1 394.269 3.786 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434661294 851439488 /nfs/dbraw/zinc/43/94/88/851439488.db2.gz HQASBMAAFBWEFC-UHFFFAOYSA-N 2 1 384.480 3.776 20 5 GHBDMP O=[N+]([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cs2)c1 ZINC000592433550 857440162 /nfs/dbraw/zinc/44/01/62/857440162.db2.gz APZXDVPHXISNHM-SJORKVTESA-N 2 1 386.521 3.930 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319703 881352410 /nfs/dbraw/zinc/35/24/10/881352410.db2.gz YRXCEBJTBSJJRZ-LPHOPBHVSA-N 2 1 375.513 3.779 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC001170319703 881352441 /nfs/dbraw/zinc/35/24/41/881352441.db2.gz YRXCEBJTBSJJRZ-LPHOPBHVSA-N 2 1 375.513 3.779 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594222 881566798 /nfs/dbraw/zinc/56/67/98/881566798.db2.gz XVRORTFCDNHYAY-KKSFZXQISA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594222 881566800 /nfs/dbraw/zinc/56/68/00/881566800.db2.gz XVRORTFCDNHYAY-KKSFZXQISA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)ccn1 ZINC000856594222 881566804 /nfs/dbraw/zinc/56/68/04/881566804.db2.gz XVRORTFCDNHYAY-KKSFZXQISA-N 2 1 384.480 3.656 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120780 878829444 /nfs/dbraw/zinc/82/94/44/878829444.db2.gz QFWMMWYUEFYWSA-UNMCSNQZSA-N 2 1 395.503 3.520 20 5 GHBDMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000493311981 879374667 /nfs/dbraw/zinc/37/46/67/879374667.db2.gz VUIMERFIZFWWEA-HZPDHXFCSA-N 2 1 395.931 3.960 20 5 GHBDMP CC(C)[N@@H+](C)CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000533272508 890141230 /nfs/dbraw/zinc/14/12/30/890141230.db2.gz CFUBOAMYVWKPQQ-UHFFFAOYSA-N 2 1 386.496 3.845 20 5 GHBDMP CCc1ccc([C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873293953 891562797 /nfs/dbraw/zinc/56/27/97/891562797.db2.gz RSEVWCIRFHNHRQ-TZIWHRDSSA-N 2 1 399.491 3.588 20 5 GHBDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819446015 896679489 /nfs/dbraw/zinc/67/94/89/896679489.db2.gz WSCYKWYAGJNONJ-QFIPXVFZSA-N 2 1 398.507 3.518 20 5 GHBDMP C[N@H+]1CCC[C@H](C(=O)Nc2cc3oc4cc(=[NH2+])ccc-4nc3c3ccccc23)C1 ZINC001186362980 914476051 /nfs/dbraw/zinc/47/60/51/914476051.db2.gz YNRYRPWBXOZHOX-AWEZNQCLSA-N 2 1 386.455 3.846 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181984095 911109142 /nfs/dbraw/zinc/10/91/42/911109142.db2.gz NRGQGGYCRBLUDH-OAHLLOKOSA-N 2 1 392.503 3.625 20 5 GHBDMP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181984095 911109154 /nfs/dbraw/zinc/10/91/54/911109154.db2.gz NRGQGGYCRBLUDH-OAHLLOKOSA-N 2 1 392.503 3.625 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001191359715 917960619 /nfs/dbraw/zinc/96/06/19/917960619.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC001191359715 917960631 /nfs/dbraw/zinc/96/06/31/917960631.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC001191359715 917960636 /nfs/dbraw/zinc/96/06/36/917960636.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC001191359715 917960650 /nfs/dbraw/zinc/96/06/50/917960650.db2.gz XLFIMSMEJPKFIL-HSZRJFAPSA-N 2 1 395.503 3.962 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3C3CCCCC3)CC2)cc1 ZINC000798002372 932486730 /nfs/dbraw/zinc/48/67/30/932486730.db2.gz FVXFDBONVNXLFB-JOCHJYFZSA-N 2 1 386.540 3.950 20 5 GHBDMP COc1ccc2nc3ccc(OC)cc3c(SCCC[NH2+][C@@H]3CC[NH2+]C3)c2c1 ZINC001246287161 1037276774 /nfs/dbraw/zinc/27/67/74/1037276774.db2.gz KQVPOXKMUGMMML-OAHLLOKOSA-N 2 1 397.544 3.839 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601009 1037495585 /nfs/dbraw/zinc/49/55/85/1037495585.db2.gz FTLVCFPUGFIGSS-LAUBAEHRSA-N 2 1 375.513 3.780 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1C[C@@H](c3ccccc3)C3(C[NH2+]C3)C1)CC2 ZINC001246619244 1037509224 /nfs/dbraw/zinc/50/92/24/1037509224.db2.gz JXFARIUFYVGSPR-UNMCSNQZSA-N 2 1 377.488 3.531 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001246653650 1037529513 /nfs/dbraw/zinc/52/95/13/1037529513.db2.gz IPNAUNRJSZYSAS-YOEHRIQHSA-N 2 1 379.476 3.528 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001246681864 1037545634 /nfs/dbraw/zinc/54/56/34/1037545634.db2.gz ABARJUKECPNDEC-JMUQELJHSA-N 2 1 379.504 3.779 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+](CC(C)(C)C)C2CC[NH2+]CC2)c1F ZINC001246950024 1037753872 /nfs/dbraw/zinc/75/38/72/1037753872.db2.gz OMBMAWIIIUWEOZ-AWEZNQCLSA-N 2 1 381.492 3.774 20 5 GHBDMP Cc1cc(F)ccc1C[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CC[NH2+]CC1 ZINC001246963040 1037785114 /nfs/dbraw/zinc/78/51/14/1037785114.db2.gz WOKLDKIJXUWQJC-JOCHJYFZSA-N 2 1 383.467 3.764 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC001254581806 1040356930 /nfs/dbraw/zinc/35/69/30/1040356930.db2.gz MYUJIMMQZUMVMY-WENLIBGGSA-N 2 1 377.488 3.562 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000430212632 835149171 /nfs/dbraw/zinc/14/91/71/835149171.db2.gz OVNRMTKELJWUIP-UHFFFAOYSA-N 2 1 383.492 3.947 20 5 GHBDMP CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029868 835761705 /nfs/dbraw/zinc/76/17/05/835761705.db2.gz YJMNAXBYOYJNCV-UHFFFAOYSA-N 2 1 398.507 3.816 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000246911429 836263219 /nfs/dbraw/zinc/26/32/19/836263219.db2.gz GGXNMMFKSAORBF-WMZOPIPTSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1c([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cccc1[N+](=O)[O-] ZINC000246911429 836263229 /nfs/dbraw/zinc/26/32/29/836263229.db2.gz GGXNMMFKSAORBF-WMZOPIPTSA-N 2 1 383.492 3.975 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)o2)cc1 ZINC000048565159 842282783 /nfs/dbraw/zinc/28/27/83/842282783.db2.gz CGKNJIQNILRJEV-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432674954 843421217 /nfs/dbraw/zinc/42/12/17/843421217.db2.gz GSPJDHXLDAKWFH-IBGZPJMESA-N 2 1 387.505 3.679 20 5 GHBDMP C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000435380861 850447758 /nfs/dbraw/zinc/44/77/58/850447758.db2.gz UCYGPKOEOKEXPA-UHFFFAOYSA-N 2 1 391.475 3.631 20 5 GHBDMP C[N@@H+](Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000435380861 850447762 /nfs/dbraw/zinc/44/77/62/850447762.db2.gz UCYGPKOEOKEXPA-UHFFFAOYSA-N 2 1 391.475 3.631 20 5 GHBDMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000489681504 852529268 /nfs/dbraw/zinc/52/92/68/852529268.db2.gz USPVUGKYIOMJPU-UHFFFAOYSA-N 2 1 383.492 3.947 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000171051803 862567181 /nfs/dbraw/zinc/56/71/81/862567181.db2.gz CMVCXRSDJHFWEL-CALCHBBNSA-N 2 1 387.480 3.834 20 5 GHBDMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591743001 856236990 /nfs/dbraw/zinc/23/69/90/856236990.db2.gz RSVRKMLJWSGRLK-KRWDZBQOSA-N 2 1 396.491 3.739 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 ZINC000160315647 858792231 /nfs/dbraw/zinc/79/22/31/858792231.db2.gz DJQWAHRKOWCNQK-LJQANCHMSA-N 2 1 396.535 3.892 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552959 881379117 /nfs/dbraw/zinc/37/91/17/881379117.db2.gz IZWMEJULVIYVLB-HSTAZWAASA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552959 881379138 /nfs/dbraw/zinc/37/91/38/881379138.db2.gz IZWMEJULVIYVLB-HSTAZWAASA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552959 881379158 /nfs/dbraw/zinc/37/91/58/881379158.db2.gz IZWMEJULVIYVLB-HSTAZWAASA-N 2 1 396.491 3.608 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195694 870149699 /nfs/dbraw/zinc/14/96/99/870149699.db2.gz YYINTSOXQQJTKT-QFBILLFUSA-N 2 1 399.491 3.755 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000525195694 870149705 /nfs/dbraw/zinc/14/97/05/870149705.db2.gz YYINTSOXQQJTKT-QFBILLFUSA-N 2 1 399.491 3.755 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797160 870626902 /nfs/dbraw/zinc/62/69/02/870626902.db2.gz QXUARBNZXGIDJN-LKUPVBHCSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797160 870626905 /nfs/dbraw/zinc/62/69/05/870626905.db2.gz QXUARBNZXGIDJN-LKUPVBHCSA-N 2 1 385.464 3.538 20 5 GHBDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021986 871122564 /nfs/dbraw/zinc/12/25/64/871122564.db2.gz MBBJRYCPHMFYMG-AZNNDXHDSA-N 2 1 377.554 3.726 20 5 GHBDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021986 871122573 /nfs/dbraw/zinc/12/25/73/871122573.db2.gz MBBJRYCPHMFYMG-AZNNDXHDSA-N 2 1 377.554 3.726 20 5 GHBDMP COc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000464688135 874318133 /nfs/dbraw/zinc/31/81/33/874318133.db2.gz HHOJWFJCPRHGCK-UHFFFAOYSA-N 2 1 379.476 3.831 20 5 GHBDMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819542 877588528 /nfs/dbraw/zinc/58/85/28/877588528.db2.gz SIOJSYGVEGWIPI-PXNSSMCTSA-N 2 1 383.492 3.994 20 5 GHBDMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492819542 877588535 /nfs/dbraw/zinc/58/85/35/877588535.db2.gz SIOJSYGVEGWIPI-PXNSSMCTSA-N 2 1 383.492 3.994 20 5 GHBDMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc([N+](=O)[O-])cc43)cc2)CC1 ZINC000192706055 883802471 /nfs/dbraw/zinc/80/24/71/883802471.db2.gz BPERETRXBTWORX-QHCPKHFHSA-N 2 1 394.519 3.509 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504920 887596831 /nfs/dbraw/zinc/59/68/31/887596831.db2.gz HYNGRZIZTBBQRQ-XLIONFOSSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504920 887596838 /nfs/dbraw/zinc/59/68/38/887596838.db2.gz HYNGRZIZTBBQRQ-XLIONFOSSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564848227 895280401 /nfs/dbraw/zinc/28/04/01/895280401.db2.gz DQAYKNYQIHCHGZ-IEBWSBKVSA-N 2 1 396.491 3.566 20 5 GHBDMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000564848227 895280410 /nfs/dbraw/zinc/28/04/10/895280410.db2.gz DQAYKNYQIHCHGZ-IEBWSBKVSA-N 2 1 396.491 3.566 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323609 896568592 /nfs/dbraw/zinc/56/85/92/896568592.db2.gz NMSCPUDHDKTVLB-KNQAVFIVSA-N 2 1 383.492 3.520 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583514 921162449 /nfs/dbraw/zinc/16/24/49/921162449.db2.gz ZIOLQBOVFSVEGL-SFTDATJTSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583514 921162451 /nfs/dbraw/zinc/16/24/51/921162451.db2.gz ZIOLQBOVFSVEGL-SFTDATJTSA-N 2 1 383.492 3.519 20 5 GHBDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC001179771662 909699688 /nfs/dbraw/zinc/69/96/88/909699688.db2.gz KKMHSBJRINYZHS-QHAWAJNXSA-N 2 1 395.503 3.994 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000470185966 930440343 /nfs/dbraw/zinc/44/03/43/930440343.db2.gz NLXDRUGNGGJODM-ONLGVJTGSA-N 2 1 387.524 3.819 20 5 GHBDMP C[NH+](C)/C=C/c1cc(-n2c3ccccc3cc2[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001166652788 1027049225 /nfs/dbraw/zinc/04/92/25/1027049225.db2.gz IORKTDVWRDVDLH-QXLXQBSBSA-N 2 1 377.448 3.891 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCC[C@]4(CCCC[NH2+]C4)C3)CC2)cc1 ZINC001246613899 1037506140 /nfs/dbraw/zinc/50/61/40/1037506140.db2.gz ZPFJXPGPMSIDBH-QFIPXVFZSA-N 2 1 386.540 3.809 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@]4(CC4(F)F)C3)CC2)cc1 ZINC001462395539 1070224927 /nfs/dbraw/zinc/22/49/27/1070224927.db2.gz NCTXTHBGBAJBIH-FQEVSTJZSA-N 2 1 393.478 3.971 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](CC4CCCCC4)C3)CC2)cc1 ZINC001254468175 1040253642 /nfs/dbraw/zinc/25/36/42/1040253642.db2.gz BTBUKUSDKOMJMB-FQEVSTJZSA-N 2 1 386.540 3.808 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+](CC4CCCCC4)C3)CC2)cc1 ZINC001254468175 1040253648 /nfs/dbraw/zinc/25/36/48/1040253648.db2.gz BTBUKUSDKOMJMB-FQEVSTJZSA-N 2 1 386.540 3.808 20 5 GHBDMP [NH3+]C1(c2ccc(F)cc2)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254470219 1040256125 /nfs/dbraw/zinc/25/61/25/1040256125.db2.gz KJHDKXLQSVKQMC-UHFFFAOYSA-N 2 1 398.482 3.653 20 5 GHBDMP CC(C)[C@H]1C[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCS1 ZINC001474360082 1074363336 /nfs/dbraw/zinc/36/33/36/1074363336.db2.gz JHDLIUFJRVJCNK-OAQYLSRUSA-N 2 1 391.581 3.923 20 5 GHBDMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433240209 843890221 /nfs/dbraw/zinc/89/02/21/843890221.db2.gz NMDQVTAZIBGSFY-DENIHFKCSA-N 2 1 395.503 3.674 20 5 GHBDMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435430915 850514639 /nfs/dbraw/zinc/51/46/39/850514639.db2.gz FXQJDFZEJNULJB-LJQANCHMSA-N 2 1 399.491 3.756 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092404 851232708 /nfs/dbraw/zinc/23/27/08/851232708.db2.gz FFMWMKASBYEVLB-LVCYWYKZSA-N 2 1 399.539 3.765 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000514092404 851232711 /nfs/dbraw/zinc/23/27/11/851232711.db2.gz FFMWMKASBYEVLB-LVCYWYKZSA-N 2 1 399.539 3.765 20 5 GHBDMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000592427584 857402112 /nfs/dbraw/zinc/40/21/12/857402112.db2.gz FHVYLDKYGWTZDS-ICSRJNTNSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OCc3ccc([N+](=O)[O-])cc3)c2)CC[C@@H]1[NH3+] ZINC000592427584 857402118 /nfs/dbraw/zinc/40/21/18/857402118.db2.gz FHVYLDKYGWTZDS-ICSRJNTNSA-N 2 1 399.491 3.742 20 5 GHBDMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000442921899 858245483 /nfs/dbraw/zinc/24/54/83/858245483.db2.gz NUYZDTOIMPKOBU-QGZVFWFLSA-N 2 1 399.491 3.743 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000593316236 859388881 /nfs/dbraw/zinc/38/88/81/859388881.db2.gz BFXQDOJVQLVGEZ-QFIXIFRTSA-N 2 1 385.464 3.716 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585370 881557843 /nfs/dbraw/zinc/55/78/43/881557843.db2.gz CSIIUGMQCQLRHL-UTKZUKDTSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585370 881557856 /nfs/dbraw/zinc/55/78/56/881557856.db2.gz CSIIUGMQCQLRHL-UTKZUKDTSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585370 881557869 /nfs/dbraw/zinc/55/78/69/881557869.db2.gz CSIIUGMQCQLRHL-UTKZUKDTSA-N 2 1 398.507 3.964 20 5 GHBDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878286 881766710 /nfs/dbraw/zinc/76/67/10/881766710.db2.gz UKERFLCFQRIZFI-DNVCBOLYSA-N 2 1 384.436 3.503 20 5 GHBDMP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000449104337 874476006 /nfs/dbraw/zinc/47/60/06/874476006.db2.gz VGSINSVSMKOPEI-QGZVFWFLSA-N 2 1 383.492 3.789 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000776276912 876146668 /nfs/dbraw/zinc/14/66/68/876146668.db2.gz LRYDQGKGTQHSKT-VGOFRKELSA-N 2 1 383.492 3.650 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)s2)cc1 ZINC000111386082 879082208 /nfs/dbraw/zinc/08/22/08/879082208.db2.gz MCHVYGRXAMNMHG-SFHVURJKSA-N 2 1 389.521 3.650 20 5 GHBDMP Cc1c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498303 885872432 /nfs/dbraw/zinc/87/24/32/885872432.db2.gz YMNZZDLWMAWORB-GHTZIAJQSA-N 2 1 382.508 3.543 20 5 GHBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121944809 891957833 /nfs/dbraw/zinc/95/78/33/891957833.db2.gz BIQJKOCSPCVPTK-QGZVFWFLSA-N 2 1 388.512 3.510 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@H](c4nccn4C)C3)o2)c([N+](=O)[O-])c1 ZINC000564612137 895122104 /nfs/dbraw/zinc/12/21/04/895122104.db2.gz SOAACDVQTRUXFT-AWEZNQCLSA-N 2 1 382.420 3.586 20 5 GHBDMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[N@H+]1Cc1ccccc1 ZINC000819189504 896458645 /nfs/dbraw/zinc/45/86/45/896458645.db2.gz HVJBHYVTCYFKIE-JUXOCIIHSA-N 2 1 383.492 3.519 20 5 GHBDMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000819190174 896460176 /nfs/dbraw/zinc/46/01/76/896460176.db2.gz MQHAVGLAZSGKOK-JUXOCIIHSA-N 2 1 383.492 3.519 20 5 GHBDMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648609 898005934 /nfs/dbraw/zinc/00/59/34/898005934.db2.gz CUFQSDIYOMCJKS-RYUDHWBXSA-N 2 1 394.269 3.929 20 5 GHBDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648609 898005948 /nfs/dbraw/zinc/00/59/48/898005948.db2.gz CUFQSDIYOMCJKS-RYUDHWBXSA-N 2 1 394.269 3.929 20 5 GHBDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@H](C)C1 ZINC001173014559 906092125 /nfs/dbraw/zinc/09/21/25/906092125.db2.gz SEKJEPWOVRFYEQ-KUHUBIRLSA-N 2 1 396.482 3.550 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)c2ccccc2)c1F ZINC001173178247 906256164 /nfs/dbraw/zinc/25/61/64/906256164.db2.gz KMPNUGPSCMIMMT-QAPCUYQASA-N 2 1 389.471 3.956 20 5 GHBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001177299267 908501377 /nfs/dbraw/zinc/50/13/77/908501377.db2.gz MXXATQSZSMNANE-CQSZACIVSA-N 2 1 384.318 3.959 20 5 GHBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000118948850 919599612 /nfs/dbraw/zinc/59/96/12/919599612.db2.gz HMFZVAFTCDOBAZ-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000118948850 919599628 /nfs/dbraw/zinc/59/96/28/919599628.db2.gz HMFZVAFTCDOBAZ-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP O=[N+]([O-])c1cc(Br)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903216545 922860241 /nfs/dbraw/zinc/86/02/41/922860241.db2.gz CYFTYLVACUDSRS-VHRNVKJDSA-N 2 1 380.286 3.605 20 5 GHBDMP CCCC(C[NH3+])(CCC)[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246499775 1037444002 /nfs/dbraw/zinc/44/40/02/1037444002.db2.gz FDFPXQIHMSPEBY-UHFFFAOYSA-N 2 1 384.471 3.729 20 5 GHBDMP COc1cccc(CC2([NH3+])CC[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001254545928 1040314098 /nfs/dbraw/zinc/31/40/98/1040314098.db2.gz QPVKAAVNGJUDRI-KRWDZBQOSA-N 2 1 383.492 3.570 20 5 GHBDMP COc1cccc(CC2([NH3+])CC[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC001254546005 1040314994 /nfs/dbraw/zinc/31/49/94/1040314994.db2.gz QPVKAAVNGJUDRI-QGZVFWFLSA-N 2 1 383.492 3.570 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC001254581803 1040356177 /nfs/dbraw/zinc/35/61/77/1040356177.db2.gz MYUJIMMQZUMVMY-CVNLYIMZSA-N 2 1 377.488 3.562 20 5 GHBDMP O=[N+]([O-])c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1Br ZINC000849349516 1067817338 /nfs/dbraw/zinc/81/73/38/1067817338.db2.gz BVYHPHVQSLMFFM-HNNXBMFYSA-N 2 1 382.302 3.569 20 5 GHBDMP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC001460608531 1069026555 /nfs/dbraw/zinc/02/65/55/1069026555.db2.gz UWBXZKIGXISQMG-UHFFFAOYSA-N 2 1 382.302 3.665 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CC1 ZINC000180737988 837506273 /nfs/dbraw/zinc/50/62/73/837506273.db2.gz QUMFDPCRDAQJNV-HXUWFJFHSA-N 2 1 387.524 3.541 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c([N+](=O)[O-])c1 ZINC000584291284 835849277 /nfs/dbraw/zinc/84/92/77/835849277.db2.gz JBWMDGGYURHKNM-HZPDHXFCSA-N 2 1 385.464 3.685 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599659193 861490184 /nfs/dbraw/zinc/49/01/84/861490184.db2.gz FHPHMDQDKSEPQH-INIZCTEOSA-N 2 1 384.480 3.506 20 5 GHBDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000435374645 850421970 /nfs/dbraw/zinc/42/19/70/850421970.db2.gz JEPVPPBCGOQDHQ-NWDGAFQWSA-N 2 1 394.269 3.786 20 5 GHBDMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859850 862366400 /nfs/dbraw/zinc/36/64/00/862366400.db2.gz YYRKMMPTLLPAMT-PXNSSMCTSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000556859850 862366420 /nfs/dbraw/zinc/36/64/20/862366420.db2.gz YYRKMMPTLLPAMT-PXNSSMCTSA-N 2 1 385.512 3.662 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000589326416 854792152 /nfs/dbraw/zinc/79/21/52/854792152.db2.gz FSXQXMLWUSPVDK-FQEVSTJZSA-N 2 1 383.492 3.995 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000589326416 854792156 /nfs/dbraw/zinc/79/21/56/854792156.db2.gz FSXQXMLWUSPVDK-FQEVSTJZSA-N 2 1 383.492 3.995 20 5 GHBDMP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000592427769 856866082 /nfs/dbraw/zinc/86/60/82/856866082.db2.gz ZQOBBUZHVDMWFK-ICSRJNTNSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@@H]1[NH3+] ZINC000592427769 856866089 /nfs/dbraw/zinc/86/60/89/856866089.db2.gz ZQOBBUZHVDMWFK-ICSRJNTNSA-N 2 1 399.491 3.742 20 5 GHBDMP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000575124245 858572889 /nfs/dbraw/zinc/57/28/89/858572889.db2.gz YBZSLAHFXVKXNN-UTKZUKDTSA-N 2 1 396.491 3.644 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593073 881566686 /nfs/dbraw/zinc/56/66/86/881566686.db2.gz ZIBRFOSCTRTZRQ-LPHOPBHVSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593073 881566689 /nfs/dbraw/zinc/56/66/89/881566689.db2.gz ZIBRFOSCTRTZRQ-LPHOPBHVSA-N 2 1 384.480 3.656 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856593073 881566694 /nfs/dbraw/zinc/56/66/94/881566694.db2.gz ZIBRFOSCTRTZRQ-LPHOPBHVSA-N 2 1 384.480 3.656 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792878059 881766566 /nfs/dbraw/zinc/76/65/66/881766566.db2.gz RTGNOWYNZACFGU-JIPZTSHUSA-N 2 1 398.463 3.749 20 5 GHBDMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000480797712 865289438 /nfs/dbraw/zinc/28/94/38/865289438.db2.gz QJLZIKPNZCCLTB-XMSQKQJNSA-N 2 1 382.508 3.624 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)CC1 ZINC000738070747 865478716 /nfs/dbraw/zinc/47/87/16/865478716.db2.gz KMMWRHZCOYZIAO-UHFFFAOYSA-N 2 1 378.498 3.883 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000618566797 871725246 /nfs/dbraw/zinc/72/52/46/871725246.db2.gz FBPWGTOZIDTMNK-ACDBMABISA-N 2 1 381.476 3.889 20 5 GHBDMP COc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1[N+](=O)[O-] ZINC000618566797 871725251 /nfs/dbraw/zinc/72/52/51/871725251.db2.gz FBPWGTOZIDTMNK-ACDBMABISA-N 2 1 381.476 3.889 20 5 GHBDMP C[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000447529833 871762122 /nfs/dbraw/zinc/76/21/22/871762122.db2.gz LCBHDMGDPJOSMH-YZGWKJHDSA-N 2 1 385.512 3.775 20 5 GHBDMP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c2ccccc2)CC1 ZINC000567676725 897330665 /nfs/dbraw/zinc/33/06/65/897330665.db2.gz OSSVCEGZGLKDRT-PKTZIBPZSA-N 2 1 394.519 3.551 20 5 GHBDMP Cc1ccc2c(C[C@@H](C)[NH3+])cn(-c3ccc([N+](=O)[O-])c4c3CC[N@@H+](C)C4)c2c1 ZINC001171169121 901935658 /nfs/dbraw/zinc/93/56/58/901935658.db2.gz YUPKPKIZHWVKMY-OAHLLOKOSA-N 2 1 378.476 3.725 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583511 921161597 /nfs/dbraw/zinc/16/15/97/921161597.db2.gz ZIOLQBOVFSVEGL-NHCUHLMSSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583511 921161603 /nfs/dbraw/zinc/16/16/03/921161603.db2.gz ZIOLQBOVFSVEGL-NHCUHLMSSA-N 2 1 383.492 3.519 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H](C)C[NH3+])c1F ZINC001173181505 906261704 /nfs/dbraw/zinc/26/17/04/906261704.db2.gz FDCIDBGQDLDMTM-HOTGVXAUSA-N 2 1 389.471 3.771 20 5 GHBDMP Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001162935527 1025972227 /nfs/dbraw/zinc/97/22/27/1025972227.db2.gz RUBFXGSNFALUTL-HXUWFJFHSA-N 2 1 394.519 3.817 20 5 GHBDMP COc1ccc(C[C@H](C)[NH2+]C2(c3ccc(F)cc3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246336931 1037301053 /nfs/dbraw/zinc/30/10/53/1037301053.db2.gz PJFNTUQGJYRRQB-HNNXBMFYSA-N 2 1 387.455 3.542 20 5 GHBDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001246643264 1037526163 /nfs/dbraw/zinc/52/61/63/1037526163.db2.gz XNDJKGHSMGOAAH-QGZVFWFLSA-N 2 1 395.503 3.671 20 5 GHBDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])CC2 ZINC001246643264 1037526171 /nfs/dbraw/zinc/52/61/71/1037526171.db2.gz XNDJKGHSMGOAAH-QGZVFWFLSA-N 2 1 395.503 3.671 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+]2CCCC[C@H]2C2CC[NH2+]CC2)c1F ZINC001246653639 1037529357 /nfs/dbraw/zinc/52/93/57/1037529357.db2.gz IPNAUNRJSZYSAS-PBHICJAKSA-N 2 1 379.476 3.528 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@@]4(CC4(F)F)C3)CC2)cc1 ZINC001462395549 1070225047 /nfs/dbraw/zinc/22/50/47/1070225047.db2.gz NCTXTHBGBAJBIH-HXUWFJFHSA-N 2 1 393.478 3.971 20 5 GHBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588417 1040362991 /nfs/dbraw/zinc/36/29/91/1040362991.db2.gz FUNFBZXXPKMION-VOQZNFBZSA-N 2 1 379.504 3.810 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608260 1040380463 /nfs/dbraw/zinc/38/04/63/1040380463.db2.gz QBBHISUANQEGOE-XKCSPQBFSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608260 1040380477 /nfs/dbraw/zinc/38/04/77/1040380477.db2.gz QBBHISUANQEGOE-XKCSPQBFSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C1)C2 ZINC001254608260 1040380486 /nfs/dbraw/zinc/38/04/86/1040380486.db2.gz QBBHISUANQEGOE-XKCSPQBFSA-N 2 1 377.488 3.516 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649413 1064153858 /nfs/dbraw/zinc/15/38/58/1064153858.db2.gz BDQNZCCGNAXZFY-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC001459649413 1064153863 /nfs/dbraw/zinc/15/38/63/1064153863.db2.gz BDQNZCCGNAXZFY-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC001459649413 1064153867 /nfs/dbraw/zinc/15/38/67/1064153867.db2.gz BDQNZCCGNAXZFY-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC001459649413 1064153872 /nfs/dbraw/zinc/15/38/72/1064153872.db2.gz BDQNZCCGNAXZFY-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000093597653 842255213 /nfs/dbraw/zinc/25/52/13/842255213.db2.gz FIKFGJXKYPKOGJ-INIZCTEOSA-N 2 1 385.464 3.781 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)c([N+](=O)[O-])c1 ZINC000093597653 842255218 /nfs/dbraw/zinc/25/52/18/842255218.db2.gz FIKFGJXKYPKOGJ-INIZCTEOSA-N 2 1 385.464 3.781 20 5 GHBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875247 861307346 /nfs/dbraw/zinc/30/73/46/861307346.db2.gz ABTZNRHSEKTXFB-QGZVFWFLSA-N 2 1 388.512 3.510 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000599659194 861490164 /nfs/dbraw/zinc/49/01/64/861490164.db2.gz FHPHMDQDKSEPQH-MRXNPFEDSA-N 2 1 384.480 3.506 20 5 GHBDMP C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000435368803 850434786 /nfs/dbraw/zinc/43/47/86/850434786.db2.gz CDVDVIVOXLBHMF-HRAATJIYSA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] ZINC000435368803 850434793 /nfs/dbraw/zinc/43/47/93/850434793.db2.gz CDVDVIVOXLBHMF-HRAATJIYSA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435381039 850446520 /nfs/dbraw/zinc/44/65/20/850446520.db2.gz UTMRAXUWASILQJ-AEFFLSMTSA-N 2 1 391.475 3.617 20 5 GHBDMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000542924172 856839104 /nfs/dbraw/zinc/83/91/04/856839104.db2.gz GNRZMLAWZWIJNB-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000542924172 856839107 /nfs/dbraw/zinc/83/91/07/856839107.db2.gz GNRZMLAWZWIJNB-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000542924172 856839110 /nfs/dbraw/zinc/83/91/10/856839110.db2.gz GNRZMLAWZWIJNB-GASCZTMLSA-N 2 1 381.904 3.569 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])cc2)CC1 ZINC000594493346 858191174 /nfs/dbraw/zinc/19/11/74/858191174.db2.gz CWGIFEHESYXXTD-QFIPXVFZSA-N 2 1 394.519 3.509 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+](Cc2ccncc2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170329245 881367693 /nfs/dbraw/zinc/36/76/93/881367693.db2.gz YFYYLNGZLQCZOO-NSISKUIASA-N 2 1 398.507 3.702 20 5 GHBDMP O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C[NH2+]C2 ZINC001170333668 881378928 /nfs/dbraw/zinc/37/89/28/881378928.db2.gz QZMVHXMCYDAKPA-OWZKRDHZSA-N 2 1 378.476 3.806 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000593314672 859380793 /nfs/dbraw/zinc/38/07/93/859380793.db2.gz DZSUCKQAYAFVIL-LZJOCLMNSA-N 2 1 385.464 3.573 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1 ZINC000593316832 859394337 /nfs/dbraw/zinc/39/43/37/859394337.db2.gz YSKKCUQHZRSWDZ-CSODHUTKSA-N 2 1 385.464 3.573 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554843301 865003794 /nfs/dbraw/zinc/00/37/94/865003794.db2.gz MEUSBDVLQIKEAL-OAQYLSRUSA-N 2 1 383.492 3.864 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000554843301 865003809 /nfs/dbraw/zinc/00/38/09/865003809.db2.gz MEUSBDVLQIKEAL-OAQYLSRUSA-N 2 1 383.492 3.864 20 5 GHBDMP CC(C)[NH+]1CCC(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000866470364 888897214 /nfs/dbraw/zinc/89/72/14/888897214.db2.gz WRCQFHYSFWBVMS-FQEVSTJZSA-N 2 1 385.512 3.518 20 5 GHBDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819445056 896679206 /nfs/dbraw/zinc/67/92/06/896679206.db2.gz MXZAMIFQVMLGOR-QFIPXVFZSA-N 2 1 398.507 3.518 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535316 /nfs/dbraw/zinc/53/53/16/899535316.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535327 /nfs/dbraw/zinc/53/53/27/899535327.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535335 /nfs/dbraw/zinc/53/53/35/899535335.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOc3cccc([N+](=O)[O-])c3)C2)s1 ZINC000570726118 899535344 /nfs/dbraw/zinc/53/53/44/899535344.db2.gz REZRFFMKTJYUPE-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CC1 ZINC000572167423 900085190 /nfs/dbraw/zinc/08/51/90/900085190.db2.gz FITOOAYZBKFCHX-KRWDZBQOSA-N 2 1 386.521 3.882 20 5 GHBDMP CCCC[NH+]1CCC([N@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194715 906279957 /nfs/dbraw/zinc/27/99/57/906279957.db2.gz YWGGGVIMXHNMNJ-OAHLLOKOSA-N 2 1 381.492 3.870 20 5 GHBDMP CCCC[NH+]1CCC([N@@H+](C)[C@H](C)Cc2c(F)c(OC)ccc2[N+](=O)[O-])CC1 ZINC001173194715 906279970 /nfs/dbraw/zinc/27/99/70/906279970.db2.gz YWGGGVIMXHNMNJ-OAHLLOKOSA-N 2 1 381.492 3.870 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(C)ccc([N+](=O)[O-])c3C)cc2)CC1 ZINC001177295175 908500211 /nfs/dbraw/zinc/50/02/11/908500211.db2.gz YQPKXXDXTCRCIE-UHFFFAOYSA-N 2 1 396.535 3.639 20 5 GHBDMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799986 915112420 /nfs/dbraw/zinc/11/24/20/915112420.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@H]1C[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799986 915112428 /nfs/dbraw/zinc/11/24/28/915112428.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799986 915112437 /nfs/dbraw/zinc/11/24/37/915112437.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@H]1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799986 915112446 /nfs/dbraw/zinc/11/24/46/915112446.db2.gz WOYQJRUDRUPJIZ-AZUAARDMSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000749675154 927230139 /nfs/dbraw/zinc/23/01/39/927230139.db2.gz IRQPWJPODSOUAG-VGSWGCGISA-N 2 1 383.492 3.650 20 5 GHBDMP C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781424788 930840176 /nfs/dbraw/zinc/84/01/76/930840176.db2.gz DFORYHOVZJSMGB-MSOLQXFVSA-N 2 1 386.540 3.806 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000468597605 1015833592 /nfs/dbraw/zinc/83/35/92/1015833592.db2.gz DTADXDVGZJAGNL-FUAYJARZSA-N 2 1 395.503 3.745 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000468655620 1015877399 /nfs/dbraw/zinc/87/73/99/1015877399.db2.gz MWVPUVDTHNKDQB-AQTBWJFISA-N 2 1 381.476 3.620 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839464319 1025953281 /nfs/dbraw/zinc/95/32/81/1025953281.db2.gz GTWJIRZBQMOKHU-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC001219210933 1031306631 /nfs/dbraw/zinc/30/66/31/1031306631.db2.gz OXPHYZZZSRIAPV-GOSISDBHSA-N 2 1 376.504 3.947 20 5 GHBDMP CC(C)[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001161049912 1035126118 /nfs/dbraw/zinc/12/61/18/1035126118.db2.gz JINSRZGHARTRPA-RDPSFJRHSA-N 2 1 389.543 3.804 20 5 GHBDMP COc1ccc(C[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C2CC[NH2+]CC2)cc1 ZINC001246968712 1037791929 /nfs/dbraw/zinc/79/19/29/1037791929.db2.gz XDHALPYZBKTCIX-QGZVFWFLSA-N 2 1 383.492 3.789 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1Cc3ccccc3C13CC[NH2+]CC3)CC2 ZINC001247011424 1037834832 /nfs/dbraw/zinc/83/48/32/1037834832.db2.gz RYWURDPOHVTIFD-FQEVSTJZSA-N 2 1 377.488 3.937 20 5 GHBDMP C[N@H+]1CCC[C@@H]([NH2+]CCCNC(=O)c2c3ccccc3nc3ccccc32)CC1 ZINC001254514597 1040289486 /nfs/dbraw/zinc/28/94/86/1040289486.db2.gz MWUQTGVHHVFNCR-GOSISDBHSA-N 2 1 390.531 3.582 20 5 GHBDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2ccc(F)cc2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254586456 1040360070 /nfs/dbraw/zinc/36/00/70/1040360070.db2.gz JPRJRTPHUSPZSR-KCZVDYSFSA-N 2 1 383.467 3.973 20 5 GHBDMP C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588418 1040362143 /nfs/dbraw/zinc/36/21/43/1040362143.db2.gz FUNFBZXXPKMION-WTNAPCKOSA-N 2 1 379.504 3.810 20 5 GHBDMP COC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3c(Cl)c3ccccc32)CC[C@@H]1[NH3+] ZINC001236414677 1041706545 /nfs/dbraw/zinc/70/65/45/1041706545.db2.gz LWJPZFKWMVQDDH-PMACEKPBSA-N 2 1 382.891 3.969 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCSC[C@H]3C3CC3)CC2)cc1 ZINC001308775170 1050089574 /nfs/dbraw/zinc/08/95/74/1050089574.db2.gz MKMKHDRPTXZWMT-NRFANRHFSA-N 2 1 389.565 3.677 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000849349802 1067816006 /nfs/dbraw/zinc/81/60/06/1067816006.db2.gz HFSHVORVHACRFT-CQSZACIVSA-N 2 1 382.302 3.569 20 5 GHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000603875244 861307813 /nfs/dbraw/zinc/30/78/13/861307813.db2.gz ABTZNRHSEKTXFB-KRWDZBQOSA-N 2 1 388.512 3.510 20 5 GHBDMP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c2cc([N+](=O)[O-])ccc21 ZINC000433147841 845505394 /nfs/dbraw/zinc/50/53/94/845505394.db2.gz DUJAZUNPSPMXMU-QFIPXVFZSA-N 2 1 395.503 3.939 20 5 GHBDMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000513786498 847576187 /nfs/dbraw/zinc/57/61/87/847576187.db2.gz IATSJNSAVPBHIE-RCLSDMTESA-N 2 1 389.540 3.785 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126700610 853242169 /nfs/dbraw/zinc/24/21/69/853242169.db2.gz BEZNHTLGGXIMED-GOSISDBHSA-N 2 1 382.508 3.501 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2ccccc2)c1 ZINC000245906002 857195724 /nfs/dbraw/zinc/19/57/24/857195724.db2.gz FHGDMUHASVDLIT-VXKWHMMOSA-N 2 1 383.492 3.511 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000442925684 858234118 /nfs/dbraw/zinc/23/41/18/858234118.db2.gz WDRBCVOQYSCMLD-QGZVFWFLSA-N 2 1 399.491 3.743 20 5 GHBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000593316311 859389627 /nfs/dbraw/zinc/38/96/27/859389627.db2.gz BQDCKWGVZDPCSI-PBEJRMEISA-N 2 1 385.464 3.716 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797161 870627221 /nfs/dbraw/zinc/62/72/21/870627221.db2.gz QXUARBNZXGIDJN-OZOXKJRCSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000538797161 870627225 /nfs/dbraw/zinc/62/72/25/870627225.db2.gz QXUARBNZXGIDJN-OZOXKJRCSA-N 2 1 385.464 3.538 20 5 GHBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443599575 874299182 /nfs/dbraw/zinc/29/91/82/874299182.db2.gz DLNALGGKAUSCHU-KRWDZBQOSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000449096174 874466653 /nfs/dbraw/zinc/46/66/53/874466653.db2.gz FJORLISSCXSGLU-MSOLQXFVSA-N 2 1 383.492 3.536 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000449096174 874466655 /nfs/dbraw/zinc/46/66/55/874466655.db2.gz FJORLISSCXSGLU-MSOLQXFVSA-N 2 1 383.492 3.536 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000449096177 874466705 /nfs/dbraw/zinc/46/67/05/874466705.db2.gz FJORLISSCXSGLU-ZWKOTPCHSA-N 2 1 383.492 3.536 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000449096177 874466707 /nfs/dbraw/zinc/46/67/07/874466707.db2.gz FJORLISSCXSGLU-ZWKOTPCHSA-N 2 1 383.492 3.536 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCCC34CC[NH+](C)CC4)o2)c([N+](=O)[O-])c1 ZINC000616141628 878575545 /nfs/dbraw/zinc/57/55/45/878575545.db2.gz CUIBUXBKPDQKLC-UHFFFAOYSA-N 2 1 385.464 3.924 20 5 GHBDMP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000609625551 883447692 /nfs/dbraw/zinc/44/76/92/883447692.db2.gz KQPXIXYSULPCPT-UHFFFAOYSA-N 2 1 383.492 3.960 20 5 GHBDMP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000609625551 883447705 /nfs/dbraw/zinc/44/77/05/883447705.db2.gz KQPXIXYSULPCPT-UHFFFAOYSA-N 2 1 383.492 3.960 20 5 GHBDMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555878 893994851 /nfs/dbraw/zinc/99/48/51/893994851.db2.gz JNKHWWXAHSVBEA-BBWFWOEESA-N 2 1 398.507 3.637 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000121846848 901686126 /nfs/dbraw/zinc/68/61/26/901686126.db2.gz YAOYRFOZCAFNBR-UHFFFAOYSA-N 2 1 399.495 3.733 20 5 GHBDMP Cc1cccc(N(C2CC[NH2+]CC2)[C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)[nH+]1 ZINC001172913930 905983804 /nfs/dbraw/zinc/98/38/04/905983804.db2.gz VVUZJIBEFQQGMO-IBGZPJMESA-N 2 1 380.492 3.804 20 5 GHBDMP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)[C@@H](C)C1 ZINC001173014560 906091665 /nfs/dbraw/zinc/09/16/65/906091665.db2.gz SEKJEPWOVRFYEQ-LIRRHRJNSA-N 2 1 396.482 3.550 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507394 908634422 /nfs/dbraw/zinc/63/44/22/908634422.db2.gz JNHHLPPSBMYBLG-OAHLLOKOSA-N 2 1 398.467 3.877 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000191507394 908634430 /nfs/dbraw/zinc/63/44/30/908634430.db2.gz JNHHLPPSBMYBLG-OAHLLOKOSA-N 2 1 398.467 3.877 20 5 GHBDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000118948944 919599691 /nfs/dbraw/zinc/59/96/91/919599691.db2.gz HMFZVAFTCDOBAZ-GJZGRUSLSA-N 2 1 381.904 3.569 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560531535 933316341 /nfs/dbraw/zinc/31/63/41/933316341.db2.gz ZXVHOHSCNOICSL-FQEVSTJZSA-N 2 1 385.512 3.664 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232298 1069454618 /nfs/dbraw/zinc/45/46/18/1069454618.db2.gz OGMCGTIYQIBDJD-BEFAXECRSA-N 2 1 375.494 3.838 20 5 GHBDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232298 1069454623 /nfs/dbraw/zinc/45/46/23/1069454623.db2.gz OGMCGTIYQIBDJD-BEFAXECRSA-N 2 1 375.494 3.838 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126270 1029816954 /nfs/dbraw/zinc/81/69/54/1029816954.db2.gz HLQIPQPQHMQLTE-KBPBESRZSA-N 2 1 382.302 3.569 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001219209854 1031306967 /nfs/dbraw/zinc/30/69/67/1031306967.db2.gz BLDOEZWEJYRLHX-SFHVURJKSA-N 3 1 393.535 3.547 20 5 GHBDMP CC(C)[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001161049913 1035125845 /nfs/dbraw/zinc/12/58/45/1035125845.db2.gz JINSRZGHARTRPA-YKSBVNFPSA-N 2 1 389.543 3.804 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001254572055 1040347619 /nfs/dbraw/zinc/34/76/19/1040347619.db2.gz HHRCLWZIAJXCJU-YUMYIRISSA-N 2 1 377.488 3.847 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC001254572054 1040348946 /nfs/dbraw/zinc/34/89/46/1040348946.db2.gz HHRCLWZIAJXCJU-KJJMTIBFSA-N 2 1 377.488 3.847 20 5 GHBDMP COc1cccc(C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC001254587961 1040361487 /nfs/dbraw/zinc/36/14/87/1040361487.db2.gz STFYZIYYHKKOGU-ONTIZHBOSA-N 2 1 395.503 3.843 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC001254611114 1040384275 /nfs/dbraw/zinc/38/42/75/1040384275.db2.gz VTQKSDHLIOXPEI-YZUZCNPQSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC001254611114 1040384286 /nfs/dbraw/zinc/38/42/86/1040384286.db2.gz VTQKSDHLIOXPEI-YZUZCNPQSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C1)C2 ZINC001254611114 1040384302 /nfs/dbraw/zinc/38/43/02/1040384302.db2.gz VTQKSDHLIOXPEI-YZUZCNPQSA-N 2 1 391.515 3.906 20 5 GHBDMP C[NH+]1CCN(c2ccc(NCc3ccc([N+](=O)[O-])cc3F)c3c[nH+]ccc32)CC1 ZINC001462670607 1070459949 /nfs/dbraw/zinc/45/99/49/1070459949.db2.gz ZMUCBZLIQSHBKD-UHFFFAOYSA-N 2 1 395.438 3.646 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1)CC1CC1 ZINC000536141010 835112663 /nfs/dbraw/zinc/11/26/63/835112663.db2.gz MRBDJLAOPYPJNI-UHFFFAOYSA-N 2 1 375.513 3.937 20 5 GHBDMP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000414932864 839002895 /nfs/dbraw/zinc/00/28/95/839002895.db2.gz WCHLBNITBXHPRJ-ZWKOTPCHSA-N 2 1 385.464 3.542 20 5 GHBDMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000592427682 857402979 /nfs/dbraw/zinc/40/29/79/857402979.db2.gz PVVWXYAEQXLWNC-LPHOPBHVSA-N 2 1 399.491 3.742 20 5 GHBDMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482685968 858761873 /nfs/dbraw/zinc/76/18/73/858761873.db2.gz FUVZTBMMYGBECC-UHFFFAOYSA-N 2 1 393.491 3.815 20 5 GHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000482685968 858761878 /nfs/dbraw/zinc/76/18/78/858761878.db2.gz FUVZTBMMYGBECC-UHFFFAOYSA-N 2 1 393.491 3.815 20 5 GHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444684955 867060889 /nfs/dbraw/zinc/06/08/89/867060889.db2.gz OVUHCDOJYQHHKB-UHFFFAOYSA-N 2 1 394.479 3.605 20 5 GHBDMP COc1ccc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC001168992562 871073559 /nfs/dbraw/zinc/07/35/59/871073559.db2.gz FTVPGGYHRAKDRA-IRXDYDNUSA-N 2 1 383.492 3.850 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000539072272 871260801 /nfs/dbraw/zinc/26/08/01/871260801.db2.gz PFDCUFHUDAAKBH-QGZVFWFLSA-N 2 1 398.507 3.942 20 5 GHBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000447516627 871735245 /nfs/dbraw/zinc/73/52/45/871735245.db2.gz HMSFWZZNDJLBDJ-PMACEKPBSA-N 2 1 383.496 3.529 20 5 GHBDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447544003 871818095 /nfs/dbraw/zinc/81/80/95/871818095.db2.gz UMOLUVVOOKELAR-NHCUHLMSSA-N 2 1 397.523 3.838 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447554179 871843636 /nfs/dbraw/zinc/84/36/36/871843636.db2.gz ZGALIIACANFJQE-PMACEKPBSA-N 2 1 385.512 3.905 20 5 GHBDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564557 871872148 /nfs/dbraw/zinc/87/21/48/871872148.db2.gz XTQIOBSFGDUTEZ-WOJBJXKFSA-N 2 1 385.512 3.905 20 5 GHBDMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000449104336 874475760 /nfs/dbraw/zinc/47/57/60/874475760.db2.gz VGSINSVSMKOPEI-KRWDZBQOSA-N 2 1 383.492 3.789 20 5 GHBDMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000537659561 883006092 /nfs/dbraw/zinc/00/60/92/883006092.db2.gz YJYANOWGHMLXCC-MMHDITDQSA-N 2 1 387.524 3.819 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000237680153 877789311 /nfs/dbraw/zinc/78/93/11/877789311.db2.gz KIVCAIUDNVMBII-HDICACEKSA-N 2 1 399.539 3.843 20 5 GHBDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)cc2)C1 ZINC000876930918 893392398 /nfs/dbraw/zinc/39/23/98/893392398.db2.gz GYFZFONGLOGTSF-PBPGXSGUSA-N 2 1 383.496 3.517 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818960108 896267277 /nfs/dbraw/zinc/26/72/77/896267277.db2.gz XNFBMIZDEUTVIJ-HTAPYJJXSA-N 2 1 383.492 3.650 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519642 918040067 /nfs/dbraw/zinc/04/00/67/918040067.db2.gz ADGASMHHUTWMLZ-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519642 918040076 /nfs/dbraw/zinc/04/00/76/918040076.db2.gz ADGASMHHUTWMLZ-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001191519642 918040083 /nfs/dbraw/zinc/04/00/83/918040083.db2.gz ADGASMHHUTWMLZ-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519642 918040097 /nfs/dbraw/zinc/04/00/97/918040097.db2.gz ADGASMHHUTWMLZ-REWPJTCUSA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126272 1029816707 /nfs/dbraw/zinc/81/67/07/1029816707.db2.gz HLQIPQPQHMQLTE-UONOGXRCSA-N 2 1 382.302 3.569 20 5 GHBDMP C[C@H]1SCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@@H]1C ZINC001461961623 1069916818 /nfs/dbraw/zinc/91/68/18/1069916818.db2.gz SSLJHDQTHCWUGG-IAGOWNOFSA-N 2 1 377.554 3.675 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246673066 1037537295 /nfs/dbraw/zinc/53/72/95/1037537295.db2.gz NVCLSWCAJFUCOC-GMKZXUHWSA-N 2 1 391.515 3.921 20 5 GHBDMP Cc1cccc(N(C2CC[NH2+]CC2)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC001254481500 1040268583 /nfs/dbraw/zinc/26/85/83/1040268583.db2.gz CVDYRSCJHJCROX-UHFFFAOYSA-N 2 1 395.507 3.526 20 5 GHBDMP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1)c1cccc([N+](=O)[O-])c1 ZINC001319764189 1055452480 /nfs/dbraw/zinc/45/24/80/1055452480.db2.gz YWROEWSVUCELSY-QFIPXVFZSA-N 2 1 382.508 3.583 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH2+]C3CC3)o2)c(Br)c1 ZINC000415068905 839158805 /nfs/dbraw/zinc/15/88/05/839158805.db2.gz NVNRETVRQMWUOH-UHFFFAOYSA-N 2 1 394.269 3.849 20 5 GHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000303204667 861583322 /nfs/dbraw/zinc/58/33/22/861583322.db2.gz PGAPLLIVPROWSN-UHFFFAOYSA-N 2 1 383.492 3.818 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000052209152 849402833 /nfs/dbraw/zinc/40/28/33/849402833.db2.gz AZKPZQOIERGPPO-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000052209152 849402837 /nfs/dbraw/zinc/40/28/37/849402837.db2.gz AZKPZQOIERGPPO-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP COc1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000435428808 850511647 /nfs/dbraw/zinc/51/16/47/850511647.db2.gz SVXNRYSPMBBBPA-LJQANCHMSA-N 2 1 387.505 3.809 20 5 GHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(Cl)c1 ZINC000414995401 853553053 /nfs/dbraw/zinc/55/30/53/853553053.db2.gz FNOCBIPQUVICEQ-MAUKXSAKSA-N 2 1 377.847 3.870 20 5 GHBDMP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3cnccc23)([NH+]2CCCCC2)CC1 ZINC000301451957 854754078 /nfs/dbraw/zinc/75/40/78/854754078.db2.gz LURXHIJAZUOVOS-UHFFFAOYSA-N 2 1 383.496 3.505 20 5 GHBDMP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536490797 856241887 /nfs/dbraw/zinc/24/18/87/856241887.db2.gz IIYSXZUGGQURQB-UHFFFAOYSA-N 2 1 395.503 3.962 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000183157290 866284307 /nfs/dbraw/zinc/28/43/07/866284307.db2.gz NNIKZXFBLPMVET-GJZGRUSLSA-N 2 1 393.447 3.767 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000618571809 871737969 /nfs/dbraw/zinc/73/79/69/871737969.db2.gz ZZZCIVSCTVOEQU-ZKTXZKFHSA-N 2 1 381.476 3.759 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000447554181 871844727 /nfs/dbraw/zinc/84/47/27/871844727.db2.gz ZGALIIACANFJQE-UXHICEINSA-N 2 1 385.512 3.905 20 5 GHBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000766976435 872133530 /nfs/dbraw/zinc/13/35/30/872133530.db2.gz YLTDKNIOGKASQE-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000766976435 872133542 /nfs/dbraw/zinc/13/35/42/872133542.db2.gz YLTDKNIOGKASQE-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000619722881 872921950 /nfs/dbraw/zinc/92/19/50/872921950.db2.gz PJYKJIDDJIQRFM-QGZVFWFLSA-N 2 1 384.480 3.776 20 5 GHBDMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788633838 878224889 /nfs/dbraw/zinc/22/48/89/878224889.db2.gz VGMCZMUCRXGWIK-SVQXRNPESA-N 2 1 382.508 3.984 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000762077003 885346741 /nfs/dbraw/zinc/34/67/41/885346741.db2.gz YOSSUEQHCQLNFK-UHFFFAOYSA-N 2 1 382.468 3.587 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000762077003 885346758 /nfs/dbraw/zinc/34/67/58/885346758.db2.gz YOSSUEQHCQLNFK-UHFFFAOYSA-N 2 1 382.468 3.587 20 5 GHBDMP C[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815621677 894054101 /nfs/dbraw/zinc/05/41/01/894054101.db2.gz AGGDGHQNPKVGPJ-VCANKDNSSA-N 2 1 386.418 3.633 20 5 GHBDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000819445054 896679658 /nfs/dbraw/zinc/67/96/58/896679658.db2.gz MXZAMIFQVMLGOR-JOCHJYFZSA-N 2 1 398.507 3.518 20 5 GHBDMP CCCC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983169 907333539 /nfs/dbraw/zinc/33/35/39/907333539.db2.gz FFWAMSVXONWWDI-UHFFFAOYSA-N 2 1 390.528 3.605 20 5 GHBDMP CCCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983169 907333554 /nfs/dbraw/zinc/33/35/54/907333554.db2.gz FFWAMSVXONWWDI-UHFFFAOYSA-N 2 1 390.528 3.605 20 5 GHBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192929591 908019860 /nfs/dbraw/zinc/01/98/60/908019860.db2.gz GUAFMPVUKONDJN-MRXNPFEDSA-N 2 1 391.418 3.808 20 5 GHBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192929591 908019881 /nfs/dbraw/zinc/01/98/81/908019881.db2.gz GUAFMPVUKONDJN-MRXNPFEDSA-N 2 1 391.418 3.808 20 5 GHBDMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCc3ccccc3[N+](=O)[O-])CCCC2)CC1 ZINC000468557064 1015803915 /nfs/dbraw/zinc/80/39/15/1015803915.db2.gz VKUIUYNNYDSDGQ-GOSISDBHSA-N 2 1 389.540 3.929 20 5 GHBDMP c1ccc([C@H]2C[N@@H+](Cc3ccc4ccc5cccnc5c4n3)CC23C[NH2+]C3)cc1 ZINC001222609305 1030232390 /nfs/dbraw/zinc/23/23/90/1030232390.db2.gz MXEHDYAPUSETEQ-JOCHJYFZSA-N 2 1 380.495 3.972 20 5 GHBDMP c1ccc([C@H]2C[N@H+](Cc3ccc4ccc5cccnc5c4n3)CC23C[NH2+]C3)cc1 ZINC001222609305 1030232410 /nfs/dbraw/zinc/23/24/10/1030232410.db2.gz MXEHDYAPUSETEQ-JOCHJYFZSA-N 2 1 380.495 3.972 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C1)CC2 ZINC001246684716 1037549074 /nfs/dbraw/zinc/54/90/74/1037549074.db2.gz NVCLSWCAJFUCOC-QTJGBDASSA-N 2 1 391.515 3.921 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](Cc1ccc(F)cc1)CC1CC[NH2+]CC1)C2 ZINC001246934863 1037736787 /nfs/dbraw/zinc/73/67/87/1037736787.db2.gz CIYULJZSFWXHEY-JOCHJYFZSA-N 2 1 383.467 3.703 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001254558954 1040330047 /nfs/dbraw/zinc/33/00/47/1040330047.db2.gz WNUXMOCGJJQABC-LJQANCHMSA-N 2 1 394.519 3.909 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]2C1 ZINC001355372351 1057136014 /nfs/dbraw/zinc/13/60/14/1057136014.db2.gz BBLJRIAJQGPFQH-XYJFISCASA-N 2 1 386.521 3.880 20 5 GHBDMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC001340527389 1059964260 /nfs/dbraw/zinc/96/42/60/1059964260.db2.gz MHJXOFAPKRXACQ-SFHVURJKSA-N 2 1 382.508 3.501 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532988 834587183 /nfs/dbraw/zinc/58/71/83/834587183.db2.gz ZOEYVWBRSZKRPP-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532988 834587187 /nfs/dbraw/zinc/58/71/87/834587187.db2.gz ZOEYVWBRSZKRPP-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)o2)c([N+](=O)[O-])c1 ZINC000583532988 834587190 /nfs/dbraw/zinc/58/71/90/834587190.db2.gz ZOEYVWBRSZKRPP-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000430956284 843252452 /nfs/dbraw/zinc/25/24/52/843252452.db2.gz NYKZDSUSZVZRQI-GOSISDBHSA-N 2 1 388.556 3.784 20 5 GHBDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414804295 850603242 /nfs/dbraw/zinc/60/32/42/850603242.db2.gz XEIFGNUKGGVFAL-FQEVSTJZSA-N 2 1 379.464 3.520 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)s2)cc1 ZINC000414887073 852043011 /nfs/dbraw/zinc/04/30/11/852043011.db2.gz WRYVXVGJIKOCPP-UHFFFAOYSA-N 2 1 382.489 3.988 20 5 GHBDMP CCC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000248432680 856173981 /nfs/dbraw/zinc/17/39/81/856173981.db2.gz CPDKOLPGKHKOKJ-YADHBBJMSA-N 2 1 383.492 3.792 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000595009196 858365353 /nfs/dbraw/zinc/36/53/53/858365353.db2.gz BCXLTILIYHQWSP-HKUYNNGSSA-N 2 1 383.492 3.819 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009196 858365359 /nfs/dbraw/zinc/36/53/59/858365359.db2.gz BCXLTILIYHQWSP-HKUYNNGSSA-N 2 1 383.492 3.819 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCCC2 ZINC000595066103 858369127 /nfs/dbraw/zinc/36/91/27/858369127.db2.gz BYGIPOOQYQWPQF-GGAORHGYSA-N 2 1 395.503 3.719 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000160353155 858827777 /nfs/dbraw/zinc/82/77/77/858827777.db2.gz NAISJWRQTWVUGK-LJQANCHMSA-N 2 1 396.535 3.892 20 5 GHBDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000116276300 858921927 /nfs/dbraw/zinc/92/19/27/858921927.db2.gz ZKBQEQMWDUENNL-GJZGRUSLSA-N 2 1 381.904 3.569 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)C1 ZINC000593314718 859380673 /nfs/dbraw/zinc/38/06/73/859380673.db2.gz GKWHSECLDRJTPJ-GCKMJXCFSA-N 2 1 385.464 3.573 20 5 GHBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000766974290 872132004 /nfs/dbraw/zinc/13/20/04/872132004.db2.gz HSVIIXLSNAEQBB-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000766974290 872132006 /nfs/dbraw/zinc/13/20/06/872132006.db2.gz HSVIIXLSNAEQBB-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877975795 893923975 /nfs/dbraw/zinc/92/39/75/893923975.db2.gz JWIJESCQEKQTJI-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000877975795 893923981 /nfs/dbraw/zinc/92/39/81/893923981.db2.gz JWIJESCQEKQTJI-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648714 898006072 /nfs/dbraw/zinc/00/60/72/898006072.db2.gz CUFQSDIYOMCJKS-VXGBXAGGSA-N 2 1 394.269 3.929 20 5 GHBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000568648714 898006078 /nfs/dbraw/zinc/00/60/78/898006078.db2.gz CUFQSDIYOMCJKS-VXGBXAGGSA-N 2 1 394.269 3.929 20 5 GHBDMP COc1ccccc1C1([NH3+])CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902690 905925097 /nfs/dbraw/zinc/92/50/97/905925097.db2.gz BKUBIRHVFRXDBY-LJQANCHMSA-N 2 1 395.503 3.801 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318247 /nfs/dbraw/zinc/31/82/47/906318247.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318261 /nfs/dbraw/zinc/31/82/61/906318261.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001173233272 906318276 /nfs/dbraw/zinc/31/82/76/906318276.db2.gz VDMFDSXPARMPBE-BVYCBKJFSA-N 2 1 379.504 3.980 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000468656595 1015878532 /nfs/dbraw/zinc/87/85/32/1015878532.db2.gz XYKBKPNNDSVTJZ-QGOAFFKASA-N 2 1 381.476 3.620 20 5 GHBDMP C[NH+](C)/C=C/c1cc(N(CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001162187124 1025655291 /nfs/dbraw/zinc/65/52/91/1025655291.db2.gz BIAIGDVWFLDOQI-DRDJENFHSA-N 2 1 387.528 3.789 20 5 GHBDMP CSCC[C@H](C)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001461905914 1069865466 /nfs/dbraw/zinc/86/54/66/1069865466.db2.gz UEQHKNBNPMCTTJ-KRWDZBQOSA-N 2 1 379.570 3.923 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](CC2CCC2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246965316 1037787324 /nfs/dbraw/zinc/78/73/24/1037787324.db2.gz PMAQMLNKNZDUNR-SNRMKQJTSA-N 2 1 375.513 3.906 20 5 GHBDMP O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000849349801 1067816306 /nfs/dbraw/zinc/81/63/06/1067816306.db2.gz HFSHVORVHACRFT-AWEZNQCLSA-N 2 1 382.302 3.569 20 5 GHBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000376714039 838649423 /nfs/dbraw/zinc/64/94/23/838649423.db2.gz BJLMTZQBZVATCO-UHFFFAOYSA-N 2 1 399.491 3.756 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)s2)cc1 ZINC000594992477 858359939 /nfs/dbraw/zinc/35/99/39/858359939.db2.gz FODDZSSCBFSBOU-GOSISDBHSA-N 2 1 387.505 3.666 20 5 GHBDMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000160353033 858826933 /nfs/dbraw/zinc/82/69/33/858826933.db2.gz NAISJWRQTWVUGK-IBGZPJMESA-N 2 1 396.535 3.892 20 5 GHBDMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000532188282 881364046 /nfs/dbraw/zinc/36/40/46/881364046.db2.gz ZFSYTNCIPWCUSR-OALUTQOASA-N 2 1 388.537 3.686 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000593316234 859388627 /nfs/dbraw/zinc/38/86/27/859388627.db2.gz BFXQDOJVQLVGEZ-MFMILTCTSA-N 2 1 385.464 3.716 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560570 881440589 /nfs/dbraw/zinc/44/05/89/881440589.db2.gz IYEQYRSATPTDMQ-NRFANRHFSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1ccc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560570 881440594 /nfs/dbraw/zinc/44/05/94/881440594.db2.gz IYEQYRSATPTDMQ-NRFANRHFSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cc1[N+](=O)[O-] ZINC000856560570 881440600 /nfs/dbraw/zinc/44/06/00/881440600.db2.gz IYEQYRSATPTDMQ-NRFANRHFSA-N 2 1 398.507 3.792 20 5 GHBDMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000540174774 870662610 /nfs/dbraw/zinc/66/26/10/870662610.db2.gz ZEEKMDVRBMTSJM-KRWDZBQOSA-N 2 1 398.507 3.942 20 5 GHBDMP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000447529829 871762441 /nfs/dbraw/zinc/76/24/41/871762441.db2.gz LCBHDMGDPJOSMH-MISYRCLQSA-N 2 1 385.512 3.775 20 5 GHBDMP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000447562527 871866378 /nfs/dbraw/zinc/86/63/78/871866378.db2.gz LSRDMOHHQBOVOU-SFTDATJTSA-N 2 1 397.523 3.572 20 5 GHBDMP CC(C)c1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC001201626841 875802096 /nfs/dbraw/zinc/80/20/96/875802096.db2.gz QEPCOERMNUZHNW-OAQYLSRUSA-N 2 1 397.519 3.965 20 5 GHBDMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000538446312 879504196 /nfs/dbraw/zinc/50/41/96/879504196.db2.gz XCJHYDSXYLPNJF-UHFFFAOYSA-N 2 1 397.475 3.534 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774908408 914004063 /nfs/dbraw/zinc/00/40/63/914004063.db2.gz HEBNJZQBKRWKAY-MRXNPFEDSA-N 2 1 390.484 3.980 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774908408 914004078 /nfs/dbraw/zinc/00/40/78/914004078.db2.gz HEBNJZQBKRWKAY-MRXNPFEDSA-N 2 1 390.484 3.980 20 5 GHBDMP Cc1cc(N(C2CC[NH2+]CC2)[C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)nc(C)[nH+]1 ZINC001172913949 905983904 /nfs/dbraw/zinc/98/39/04/905983904.db2.gz WJYWYLYIKPXVQN-LJQANCHMSA-N 2 1 395.507 3.508 20 5 GHBDMP Cc1noc(C)c1C[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001180011458 909881970 /nfs/dbraw/zinc/88/19/70/909881970.db2.gz NFUQHBLMMMKOBA-UHFFFAOYSA-N 2 1 386.496 3.586 20 5 GHBDMP CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197940 919385234 /nfs/dbraw/zinc/38/52/34/919385234.db2.gz QFBLQGSCPRHSAZ-UHFFFAOYSA-N 2 1 383.496 3.883 20 5 GHBDMP CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114197940 919385256 /nfs/dbraw/zinc/38/52/56/919385256.db2.gz QFBLQGSCPRHSAZ-UHFFFAOYSA-N 2 1 383.496 3.883 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000470185967 930440490 /nfs/dbraw/zinc/44/04/90/930440490.db2.gz NLXDRUGNGGJODM-PEJLPUCESA-N 2 1 387.524 3.819 20 5 GHBDMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000560525702 933312437 /nfs/dbraw/zinc/31/24/37/933312437.db2.gz VOHXGSPGMLSJHD-NRFANRHFSA-N 2 1 399.539 3.765 20 5 GHBDMP O=[N+]([O-])c1cc2c(cc1N[C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C[NH2+]C2 ZINC001164492929 1026530395 /nfs/dbraw/zinc/53/03/95/1026530395.db2.gz PEFHPEKJYXWLQE-LSTHTHJFSA-N 2 1 378.476 3.521 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+](Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1)C2 ZINC001246959714 1037776837 /nfs/dbraw/zinc/77/68/37/1037776837.db2.gz XULKGOBWZCYMFO-IBGZPJMESA-N 2 1 387.430 3.594 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CC[N@@H+](Cc4ccoc4)C3)CC1)C2 ZINC001254595004 1040367697 /nfs/dbraw/zinc/36/76/97/1040367697.db2.gz HWGZATSNIGXGQN-NRFANRHFSA-N 2 1 381.476 3.643 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]2C1 ZINC001343333162 1053709672 /nfs/dbraw/zinc/70/96/72/1053709672.db2.gz NJODLJMBEHIFEH-SDDRHHMPSA-N 2 1 388.331 3.581 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@@H]2C1 ZINC001343333162 1053709685 /nfs/dbraw/zinc/70/96/85/1053709685.db2.gz NJODLJMBEHIFEH-SDDRHHMPSA-N 2 1 388.331 3.581 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CC(Oc4ccccc4)C3)CC2)cc1 ZINC001474761470 1074548573 /nfs/dbraw/zinc/54/85/73/1074548573.db2.gz KMRRSMHVVISYGG-UHFFFAOYSA-N 2 1 395.503 3.613 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000548930874 836211386 /nfs/dbraw/zinc/21/13/86/836211386.db2.gz KOTOYWJKGBZKBU-OAQYLSRUSA-N 2 1 383.492 3.864 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000548930874 836211393 /nfs/dbraw/zinc/21/13/93/836211393.db2.gz KOTOYWJKGBZKBU-OAQYLSRUSA-N 2 1 383.492 3.864 20 5 GHBDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361995 842184851 /nfs/dbraw/zinc/18/48/51/842184851.db2.gz GNKOVIIVQPMXDT-INIZCTEOSA-N 2 1 389.521 3.914 20 5 GHBDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CCCO1 ZINC000432361995 842184856 /nfs/dbraw/zinc/18/48/56/842184856.db2.gz GNKOVIIVQPMXDT-INIZCTEOSA-N 2 1 389.521 3.914 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)o2)c(Br)c1 ZINC000591278557 855880042 /nfs/dbraw/zinc/88/00/42/855880042.db2.gz PTPPMDWILHNFFS-LBPRGKRZSA-N 2 1 394.269 3.849 20 5 GHBDMP CC[C@H]1C[N@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000592427768 856867429 /nfs/dbraw/zinc/86/74/29/856867429.db2.gz ZQOBBUZHVDMWFK-AZUAARDMSA-N 2 1 399.491 3.742 20 5 GHBDMP CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC[C@H]1[NH3+] ZINC000592427768 856867442 /nfs/dbraw/zinc/86/74/42/856867442.db2.gz ZQOBBUZHVDMWFK-AZUAARDMSA-N 2 1 399.491 3.742 20 5 GHBDMP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c(Cl)c1 ZINC000574572390 858091975 /nfs/dbraw/zinc/09/19/75/858091975.db2.gz QVLBXCNYXZNXDF-OKILXGFUSA-N 2 1 375.856 3.940 20 5 GHBDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596153634 858793941 /nfs/dbraw/zinc/79/39/41/858793941.db2.gz UUBVLDQNYHOVBV-UHFFFAOYSA-N 2 1 380.558 3.597 20 5 GHBDMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccc([N+](=O)[O-])c3C)cc2)CC1 ZINC000160320347 858809653 /nfs/dbraw/zinc/80/96/53/858809653.db2.gz WPZFTNQPGPEVRU-LJQANCHMSA-N 2 1 396.535 3.892 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345203 881446874 /nfs/dbraw/zinc/44/68/74/881446874.db2.gz HXGFHEUOWJUBST-MJGOQNOKSA-N 2 1 375.513 3.875 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170345203 881446879 /nfs/dbraw/zinc/44/68/79/881446879.db2.gz HXGFHEUOWJUBST-MJGOQNOKSA-N 2 1 375.513 3.875 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764960783 859709575 /nfs/dbraw/zinc/70/95/75/859709575.db2.gz FJJANYUVKUICST-UHFFFAOYSA-N 2 1 381.480 3.794 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585371 881556977 /nfs/dbraw/zinc/55/69/77/881556977.db2.gz CSIIUGMQCQLRHL-UWJYYQICSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585371 881556994 /nfs/dbraw/zinc/55/69/94/881556994.db2.gz CSIIUGMQCQLRHL-UWJYYQICSA-N 2 1 398.507 3.964 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)ccn1 ZINC000856585371 881557004 /nfs/dbraw/zinc/55/70/04/881557004.db2.gz CSIIUGMQCQLRHL-UWJYYQICSA-N 2 1 398.507 3.964 20 5 GHBDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447544004 871817755 /nfs/dbraw/zinc/81/77/55/871817755.db2.gz UMOLUVVOOKELAR-RTWAWAEBSA-N 2 1 397.523 3.838 20 5 GHBDMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000460355512 872935056 /nfs/dbraw/zinc/93/50/56/872935056.db2.gz XNMRYWZFMPAQFG-OEWRPIJISA-N 2 1 383.492 3.720 20 5 GHBDMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)oc1C ZINC000449126301 874510909 /nfs/dbraw/zinc/51/09/09/874510909.db2.gz SYBZBKUXMSZLDI-HNNXBMFYSA-N 2 1 386.496 3.632 20 5 GHBDMP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492372331 876731268 /nfs/dbraw/zinc/73/12/68/876731268.db2.gz BRWCPQAZHNQQOE-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000492372331 876731271 /nfs/dbraw/zinc/73/12/71/876731271.db2.gz BRWCPQAZHNQQOE-UHFFFAOYSA-N 2 1 383.920 3.819 20 5 GHBDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237552479 880009945 /nfs/dbraw/zinc/00/99/45/880009945.db2.gz BHKKVGJCYYDVKD-KRWDZBQOSA-N 2 1 393.491 3.877 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000532467208 885615244 /nfs/dbraw/zinc/61/52/44/885615244.db2.gz RTCGHNFORIFUGY-ROUUACIJSA-N 2 1 383.492 3.975 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000532467208 885615255 /nfs/dbraw/zinc/61/52/55/885615255.db2.gz RTCGHNFORIFUGY-ROUUACIJSA-N 2 1 383.492 3.975 20 5 GHBDMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565431 887766294 /nfs/dbraw/zinc/76/62/94/887766294.db2.gz UWLNBNOUNBZMNN-YLJYHZDGSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565431 887766300 /nfs/dbraw/zinc/76/63/00/887766300.db2.gz UWLNBNOUNBZMNN-YLJYHZDGSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000564848231 895280211 /nfs/dbraw/zinc/28/02/11/895280211.db2.gz DQAYKNYQIHCHGZ-PKOBYXMFSA-N 2 1 396.491 3.566 20 5 GHBDMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000564848231 895280220 /nfs/dbraw/zinc/28/02/20/895280220.db2.gz DQAYKNYQIHCHGZ-PKOBYXMFSA-N 2 1 396.491 3.566 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913604 905983972 /nfs/dbraw/zinc/98/39/72/905983972.db2.gz SPVSCNCHVVJUKE-XPWALMASSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913604 905983986 /nfs/dbraw/zinc/98/39/86/905983986.db2.gz SPVSCNCHVVJUKE-XPWALMASSA-N 2 1 391.515 3.906 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1)CC2 ZINC001172913604 905983999 /nfs/dbraw/zinc/98/39/99/905983999.db2.gz SPVSCNCHVVJUKE-XPWALMASSA-N 2 1 391.515 3.906 20 5 GHBDMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001178972717 909339647 /nfs/dbraw/zinc/33/96/47/909339647.db2.gz YOHUJJJSHOHZKW-IFMALSPDSA-N 2 1 383.492 3.530 20 5 GHBDMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001178972717 909339663 /nfs/dbraw/zinc/33/96/63/909339663.db2.gz YOHUJJJSHOHZKW-IFMALSPDSA-N 2 1 383.492 3.530 20 5 GHBDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000303799995 915114250 /nfs/dbraw/zinc/11/42/50/915114250.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000303799995 915114255 /nfs/dbraw/zinc/11/42/55/915114255.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799995 915114261 /nfs/dbraw/zinc/11/42/61/915114261.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 2 1 383.492 3.959 20 5 GHBDMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2[N+](=O)[O-])CC[NH+]1Cc1ccccc1 ZINC000303799995 915114270 /nfs/dbraw/zinc/11/42/70/915114270.db2.gz WOYQJRUDRUPJIZ-UYAOXDASSA-N 2 1 383.492 3.959 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519639 918039480 /nfs/dbraw/zinc/03/94/80/918039480.db2.gz ADGASMHHUTWMLZ-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC001191519639 918039518 /nfs/dbraw/zinc/03/95/18/918039518.db2.gz ADGASMHHUTWMLZ-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC001191519639 918039531 /nfs/dbraw/zinc/03/95/31/918039531.db2.gz ADGASMHHUTWMLZ-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC001191519639 918039547 /nfs/dbraw/zinc/03/95/47/918039547.db2.gz ADGASMHHUTWMLZ-NFBKMPQASA-N 2 1 395.503 3.960 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000780769163 930594564 /nfs/dbraw/zinc/59/45/64/930594564.db2.gz YYMAPZKOYFKQSE-GZNCHQMQSA-N 2 1 397.523 3.804 20 5 GHBDMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531765 933316789 /nfs/dbraw/zinc/31/67/89/933316789.db2.gz LQFPDNIWBHPQCX-FXAWDEMLSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)C1 ZINC000560531765 933316803 /nfs/dbraw/zinc/31/68/03/933316803.db2.gz LQFPDNIWBHPQCX-FXAWDEMLSA-N 2 1 385.512 3.519 20 5 GHBDMP C[NH+](C)/C=C/c1cc(-n2c3ccccc3cc2[C@@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001166652786 1027048997 /nfs/dbraw/zinc/04/89/97/1027048997.db2.gz IORKTDVWRDVDLH-KAMXEHQASA-N 2 1 377.448 3.891 20 5 GHBDMP COc1ccc(C[C@@H](C)[NH2+]C2(c3cccc(F)c3)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001246435161 1037397298 /nfs/dbraw/zinc/39/72/98/1037397298.db2.gz FLRDIPJFMIKDIJ-OAHLLOKOSA-N 2 1 387.455 3.542 20 5 GHBDMP COc1ccc(C[C@@H](C)[N@H+]2CCCC[C@@]3(CCCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC001246601007 1037495231 /nfs/dbraw/zinc/49/52/31/1037495231.db2.gz FTLVCFPUGFIGSS-DYESRHJHSA-N 2 1 375.513 3.780 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCN(C)CC3)c2)cc1[N+](=O)[O-] ZINC001340527387 1059964182 /nfs/dbraw/zinc/96/41/82/1059964182.db2.gz MHJXOFAPKRXACQ-GOSISDBHSA-N 2 1 382.508 3.501 20 5 GHBDMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000261916973 839874137 /nfs/dbraw/zinc/87/41/37/839874137.db2.gz YGAQCUCIBYVXPF-JOCHJYFZSA-N 2 1 391.475 3.618 20 5 GHBDMP C[C@@H]([NH2+]Cc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1)C1C[NH2+]C1 ZINC000422915456 847887248 /nfs/dbraw/zinc/88/72/48/847887248.db2.gz YJCMFZGVLUPMOO-LLVKDONJSA-N 2 1 379.819 3.877 20 5 GHBDMP COc1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000573611144 856314484 /nfs/dbraw/zinc/31/44/84/856314484.db2.gz WNPQTEALCPAPBS-WOJBJXKFSA-N 2 1 381.476 3.557 20 5 GHBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000114197005 857935256 /nfs/dbraw/zinc/93/52/56/857935256.db2.gz DYMRQXPMMSGTLP-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000114197005 857935267 /nfs/dbraw/zinc/93/52/67/857935267.db2.gz DYMRQXPMMSGTLP-UHFFFAOYSA-N 2 1 387.484 3.589 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000595009204 858365221 /nfs/dbraw/zinc/36/52/21/858365221.db2.gz BCXLTILIYHQWSP-MJGOQNOKSA-N 2 1 383.492 3.819 20 5 GHBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000595009204 858365228 /nfs/dbraw/zinc/36/52/28/858365228.db2.gz BCXLTILIYHQWSP-MJGOQNOKSA-N 2 1 383.492 3.819 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](Cc2cccnc2)[C@H]2CC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170322387 881358064 /nfs/dbraw/zinc/35/80/64/881358064.db2.gz FNAJXJBYFGINMB-VDGAXYAQSA-N 2 1 398.507 3.702 20 5 GHBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000160571868 859028888 /nfs/dbraw/zinc/02/88/88/859028888.db2.gz SCOKZVZDVIKSIL-JOCHJYFZSA-N 2 1 395.503 3.538 20 5 GHBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)C1 ZINC000593314669 859380138 /nfs/dbraw/zinc/38/01/38/859380138.db2.gz DZSUCKQAYAFVIL-CBGDNZLLSA-N 2 1 385.464 3.573 20 5 GHBDMP Cc1c(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598331 881571436 /nfs/dbraw/zinc/57/14/36/881571436.db2.gz HOYMWNXTRPBPMC-OAQYLSRUSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1c(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598331 881571450 /nfs/dbraw/zinc/57/14/50/881571450.db2.gz HOYMWNXTRPBPMC-OAQYLSRUSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1c(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)cccc1[N+](=O)[O-] ZINC000856598331 881571462 /nfs/dbraw/zinc/57/14/62/881571462.db2.gz HOYMWNXTRPBPMC-OAQYLSRUSA-N 2 1 398.507 3.792 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183143256 866267562 /nfs/dbraw/zinc/26/75/62/866267562.db2.gz VVTPQYLINZNQMF-HNNXBMFYSA-N 2 1 393.447 3.687 20 5 GHBDMP COc1ccc(OCC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c([N+](=O)[O-])c1 ZINC000183678202 867199591 /nfs/dbraw/zinc/19/95/91/867199591.db2.gz STVYNOWSIJSNDI-OAHLLOKOSA-N 2 1 396.447 3.827 20 5 GHBDMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000475615115 867409990 /nfs/dbraw/zinc/40/99/90/867409990.db2.gz JBZSSLOXDAZKCU-UHFFFAOYSA-N 2 1 394.431 3.581 20 5 GHBDMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021991 871122890 /nfs/dbraw/zinc/12/28/90/871122890.db2.gz MBBJRYCPHMFYMG-UNNPPQAFSA-N 2 1 377.554 3.726 20 5 GHBDMP C[NH+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@H]21 ZINC001169021991 871122900 /nfs/dbraw/zinc/12/29/00/871122900.db2.gz MBBJRYCPHMFYMG-UNNPPQAFSA-N 2 1 377.554 3.726 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cc1F ZINC000447527457 871757527 /nfs/dbraw/zinc/75/75/27/871757527.db2.gz GBOIKGBVQJDHQZ-IEBWSBKVSA-N 2 1 398.442 3.698 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447543801 871813517 /nfs/dbraw/zinc/81/35/17/871813517.db2.gz MLLUDHDGFBPZKT-FCGDIQPGSA-N 2 1 377.533 3.623 20 5 GHBDMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447544002 871817232 /nfs/dbraw/zinc/81/72/32/871817232.db2.gz UMOLUVVOOKELAR-LEWJYISDSA-N 2 1 397.523 3.838 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000182782512 872768069 /nfs/dbraw/zinc/76/80/69/872768069.db2.gz HJCQZRZIARRZPF-KRWDZBQOSA-N 2 1 390.528 3.756 20 5 GHBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1 ZINC000853120661 878829113 /nfs/dbraw/zinc/82/91/13/878829113.db2.gz NWOZGNHTPQVNOT-UNMCSNQZSA-N 2 1 395.503 3.520 20 5 GHBDMP Cn1cc(C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000809738612 887772291 /nfs/dbraw/zinc/77/22/91/887772291.db2.gz BOHPUDYXGHRCOO-UHFFFAOYSA-N 2 1 393.491 3.689 20 5 GHBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000819323612 896567664 /nfs/dbraw/zinc/56/76/64/896567664.db2.gz NMSCPUDHDKTVLB-SIKLNZKXSA-N 2 1 383.492 3.520 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001172900673 905921862 /nfs/dbraw/zinc/92/18/62/905921862.db2.gz XTPNPUDRMZNOBM-UGKGYDQZSA-N 2 1 379.504 3.954 20 5 GHBDMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775059020 914886900 /nfs/dbraw/zinc/88/69/00/914886900.db2.gz GMGGHJHXKPANEP-UHFFFAOYSA-N 2 1 399.451 3.637 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902321773 922087301 /nfs/dbraw/zinc/08/73/01/922087301.db2.gz WZYGOCMBUADATG-GOSISDBHSA-N 2 1 379.407 3.842 20 5 GHBDMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000843054725 1029788446 /nfs/dbraw/zinc/78/84/46/1029788446.db2.gz DGIJMQPAEAUDMJ-UHFFFAOYSA-N 2 1 399.491 3.884 20 5 GHBDMP C[C@@H]1[C@H](C)SCC[N@H+]1CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001461961629 1069916812 /nfs/dbraw/zinc/91/68/12/1069916812.db2.gz SSLJHDQTHCWUGG-SJORKVTESA-N 2 1 377.554 3.675 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([N@@H+](Cc3ccccc3)C3CC[NH2+]CC3)CC2)cc1 ZINC001246911166 1037721966 /nfs/dbraw/zinc/72/19/66/1037721966.db2.gz AARGDNFOHWUMHF-UHFFFAOYSA-N 2 1 394.519 3.818 20 5 GHBDMP COc1ccc(CC[NH+]2CCC([NH2+][C@@H](C)Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC001254549732 1040317344 /nfs/dbraw/zinc/31/73/44/1040317344.db2.gz YFKYHAHTEICTDC-SFHVURJKSA-N 2 1 397.519 3.831 20 5 GHBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001254561837 1040334438 /nfs/dbraw/zinc/33/44/38/1040334438.db2.gz MIRNBCRAIPXNBC-AEFFLSMTSA-N 2 1 375.513 3.537 20 5 GHBDMP CCC[NH+](CCC)CCCN1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254567974 1040343701 /nfs/dbraw/zinc/34/37/01/1040343701.db2.gz DMLSSNDKJSEECO-FQEVSTJZSA-N 2 1 390.572 3.656 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001307459698 1049296502 /nfs/dbraw/zinc/29/65/02/1049296502.db2.gz ZRAKKKWWZJQVAM-HXUWFJFHSA-N 2 1 396.535 3.714 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC001307459698 1049296514 /nfs/dbraw/zinc/29/65/14/1049296514.db2.gz ZRAKKKWWZJQVAM-HXUWFJFHSA-N 2 1 396.535 3.714 20 5 GHBDMP C[C@@H](c1ccncc1)[N@@H+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308678742 1050056502 /nfs/dbraw/zinc/05/65/02/1050056502.db2.gz XSHBCBCZIDXJDB-SFHVURJKSA-N 2 1 382.508 3.937 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCSC[C@@H]3C3CC3)CC2)cc1 ZINC001308775171 1050089875 /nfs/dbraw/zinc/08/98/75/1050089875.db2.gz MKMKHDRPTXZWMT-OAQYLSRUSA-N 2 1 389.565 3.677 20 5 GHBDMP CCC1([NH+]2CCCCC2)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001460704047 1069102257 /nfs/dbraw/zinc/10/22/57/1069102257.db2.gz DECVYCMDYMZBBM-UHFFFAOYSA-N 2 1 388.512 3.654 20 5 GHBDMP COc1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000513500097 845554201 /nfs/dbraw/zinc/55/42/01/845554201.db2.gz KOHOHUPCSFOWPY-FXAWDEMLSA-N 2 1 383.492 3.994 20 5 GHBDMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000435433168 850491038 /nfs/dbraw/zinc/49/10/38/850491038.db2.gz QNOKTGIRNLGXDB-LJQANCHMSA-N 2 1 399.491 3.756 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000436287978 851421929 /nfs/dbraw/zinc/42/19/29/851421929.db2.gz DKEBMRHDZIOESR-GBESFXJTSA-N 2 1 375.517 3.662 20 5 GHBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443595317 859022651 /nfs/dbraw/zinc/02/26/51/859022651.db2.gz SOIYKNWCVCCCIL-QGZVFWFLSA-N 2 1 388.512 3.510 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881390912 /nfs/dbraw/zinc/39/09/12/881390912.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881390974 /nfs/dbraw/zinc/39/09/74/881390974.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 2 1 397.519 3.988 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001170352911 881391052 /nfs/dbraw/zinc/39/10/52/881391052.db2.gz UDTMFWLXPNTFIC-AZUAARDMSA-N 2 1 397.519 3.988 20 5 GHBDMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000727423069 860088602 /nfs/dbraw/zinc/08/86/02/860088602.db2.gz KWZVFXNYEOETNT-UHFFFAOYSA-N 2 1 393.491 3.746 20 5 GHBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000793206190 882031997 /nfs/dbraw/zinc/03/19/97/882031997.db2.gz CIWUYTRAGQVMNX-FQEVSTJZSA-N 2 1 394.519 3.675 20 5 GHBDMP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797459 870627035 /nfs/dbraw/zinc/62/70/35/870627035.db2.gz ITPIEJBNJWEOPC-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797459 870627039 /nfs/dbraw/zinc/62/70/39/870627039.db2.gz ITPIEJBNJWEOPC-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797459 870627048 /nfs/dbraw/zinc/62/70/48/870627048.db2.gz ITPIEJBNJWEOPC-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP COc1ccc(-c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)o2)c([N+](=O)[O-])c1 ZINC000538797459 870627057 /nfs/dbraw/zinc/62/70/57/870627057.db2.gz ITPIEJBNJWEOPC-HNAYVOBHSA-N 2 1 385.464 3.780 20 5 GHBDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC([NH2+]Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC001169057483 871142736 /nfs/dbraw/zinc/14/27/36/871142736.db2.gz VXXXPQHEZXLBDV-YJBOKZPZSA-N 2 1 385.430 3.705 20 5 GHBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cc1 ZINC000853120778 878828681 /nfs/dbraw/zinc/82/86/81/878828681.db2.gz QFWMMWYUEFYWSA-IRLDBZIGSA-N 2 1 395.503 3.520 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000774639805 912586877 /nfs/dbraw/zinc/58/68/77/912586877.db2.gz ZIERWCFKJWLQEM-UHFFFAOYSA-N 2 1 379.892 3.609 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504925 887597428 /nfs/dbraw/zinc/59/74/28/887597428.db2.gz HYNGRZIZTBBQRQ-YLJYHZDGSA-N 2 1 385.512 3.662 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272504925 887597436 /nfs/dbraw/zinc/59/74/36/887597436.db2.gz HYNGRZIZTBBQRQ-YLJYHZDGSA-N 2 1 385.512 3.662 20 5 GHBDMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000819446013 896679291 /nfs/dbraw/zinc/67/92/91/896679291.db2.gz WSCYKWYAGJNONJ-JOCHJYFZSA-N 2 1 398.507 3.518 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583330 921162145 /nfs/dbraw/zinc/16/21/45/921162145.db2.gz UBZRENVSUOCLAK-LEWJYISDSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583330 921162152 /nfs/dbraw/zinc/16/21/52/921162152.db2.gz UBZRENVSUOCLAK-LEWJYISDSA-N 2 1 383.492 3.519 20 5 GHBDMP Cc1ccc[nH+]c1N(C1CC[NH2+]CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913977 905984836 /nfs/dbraw/zinc/98/48/36/905984836.db2.gz WTJMIKVEMXOLQZ-LJQANCHMSA-N 2 1 380.492 3.804 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902321775 922086857 /nfs/dbraw/zinc/08/68/57/922086857.db2.gz WZYGOCMBUADATG-SFHVURJKSA-N 2 1 379.407 3.842 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925808752 931910397 /nfs/dbraw/zinc/91/03/97/931910397.db2.gz OUFRKBBUBPFCPE-FQEVSTJZSA-N 2 1 385.512 3.567 20 5 GHBDMP Cn1ccnc1[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000925806528 1017151378 /nfs/dbraw/zinc/15/13/78/1017151378.db2.gz FFXLVBZBMXJNTJ-FQEVSTJZSA-N 2 1 385.512 3.567 20 5 GHBDMP [NH3+]C[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@H]1O ZINC001206469510 1033858777 /nfs/dbraw/zinc/85/87/77/1033858777.db2.gz QNANQPZVBSENCF-RCDICMHDSA-N 2 1 384.483 3.707 20 5 GHBDMP [NH3+]C[C@H]1C[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C[C@@H]1O ZINC001206520199 1033888645 /nfs/dbraw/zinc/88/86/45/1033888645.db2.gz QNANQPZVBSENCF-FPTDNZKUSA-N 2 1 384.483 3.707 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)C2 ZINC001246952225 1037756105 /nfs/dbraw/zinc/75/61/05/1037756105.db2.gz JYBJKRVYZJMMSZ-HXUWFJFHSA-N 2 1 385.895 3.970 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+](Cc1ccccc1Cl)C1CC[NH2+]CC1)C2 ZINC001246952225 1037756128 /nfs/dbraw/zinc/75/61/28/1037756128.db2.gz JYBJKRVYZJMMSZ-HXUWFJFHSA-N 2 1 385.895 3.970 20 5 GHBDMP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235197733 1040687151 /nfs/dbraw/zinc/68/71/51/1040687151.db2.gz BWIGLGAUZWRPQJ-DEOSSOPVSA-N 2 1 376.500 3.574 20 5 GHBDMP c1ccc2c(c1)cc1ccccc1c2C[N@H+]1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001235197733 1040687156 /nfs/dbraw/zinc/68/71/56/1040687156.db2.gz BWIGLGAUZWRPQJ-DEOSSOPVSA-N 2 1 376.500 3.574 20 5 GHBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC001308906857 1050154848 /nfs/dbraw/zinc/15/48/48/1050154848.db2.gz WBYDCHGRDSYOGV-OXJNMPFZSA-N 2 1 388.512 3.699 20 5 GHBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001308906857 1050154854 /nfs/dbraw/zinc/15/48/54/1050154854.db2.gz WBYDCHGRDSYOGV-OXJNMPFZSA-N 2 1 388.512 3.699 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848485781 1057121899 /nfs/dbraw/zinc/12/18/99/1057121899.db2.gz WWZAFGPOQGKGJQ-UHFFFAOYSA-N 2 1 382.468 3.587 20 5 GHBDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848485781 1057121900 /nfs/dbraw/zinc/12/19/00/1057121900.db2.gz WWZAFGPOQGKGJQ-UHFFFAOYSA-N 2 1 382.468 3.587 20 5 GHBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326144767 1057422428 /nfs/dbraw/zinc/42/24/28/1057422428.db2.gz VGDBODFTNLMMMR-CPNJWEJPSA-N 2 1 394.519 3.535 20 5 GHBDMP COc1ccc(OCC[N@@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001460626537 1069039851 /nfs/dbraw/zinc/03/98/51/1069039851.db2.gz MYMRRBJOXDXVKA-GOSISDBHSA-N 2 1 391.512 3.569 20 5 GHBDMP COc1ccc(OCC[N@H+]2CCC[C@@H]2CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001460626537 1069039865 /nfs/dbraw/zinc/03/98/65/1069039865.db2.gz MYMRRBJOXDXVKA-GOSISDBHSA-N 2 1 391.512 3.569 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCCC[C@@H]3c3cc[nH]n3)CC2)cc1 ZINC001474516179 1074443818 /nfs/dbraw/zinc/44/38/18/1074443818.db2.gz AKFHZKGBULYXIN-JOCHJYFZSA-N 2 1 397.523 3.800 20 5 GHBDMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)CC1 ZINC000180110861 837392080 /nfs/dbraw/zinc/39/20/80/837392080.db2.gz PBPKUURAAKSDTA-QHCPKHFHSA-N 2 1 396.535 3.692 20 5 GHBDMP Cn1cc(C[NH2+]CCC[N@@H+](C)Cc2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237086315 844503369 /nfs/dbraw/zinc/50/33/69/844503369.db2.gz PDNJBWMUFAUTHY-UHFFFAOYSA-N 2 1 393.491 3.607 20 5 GHBDMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1[N+](=O)[O-] ZINC000126687896 841842226 /nfs/dbraw/zinc/84/22/26/841842226.db2.gz BLGBJJVAPLLNBO-GOSISDBHSA-N 2 1 382.508 3.501 20 5 GHBDMP CC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)CC1 ZINC000236920113 843074043 /nfs/dbraw/zinc/07/40/43/843074043.db2.gz GJPDYEMKHHUZRI-UHFFFAOYSA-N 2 1 399.491 3.756 20 5 GHBDMP Cc1c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000430934302 843198592 /nfs/dbraw/zinc/19/85/92/843198592.db2.gz LPWAMUREHGDDOT-UHFFFAOYSA-N 2 1 388.556 3.531 20 5 GHBDMP O=[N+]([O-])c1cccc(OCC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000432668837 843381912 /nfs/dbraw/zinc/38/19/12/843381912.db2.gz KVLSAHRYWHOCMH-LJQANCHMSA-N 2 1 387.505 3.679 20 5 GHBDMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599661268 861492332 /nfs/dbraw/zinc/49/23/32/861492332.db2.gz RRILWNIILQNSFL-INIZCTEOSA-N 2 1 384.480 3.506 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599661268 861492341 /nfs/dbraw/zinc/49/23/41/861492341.db2.gz RRILWNIILQNSFL-INIZCTEOSA-N 2 1 384.480 3.506 20 5 GHBDMP Cc1cc(N2CCC([NH2+][C@H](Cc3ccccc3[N+](=O)[O-])C3CC3)CC2)nc(C)[nH+]1 ZINC000162227609 861516967 /nfs/dbraw/zinc/51/69/67/861516967.db2.gz GTVGLZWXSYHEMC-HXUWFJFHSA-N 2 1 395.507 3.581 20 5 GHBDMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591743002 856236819 /nfs/dbraw/zinc/23/68/19/856236819.db2.gz RSVRKMLJWSGRLK-QGZVFWFLSA-N 2 1 396.491 3.739 20 5 GHBDMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934334 857795137 /nfs/dbraw/zinc/79/51/37/857795137.db2.gz HRHOPULBMGMHIF-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934334 857795144 /nfs/dbraw/zinc/79/51/44/857795144.db2.gz HRHOPULBMGMHIF-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000113934334 857795149 /nfs/dbraw/zinc/79/51/49/857795149.db2.gz HRHOPULBMGMHIF-ZWKOTPCHSA-N 2 1 388.512 3.510 20 5 GHBDMP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000611254621 859667519 /nfs/dbraw/zinc/66/75/19/859667519.db2.gz PWLPSYILZJSPEA-UHFFFAOYSA-N 2 1 391.512 3.700 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555378317 866030066 /nfs/dbraw/zinc/03/00/66/866030066.db2.gz LNNYJGRUKAPEGZ-MRXNPFEDSA-N 2 1 389.418 3.546 20 5 GHBDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000555378317 866030082 /nfs/dbraw/zinc/03/00/82/866030082.db2.gz LNNYJGRUKAPEGZ-MRXNPFEDSA-N 2 1 389.418 3.546 20 5 GHBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000447562469 871868580 /nfs/dbraw/zinc/86/85/80/871868580.db2.gz LSRDMOHHQBOVOU-LEWJYISDSA-N 2 1 397.523 3.572 20 5 GHBDMP CC[N@H+](CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)CC1CC1 ZINC000444690218 871921083 /nfs/dbraw/zinc/92/10/83/871921083.db2.gz ROJKZMAQRFKPBD-UHFFFAOYSA-N 2 1 385.512 3.805 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)CC1CC1 ZINC000444690218 871921086 /nfs/dbraw/zinc/92/10/86/871921086.db2.gz ROJKZMAQRFKPBD-UHFFFAOYSA-N 2 1 385.512 3.805 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1)CC1CC1 ZINC000492937312 877808334 /nfs/dbraw/zinc/80/83/34/877808334.db2.gz RHFFNUUOMVPXMU-UHFFFAOYSA-N 2 1 375.513 3.937 20 5 GHBDMP Cc1c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000532498306 885871813 /nfs/dbraw/zinc/87/18/13/885871813.db2.gz YMNZZDLWMAWORB-WIYYLYMNSA-N 2 1 382.508 3.543 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000763219519 888350818 /nfs/dbraw/zinc/35/08/18/888350818.db2.gz ZPFQYMHJOMOMBU-QGZVFWFLSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000763219519 888350831 /nfs/dbraw/zinc/35/08/31/888350831.db2.gz ZPFQYMHJOMOMBU-QGZVFWFLSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000763219519 888350845 /nfs/dbraw/zinc/35/08/45/888350845.db2.gz ZPFQYMHJOMOMBU-QGZVFWFLSA-N 2 1 385.512 3.879 20 5 GHBDMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872032903 891127712 /nfs/dbraw/zinc/12/77/12/891127712.db2.gz BTZLRYDBQSNIBQ-OAHLLOKOSA-N 2 1 387.455 3.541 20 5 GHBDMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000182227871 907161561 /nfs/dbraw/zinc/16/15/61/907161561.db2.gz KJDPDVZSPSZENT-YLJYHZDGSA-N 2 1 383.492 3.711 20 5 GHBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC001177299266 908501752 /nfs/dbraw/zinc/50/17/52/908501752.db2.gz MXXATQSZSMNANE-AWEZNQCLSA-N 2 1 384.318 3.959 20 5 GHBDMP Cn1ccnc1[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000560531538 933316563 /nfs/dbraw/zinc/31/65/63/933316563.db2.gz ZXVHOHSCNOICSL-HXUWFJFHSA-N 2 1 385.512 3.664 20 5 GHBDMP C[NH+](C)/C=C/c1cc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001156528912 1033085716 /nfs/dbraw/zinc/08/57/16/1033085716.db2.gz FBUIANWBXPUKIM-QHSLDKKCSA-N 2 1 381.480 3.771 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232301 1069454684 /nfs/dbraw/zinc/45/46/84/1069454684.db2.gz OGMCGTIYQIBDJD-HNAYVOBHSA-N 2 1 375.494 3.838 20 5 GHBDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cc1[N+](=O)[O-] ZINC001461232301 1069454686 /nfs/dbraw/zinc/45/46/86/1069454686.db2.gz OGMCGTIYQIBDJD-HNAYVOBHSA-N 2 1 375.494 3.838 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001219211142 1031306690 /nfs/dbraw/zinc/30/66/90/1031306690.db2.gz WOAYDEIIBBNSSF-LDLYASANSA-N 2 1 388.515 3.947 20 5 GHBDMP C[NH+](C)/C=C/c1cc(N(CC(C)(C)C)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161680060 1035284051 /nfs/dbraw/zinc/28/40/51/1035284051.db2.gz BFRZNCJESNGVER-DFUYTMATSA-N 2 1 375.517 3.645 20 5 GHBDMP COc1ccc2c(c1)C1(CC[NH2+]CC1)[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC001246632195 1037518343 /nfs/dbraw/zinc/51/83/43/1037518343.db2.gz UVZRGJAUHNMDBV-QGZVFWFLSA-N 2 1 395.503 3.671 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588499 1040362878 /nfs/dbraw/zinc/36/28/78/1040362878.db2.gz ZVSGXQAJOSJFSI-RBBKRZOGSA-N 2 1 379.504 3.952 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588499 1040362889 /nfs/dbraw/zinc/36/28/89/1040362889.db2.gz ZVSGXQAJOSJFSI-RBBKRZOGSA-N 2 1 379.504 3.952 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]2C1 ZINC001343333161 1053709445 /nfs/dbraw/zinc/70/94/45/1053709445.db2.gz NJODLJMBEHIFEH-QJPTWQEYSA-N 2 1 388.331 3.581 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)c([N+](=O)[O-])s3)C[C@H]2C1 ZINC001343333161 1053709463 /nfs/dbraw/zinc/70/94/63/1053709463.db2.gz NJODLJMBEHIFEH-QJPTWQEYSA-N 2 1 388.331 3.581 20 5 GHBDMP C[N@@H+](CCOC(C)(C)C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001474314162 1074336644 /nfs/dbraw/zinc/33/66/44/1074336644.db2.gz LKMSMVSBGWSJOH-UHFFFAOYSA-N 2 1 377.529 3.596 20 5 GHBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388237 835669192 /nfs/dbraw/zinc/66/91/92/835669192.db2.gz AMLRRYVFUBMAER-UHFFFAOYSA-N 2 1 384.480 3.737 20 5 GHBDMP CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC[NH2+]CC1 ZINC000414949347 852824638 /nfs/dbraw/zinc/82/46/38/852824638.db2.gz ZYQCZFCMMLNNIR-UHFFFAOYSA-N 2 1 394.269 3.849 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327427 857349188 /nfs/dbraw/zinc/34/91/88/857349188.db2.gz HRHOPULBMGMHIF-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327427 857349192 /nfs/dbraw/zinc/34/91/92/857349192.db2.gz HRHOPULBMGMHIF-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000246327427 857349197 /nfs/dbraw/zinc/34/91/97/857349197.db2.gz HRHOPULBMGMHIF-MSOLQXFVSA-N 2 1 388.512 3.510 20 5 GHBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CCCC2 ZINC000595066105 858369382 /nfs/dbraw/zinc/36/93/82/858369382.db2.gz BYGIPOOQYQWPQF-JTHBVZDNSA-N 2 1 395.503 3.719 20 5 GHBDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552961 881379257 /nfs/dbraw/zinc/37/92/57/881379257.db2.gz IZWMEJULVIYVLB-PVHVJQTOSA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552961 881379276 /nfs/dbraw/zinc/37/92/76/881379276.db2.gz IZWMEJULVIYVLB-PVHVJQTOSA-N 2 1 396.491 3.608 20 5 GHBDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)ccn1 ZINC000856552961 881379296 /nfs/dbraw/zinc/37/92/96/881379296.db2.gz IZWMEJULVIYVLB-PVHVJQTOSA-N 2 1 396.491 3.608 20 5 GHBDMP COc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881452716 /nfs/dbraw/zinc/45/27/16/881452716.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 2 1 395.503 3.598 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881452722 /nfs/dbraw/zinc/45/27/22/881452722.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 2 1 395.503 3.598 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881452731 /nfs/dbraw/zinc/45/27/31/881452731.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 2 1 395.503 3.598 20 5 GHBDMP COc1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170344553 881452846 /nfs/dbraw/zinc/45/28/46/881452846.db2.gz BXVUMZFHYYKKOU-DZFGPLHGSA-N 2 1 395.503 3.598 20 5 GHBDMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919994 863372104 /nfs/dbraw/zinc/37/21/04/863372104.db2.gz CUGRZIFFSFUPEO-VQIMIIECSA-N 2 1 391.475 3.759 20 5 GHBDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000593919994 863372120 /nfs/dbraw/zinc/37/21/20/863372120.db2.gz CUGRZIFFSFUPEO-VQIMIIECSA-N 2 1 391.475 3.759 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138779 866266959 /nfs/dbraw/zinc/26/69/59/866266959.db2.gz IMKNYXCBLYZSTE-GJZGRUSLSA-N 2 1 393.447 3.767 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898048 869987828 /nfs/dbraw/zinc/98/78/28/869987828.db2.gz JEKOLHAHMRSVCC-YFVAEKQCSA-N 2 1 385.464 3.538 20 5 GHBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000539898048 869987840 /nfs/dbraw/zinc/98/78/40/869987840.db2.gz JEKOLHAHMRSVCC-YFVAEKQCSA-N 2 1 385.464 3.538 20 5 GHBDMP Cc1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461954531 871338512 /nfs/dbraw/zinc/33/85/12/871338512.db2.gz JGMHJNZWKBASFD-UHFFFAOYSA-N 2 1 392.519 3.675 20 5 GHBDMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000542013961 874767861 /nfs/dbraw/zinc/76/78/61/874767861.db2.gz QPYNRTZFMDCGJR-QGZVFWFLSA-N 2 1 390.528 3.756 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000776276909 876146842 /nfs/dbraw/zinc/14/68/42/876146842.db2.gz LRYDQGKGTQHSKT-HTAPYJJXSA-N 2 1 383.492 3.650 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532441954 885453717 /nfs/dbraw/zinc/45/37/17/885453717.db2.gz OIAKPBDYVBSFFG-APWZRJJASA-N 2 1 388.537 3.604 20 5 GHBDMP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565421 887773073 /nfs/dbraw/zinc/77/30/73/887773073.db2.gz UWLNBNOUNBZMNN-FXAWDEMLSA-N 2 1 385.512 3.519 20 5 GHBDMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000272565421 887773088 /nfs/dbraw/zinc/77/30/88/887773088.db2.gz UWLNBNOUNBZMNN-FXAWDEMLSA-N 2 1 385.512 3.519 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583331 921161861 /nfs/dbraw/zinc/16/18/61/921161861.db2.gz UBZRENVSUOCLAK-NHCUHLMSSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801583331 921161867 /nfs/dbraw/zinc/16/18/67/921161867.db2.gz UBZRENVSUOCLAK-NHCUHLMSSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583512 921161945 /nfs/dbraw/zinc/16/19/45/921161945.db2.gz ZIOLQBOVFSVEGL-RTWAWAEBSA-N 2 1 383.492 3.519 20 5 GHBDMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801583512 921161947 /nfs/dbraw/zinc/16/19/47/921161947.db2.gz ZIOLQBOVFSVEGL-RTWAWAEBSA-N 2 1 383.492 3.519 20 5 GHBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+](CC2CC2)[C@H]2CC[C@H]([NH3+])CC2)c1F ZINC001173181204 906259442 /nfs/dbraw/zinc/25/94/42/906259442.db2.gz OELPPDYTHDKWEM-FVQBIDKESA-N 2 1 379.476 3.655 20 5 GHBDMP C[C@@H](CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001179266114 909445597 /nfs/dbraw/zinc/44/55/97/909445597.db2.gz JFTBMVFSWIDWDU-KRWDZBQOSA-N 2 1 393.491 3.877 20 5 GHBDMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000749678435 927231512 /nfs/dbraw/zinc/23/15/12/927231512.db2.gz SAAKJXCASKGTBY-JTSKRJEESA-N 2 1 383.492 3.792 20 5 GHBDMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC000749678406 927231895 /nfs/dbraw/zinc/23/18/95/927231895.db2.gz RTBOJLFJQNWLNA-IXFSTUDKSA-N 2 1 397.519 3.896 20 5 GHBDMP CC[NH+](CC)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC001116652208 933684647 /nfs/dbraw/zinc/68/46/47/933684647.db2.gz WHCAMBKDHPTVRL-UHFFFAOYSA-N 2 1 384.318 3.911 20 5 GHBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000468597607 1015833512 /nfs/dbraw/zinc/83/35/12/1015833512.db2.gz DTADXDVGZJAGNL-QRKROWPFSA-N 2 1 395.503 3.745 20 5 GHBDMP O[C@H]1C[NH2+]CC[N@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400002 1027490883 /nfs/dbraw/zinc/49/08/83/1027490883.db2.gz OXSRVYONFJDQPV-HNNXBMFYSA-N 2 1 384.483 3.722 20 5 GHBDMP O[C@H]1C[NH2+]CC[N@@H+](Cc2c3[nH]c4ccccc4c3cc3[nH]c4ccccc4c32)C1 ZINC001210400002 1027490892 /nfs/dbraw/zinc/49/08/92/1027490892.db2.gz OXSRVYONFJDQPV-HNNXBMFYSA-N 2 1 384.483 3.722 20 5 GHBDMP C[C@H]1SCC[N@@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)[C@H]1C ZINC001461961621 1069916687 /nfs/dbraw/zinc/91/66/87/1069916687.db2.gz SSLJHDQTHCWUGG-DLBZAZTESA-N 2 1 377.554 3.675 20 5 GHBDMP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254543297 1040311668 /nfs/dbraw/zinc/31/16/68/1040311668.db2.gz DVZGLOUUOFGREC-KRWDZBQOSA-N 2 1 383.492 3.570 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(CNc3ccc4c([nH+]3)CCC4)CC2)cc1 ZINC001308770148 1050088614 /nfs/dbraw/zinc/08/86/14/1050088614.db2.gz OFRDTFLUPQWIJH-UHFFFAOYSA-N 2 1 380.492 3.845 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCCC[C@H]3c3cc[nH]n3)CC2)cc1 ZINC001474516180 1074443853 /nfs/dbraw/zinc/44/38/53/1074443853.db2.gz AKFHZKGBULYXIN-QFIPXVFZSA-N 2 1 397.523 3.800 20 5 GHBDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475980 840814489 /nfs/dbraw/zinc/81/44/89/840814489.db2.gz RKXLCIRLLZOIRN-KKSFZXQISA-N 2 1 381.476 3.593 20 5 GHBDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])c2)CCO1 ZINC000566475980 840814496 /nfs/dbraw/zinc/81/44/96/840814496.db2.gz RKXLCIRLLZOIRN-KKSFZXQISA-N 2 1 381.476 3.593 20 5 GHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413944 842423342 /nfs/dbraw/zinc/42/33/42/842423342.db2.gz PDKUGWQGHPGHDT-IAGOWNOFSA-N 2 1 381.542 3.556 20 5 GHBDMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599660936 861493306 /nfs/dbraw/zinc/49/33/06/861493306.db2.gz QNKFLEUONRXRTL-MRXNPFEDSA-N 2 1 384.480 3.506 20 5 GHBDMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000433153641 845524111 /nfs/dbraw/zinc/52/41/11/845524111.db2.gz XABONCBNDRDPFH-JOCHJYFZSA-N 2 1 395.503 3.939 20 5 GHBDMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000414948680 852808270 /nfs/dbraw/zinc/80/82/70/852808270.db2.gz YNZCBOKNNQZXHZ-ZBEGNZNMSA-N 2 1 394.269 3.705 20 5 GHBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000134144713 856261155 /nfs/dbraw/zinc/26/11/55/856261155.db2.gz VCBMBYIYDGTRTO-UHFFFAOYSA-N 2 1 399.539 3.939 20 5 GHBDMP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000486031279 857343455 /nfs/dbraw/zinc/34/34/55/857343455.db2.gz SSKNASJMMBOWTP-JTSKRJEESA-N 2 1 391.475 3.976 20 5 GHBDMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000183138754 866267666 /nfs/dbraw/zinc/26/76/66/866267666.db2.gz IMKNYXCBLYZSTE-CABCVRRESA-N 2 1 393.447 3.767 20 5 GHBDMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000442925683 869095616 /nfs/dbraw/zinc/09/56/16/869095616.db2.gz WDRBCVOQYSCMLD-KRWDZBQOSA-N 2 1 399.491 3.743 20 5 GHBDMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000447529831 871762783 /nfs/dbraw/zinc/76/27/83/871762783.db2.gz LCBHDMGDPJOSMH-RLLQIKCJSA-N 2 1 385.512 3.775 20 5 GHBDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237501773 872880381 /nfs/dbraw/zinc/88/03/81/872880381.db2.gz LIEJVFAHQJURTI-KRWDZBQOSA-N 2 1 385.512 3.740 20 5 GHBDMP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768106092 873084392 /nfs/dbraw/zinc/08/43/92/873084392.db2.gz RHVUEKSKTMZSLJ-AEFFLSMTSA-N 2 1 393.553 3.699 20 5 GHBDMP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000531965828 880832522 /nfs/dbraw/zinc/83/25/22/880832522.db2.gz GEXNSNZBDCWHQS-XMSQKQJNSA-N 2 1 382.508 3.543 20 5 GHBDMP CC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000532480989 885800077 /nfs/dbraw/zinc/80/00/77/885800077.db2.gz LEZSOKHWIAXERK-VXKWHMMOSA-N 2 1 382.508 3.624 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684251 /nfs/dbraw/zinc/68/42/51/895684251.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684257 /nfs/dbraw/zinc/68/42/57/895684257.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684260 /nfs/dbraw/zinc/68/42/60/895684260.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOc3ccccc3[N+](=O)[O-])C2)s1 ZINC000565507031 895684263 /nfs/dbraw/zinc/68/42/63/895684263.db2.gz CGZZALGBCOIZAD-KRWDZBQOSA-N 2 1 389.521 3.797 20 5 GHBDMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818959278 896297976 /nfs/dbraw/zinc/29/79/76/896297976.db2.gz HIPZAFXJMRSWGT-JTSKRJEESA-N 2 1 383.492 3.650 20 5 GHBDMP COc1ccccc1C1([NH3+])CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172902687 905924610 /nfs/dbraw/zinc/92/46/10/905924610.db2.gz BKUBIRHVFRXDBY-IBGZPJMESA-N 2 1 395.503 3.801 20 5 GHBDMP CC(C)[N@H+](C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173011336 906088188 /nfs/dbraw/zinc/08/81/88/906088188.db2.gz AEGLATRMGJFMQR-SHTZXODSSA-N 2 1 396.482 3.822 20 5 GHBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012101 906090363 /nfs/dbraw/zinc/09/03/63/906090363.db2.gz NWFRQAPXLYTABY-OAHLLOKOSA-N 2 1 396.482 3.696 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318751 /nfs/dbraw/zinc/31/87/51/906318751.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318767 /nfs/dbraw/zinc/31/87/67/906318767.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001173233279 906318783 /nfs/dbraw/zinc/31/87/83/906318783.db2.gz VDMFDSXPARMPBE-QIJUGHKUSA-N 2 1 379.504 3.980 20 5 GHBDMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1)CC(C)C ZINC000773736244 908970245 /nfs/dbraw/zinc/97/02/45/908970245.db2.gz VISWIOJNFQSFCT-NRFANRHFSA-N 2 1 377.529 3.708 20 5 GHBDMP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000841075336 1028094111 /nfs/dbraw/zinc/09/41/11/1028094111.db2.gz ONCVFHOUSDDPJL-DOTOQJQBSA-N 2 1 377.847 3.870 20 5 GHBDMP O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1Br ZINC000843127008 1029817786 /nfs/dbraw/zinc/81/77/86/1029817786.db2.gz NVOORRHTPRWNJW-LSDHHAIUSA-N 2 1 382.302 3.569 20 5 GHBDMP Cc1cc2cc3ccc(N(C)C)cc3[nH+]c2cc1NC(=O)[C@@H]1CC[NH2+]C[C@H]1F ZINC001219210649 1031306782 /nfs/dbraw/zinc/30/67/82/1031306782.db2.gz IRQIBNYRIBXGDJ-QZTJIDSGSA-N 2 1 380.467 3.649 20 5 GHBDMP COc1ccc(C[C@H](C)[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCCC2)c([N+](=O)[O-])c1 ZINC001246936755 1037742993 /nfs/dbraw/zinc/74/29/93/1037742993.db2.gz JNIKNDPZRPLXAV-DLBZAZTESA-N 2 1 375.513 3.779 20 5 GHBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001254561840 1040334407 /nfs/dbraw/zinc/33/44/07/1040334407.db2.gz MIRNBCRAIPXNBC-WMZOPIPTSA-N 2 1 375.513 3.537 20 5 GHBDMP COc1ccccc1C[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254586961 1040361362 /nfs/dbraw/zinc/36/13/62/1040361362.db2.gz NNZVGNDERGIKMS-ONTIZHBOSA-N 2 1 395.503 3.843 20 5 GHBDMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@@H+](Cc2ccc4ccc5cccnc5c4n2)C3)cc1 ZINC001236008747 1041499830 /nfs/dbraw/zinc/49/98/30/1041499830.db2.gz GRBUGJJJYYIJBX-BWKNWUBXSA-N 2 1 380.495 3.756 20 5 GHBDMP c1ccc([C@@]23C[NH2+]C[C@@H]2C[N@H+](Cc2ccc4ccc5cccnc5c4n2)C3)cc1 ZINC001236008747 1041499841 /nfs/dbraw/zinc/49/98/41/1041499841.db2.gz GRBUGJJJYYIJBX-BWKNWUBXSA-N 2 1 380.495 3.756 20 5 GHBDMP CCOC(=O)[C@H]1C[N@@H+](Cc2c3ccccc3cc3ccccc32)CCC12C[NH2+]C2 ZINC001237428732 1042204387 /nfs/dbraw/zinc/20/43/87/1042204387.db2.gz CKGXEPKGIOILLF-HSZRJFAPSA-N 2 1 388.511 3.968 20 5 GHBDMP COc1ccc(-c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)o2)c([N+](=O)[O-])c1 ZINC001332358708 1051505707 /nfs/dbraw/zinc/50/57/07/1051505707.db2.gz KMWCXNPNDXRQPL-UHFFFAOYSA-N 2 1 385.464 3.829 20 5 GHBDMP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCc4ccsc4C3)CC2)cc1 ZINC001474734630 1055029422 /nfs/dbraw/zinc/02/94/22/1055029422.db2.gz AULDKSRPRVJDSR-UHFFFAOYSA-N 2 1 385.533 3.969 20 5 GHBDMP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001473121745 1073790354 /nfs/dbraw/zinc/79/03/54/1073790354.db2.gz HFNUPYXYEAADHV-UHFFFAOYSA-N 2 1 383.492 3.838 20 5 GHBDMP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC001473121745 1073790362 /nfs/dbraw/zinc/79/03/62/1073790362.db2.gz HFNUPYXYEAADHV-UHFFFAOYSA-N 2 1 383.492 3.838 20 5 GHBDMP COC1CCC([N@@H+](C)CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001474375782 1074372065 /nfs/dbraw/zinc/37/20/65/1074372065.db2.gz FSAZNZWWKMAITO-UHFFFAOYSA-N 2 1 389.540 3.739 20 5 GHBDMP