smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348088 784977554 /nfs/dbraw/zinc/97/75/54/784977554.db2.gz QDVKIWPZJVQKBA-HYVNUMGLSA-N 2 0 364.446 1.236 20 5 FDBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472597234 787893628 /nfs/dbraw/zinc/89/36/28/787893628.db2.gz BPBLFEPGAVCGLG-SJORKVTESA-N 2 0 364.494 1.891 20 5 FDBDRP COCC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414978798 817842522 /nfs/dbraw/zinc/84/25/22/817842522.db2.gz TYJZFCUXPMJCIT-CQSZACIVSA-N 2 0 364.446 1.918 20 5 FDBDRP COc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000518375947 817855705 /nfs/dbraw/zinc/85/57/05/817855705.db2.gz KVQBTDPCSOKEFV-AWEZNQCLSA-N 2 0 365.430 1.670 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1C[NH+](C)C ZINC000866011727 974620388 /nfs/dbraw/zinc/62/03/88/974620388.db2.gz JQTQHWRGLGGXER-ZIAGYGMSSA-N 2 0 358.446 1.714 20 5 FDBDRP COc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000866012162 974620600 /nfs/dbraw/zinc/62/06/00/974620600.db2.gz SBDILBKYXIBKRJ-CHWSQXEVSA-N 2 0 354.426 1.918 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)c1 ZINC000877089781 993041793 /nfs/dbraw/zinc/04/17/93/993041793.db2.gz POFMOCHZLKKBRA-NANBGGJNSA-N 2 0 363.462 1.852 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184135441 536102493 /nfs/dbraw/zinc/10/24/93/536102493.db2.gz YOXLEWVVFVBCFY-CYBMUJFWSA-N 2 0 364.450 1.060 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263708544 537074456 /nfs/dbraw/zinc/07/44/56/537074456.db2.gz QAPRFRFJRQBORR-CYBMUJFWSA-N 2 0 352.439 1.114 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245427484 537657631 /nfs/dbraw/zinc/65/76/31/537657631.db2.gz MBEOQDAIQRWFKC-KYJSFNMBSA-N 2 0 351.447 1.997 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414805194 537916655 /nfs/dbraw/zinc/91/66/55/537916655.db2.gz PIDYIRLFVZEVAC-UONOGXRCSA-N 2 0 351.403 1.754 20 5 FDBDRP [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424018454 538212664 /nfs/dbraw/zinc/21/26/64/538212664.db2.gz ISPHNPLEAJNRDI-UHFFFAOYSA-N 2 0 358.402 1.041 20 5 FDBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344150 538270450 /nfs/dbraw/zinc/27/04/50/538270450.db2.gz SEXROICFJTWMIE-OKILXGFUSA-N 2 0 360.414 1.824 20 5 FDBDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080533 547591529 /nfs/dbraw/zinc/59/15/29/547591529.db2.gz QAUWDNJORVEDJM-IRXDYDNUSA-N 2 0 364.494 1.892 20 5 FDBDRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430594720 681084883 /nfs/dbraw/zinc/08/48/83/681084883.db2.gz LIGBWAHFZSBALH-UHFFFAOYSA-N 2 0 350.419 1.753 20 5 FDBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430633243 681088023 /nfs/dbraw/zinc/08/80/23/681088023.db2.gz BQUDTDBNZXLYJR-ZDUSSCGKSA-N 2 0 350.419 1.863 20 5 FDBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000436059336 681660660 /nfs/dbraw/zinc/66/06/60/681660660.db2.gz ATMXSXXUQBGTLY-OAHLLOKOSA-N 2 0 350.419 1.293 20 5 FDBDRP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065979 682226123 /nfs/dbraw/zinc/22/61/23/682226123.db2.gz DCGAAKZBEOOREC-QWHCGFSZSA-N 2 0 350.419 1.991 20 5 FDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](CCO)CC2)n1 ZINC000447526634 682554095 /nfs/dbraw/zinc/55/40/95/682554095.db2.gz DJWRUKXRUCQXQP-HZPDHXFCSA-N 2 0 351.451 1.569 20 5 FDBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000531976391 694858460 /nfs/dbraw/zinc/85/84/60/694858460.db2.gz QHIQOSYGROHQOW-CYBMUJFWSA-N 2 0 350.419 1.358 20 5 FDBDRP C[N@@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000574072283 694912114 /nfs/dbraw/zinc/91/21/14/694912114.db2.gz UAKPERSOAUFPKA-CQSZACIVSA-N 2 0 355.460 1.690 20 5 FDBDRP COC(=O)COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000430908563 779515813 /nfs/dbraw/zinc/51/58/13/779515813.db2.gz WINBSTZRYZOMMS-UHFFFAOYSA-N 2 0 363.414 1.722 20 5 FDBDRP COC(=O)COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000475712219 831871474 /nfs/dbraw/zinc/87/14/74/831871474.db2.gz AGOZPVCKNZMFCR-UHFFFAOYSA-N 2 0 365.430 1.920 20 5 FDBDRP [NH3+]CCc1nc(-c2ccccc2)nn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168714963 873990745 /nfs/dbraw/zinc/99/07/45/873990745.db2.gz OEQBQDPCJUHSMX-UHFFFAOYSA-N 2 0 350.382 1.947 20 5 FDBDRP CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000470011433 879370714 /nfs/dbraw/zinc/37/07/14/879370714.db2.gz KVGOYJRMGBCSPU-UHFFFAOYSA-N 2 0 358.398 1.718 20 5 FDBDRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022795 928246118 /nfs/dbraw/zinc/24/61/18/928246118.db2.gz SRKYAVAVSQTFOO-OKZBNKHCSA-N 2 0 355.479 1.493 20 5 FDBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186437 961956203 /nfs/dbraw/zinc/95/62/03/961956203.db2.gz RVWYGFGRUQZRGG-AAEUAGOBSA-N 2 0 370.425 1.507 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190784263 178022878 /nfs/dbraw/zinc/02/28/78/178022878.db2.gz PARYFWXMAXGWBG-OAHLLOKOSA-N 2 0 363.462 1.665 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000368351400 260170738 /nfs/dbraw/zinc/17/07/38/260170738.db2.gz GAHRPCPCATYTLX-GOSISDBHSA-N 2 0 362.430 1.960 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373795336 261041481 /nfs/dbraw/zinc/04/14/81/261041481.db2.gz NGOGMKZRBPHTLP-CYBMUJFWSA-N 2 0 362.430 1.502 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121592191 524302301 /nfs/dbraw/zinc/30/23/01/524302301.db2.gz FIUPKFSDXMNSAV-SFHVURJKSA-N 2 0 365.478 1.740 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000101518424 525223116 /nfs/dbraw/zinc/22/31/16/525223116.db2.gz DAOVUHSMXJWDTK-AWEZNQCLSA-N 2 0 366.466 1.125 20 5 FDBDRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000282266689 537294126 /nfs/dbraw/zinc/29/41/26/537294126.db2.gz HLDXJOSMOQAZJI-UHFFFAOYSA-N 2 0 366.462 1.728 20 5 FDBDRP Cc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000414483634 537821181 /nfs/dbraw/zinc/82/11/81/537821181.db2.gz NEEOCPBCZCFBKO-UHFFFAOYSA-N 2 0 362.474 1.789 20 5 FDBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489192 552000949 /nfs/dbraw/zinc/00/09/49/552000949.db2.gz SKXPKQPFPUPUGF-JSGCOSHPSA-N 2 0 350.419 1.991 20 5 FDBDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602479841 553590362 /nfs/dbraw/zinc/59/03/62/553590362.db2.gz QKDNFZDSDQWZCX-UHFFFAOYSA-N 2 0 353.467 1.899 20 5 FDBDRP Cc1c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864081 774525162 /nfs/dbraw/zinc/52/51/62/774525162.db2.gz NLVPXLNHDBAJJZ-NVXWUHKLSA-N 2 0 360.458 1.983 20 5 FDBDRP C[C@@H](C[NH+](C)C)NC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934040068 780636393 /nfs/dbraw/zinc/63/63/93/780636393.db2.gz GKRUGPJREIFHOX-ZDUSSCGKSA-N 2 0 364.450 1.418 20 5 FDBDRP COc1c(O)ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892534458 786887585 /nfs/dbraw/zinc/88/75/85/786887585.db2.gz LDMJKFBDVKXZQY-UHFFFAOYSA-N 2 0 352.435 1.425 20 5 FDBDRP COc1c(O)ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000892948406 791956650 /nfs/dbraw/zinc/95/66/50/791956650.db2.gz QWVUDQAQXYRKEZ-CQSZACIVSA-N 2 0 364.446 1.567 20 5 FDBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423454185 815095184 /nfs/dbraw/zinc/09/51/84/815095184.db2.gz LGKDTLONFZGOGM-CRFBAAHOSA-N 2 0 360.458 1.762 20 5 FDBDRP O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420350475 813623936 /nfs/dbraw/zinc/62/39/36/813623936.db2.gz SXKLCUQUFYICSD-OAHLLOKOSA-N 2 0 358.402 1.124 20 5 FDBDRP Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170897942 943212469 /nfs/dbraw/zinc/21/24/69/943212469.db2.gz QSMZYSZEPYBLOL-GFCCVEGCSA-N 2 0 350.810 1.871 20 5 FDBDRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000818988275 943374748 /nfs/dbraw/zinc/37/47/48/943374748.db2.gz NPZATHQZZKXPQV-LJQANCHMSA-N 2 0 362.474 1.776 20 5 FDBDRP CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000819062450 943425777 /nfs/dbraw/zinc/42/57/77/943425777.db2.gz PYJOLOLDHFOMTN-ROUUACIJSA-N 2 0 350.463 1.490 20 5 FDBDRP COC(=O)[C@H](C[NH3+])C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010870 961885313 /nfs/dbraw/zinc/88/53/13/961885313.db2.gz JRNJQBKYBMKWNI-SNVBAGLBSA-N 2 0 372.372 1.179 20 5 FDBDRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000104102703 525391940 /nfs/dbraw/zinc/39/19/40/525391940.db2.gz FKJMKXXUCQMLHQ-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443061023 538387594 /nfs/dbraw/zinc/38/75/94/538387594.db2.gz QOUCUDUHHZMDJL-ZDUSSCGKSA-N 2 0 350.419 1.993 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000473999069 538811854 /nfs/dbraw/zinc/81/18/54/538811854.db2.gz GWOGUICWEBSIAL-UHFFFAOYSA-N 2 0 365.430 1.968 20 5 FDBDRP COC(=O)COc1ccc(CN2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000490087883 538847889 /nfs/dbraw/zinc/84/78/89/538847889.db2.gz OKEBORCUOCVQKE-CQSZACIVSA-N 2 0 351.403 1.850 20 5 FDBDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080530 547591289 /nfs/dbraw/zinc/59/12/89/547591289.db2.gz QAUWDNJORVEDJM-DLBZAZTESA-N 2 0 364.494 1.892 20 5 FDBDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434217 549644594 /nfs/dbraw/zinc/64/45/94/549644594.db2.gz YMHOCTHOTKLGFH-CVEARBPZSA-N 2 0 367.446 1.425 20 5 FDBDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC000577171408 550627844 /nfs/dbraw/zinc/62/78/44/550627844.db2.gz GTRVXPFFJZYJKC-CQSZACIVSA-N 2 0 358.442 1.948 20 5 FDBDRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602608511 553610985 /nfs/dbraw/zinc/61/09/85/553610985.db2.gz VSQUOUAJGBRTBH-UHFFFAOYSA-N 2 0 351.451 1.653 20 5 FDBDRP O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000603279177 553752114 /nfs/dbraw/zinc/75/21/14/553752114.db2.gz PBPYCGAFNFKORA-CHWSQXEVSA-N 2 0 373.461 1.682 20 5 FDBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000574072282 694912059 /nfs/dbraw/zinc/91/20/59/694912059.db2.gz UAKPERSOAUFPKA-AWEZNQCLSA-N 2 0 355.460 1.690 20 5 FDBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608447 777024521 /nfs/dbraw/zinc/02/45/21/777024521.db2.gz FJZKHROXDAKNNL-CQSZACIVSA-N 2 0 364.446 1.669 20 5 FDBDRP O=C(CN1CCC2(CC[NH2+]C2)CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000431041188 779876596 /nfs/dbraw/zinc/87/65/96/779876596.db2.gz RMCLHHOEUWFXPY-UHFFFAOYSA-N 2 0 362.386 1.338 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347684 813613274 /nfs/dbraw/zinc/61/32/74/813613274.db2.gz ZCZKIJWDMVSZAW-MELADBBJSA-N 2 0 362.430 1.862 20 5 FDBDRP C[NH+]1CCN(C(=[NH2+])Nc2cnc(Oc3ccc([N+](=O)[O-])cc3)nc2)CC1 ZINC001168736138 879583004 /nfs/dbraw/zinc/58/30/04/879583004.db2.gz BMXSMHMDUDPDHG-UHFFFAOYSA-N 2 0 357.374 1.771 20 5 FDBDRP CC(C)[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000819058953 943398337 /nfs/dbraw/zinc/39/83/37/943398337.db2.gz AODITQRVVOKIEQ-QZTJIDSGSA-N 2 0 350.463 1.490 20 5 FDBDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588961 971238636 /nfs/dbraw/zinc/23/86/36/971238636.db2.gz DDWPTTXYWQLUPM-KRWDZBQOSA-N 2 0 374.445 1.791 20 5 FDBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000299619255 259011075 /nfs/dbraw/zinc/01/10/75/259011075.db2.gz ZEADMVNDMWILAK-UHFFFAOYSA-N 2 0 369.425 1.932 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000368351401 260170327 /nfs/dbraw/zinc/17/03/27/260170327.db2.gz GAHRPCPCATYTLX-SFHVURJKSA-N 2 0 362.430 1.960 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184676018 536175275 /nfs/dbraw/zinc/17/52/75/536175275.db2.gz YKLMPLLAISNWKU-HNNXBMFYSA-N 2 0 364.446 1.789 20 5 FDBDRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857105 538816500 /nfs/dbraw/zinc/81/65/00/538816500.db2.gz XUQAZSNKOQPASR-IRXDYDNUSA-N 2 0 360.458 1.983 20 5 FDBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592489520 552000926 /nfs/dbraw/zinc/00/09/26/552000926.db2.gz YFMQREOIAJCEQX-GXTWGEPZSA-N 2 0 350.419 1.991 20 5 FDBDRP NC(=O)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000600753273 553311451 /nfs/dbraw/zinc/31/14/51/553311451.db2.gz BTQSHCDYKUXABV-INIZCTEOSA-N 2 0 362.430 1.284 20 5 FDBDRP C[NH+]1CC=C(CNc2ncnc(NCC3=CC[N@H+](C)CC3)c2[N+](=O)[O-])CC1 ZINC000603327196 553764838 /nfs/dbraw/zinc/76/48/38/553764838.db2.gz AXEONQFIBOIJLE-UHFFFAOYSA-N 2 0 373.461 1.732 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415010493 679377743 /nfs/dbraw/zinc/37/77/43/679377743.db2.gz UYGKNXDRHBJQFN-TZMCWYRMSA-N 2 0 351.403 1.754 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567458 681082475 /nfs/dbraw/zinc/08/24/75/681082475.db2.gz DNCGPDGTNLZBHA-CHWSQXEVSA-N 2 0 350.419 1.991 20 5 FDBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430936441 681100610 /nfs/dbraw/zinc/10/06/10/681100610.db2.gz YOMAKEBADDWJPZ-UHFFFAOYSA-N 2 0 350.419 1.863 20 5 FDBDRP COc1c(O)ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000894253648 813856306 /nfs/dbraw/zinc/85/63/06/813856306.db2.gz MGACHDIZLSLNCR-UHFFFAOYSA-N 2 0 352.435 1.425 20 5 FDBDRP CC(C)[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000819058952 943398073 /nfs/dbraw/zinc/39/80/73/943398073.db2.gz AODITQRVVOKIEQ-MSOLQXFVSA-N 2 0 350.463 1.490 20 5 FDBDRP CCc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000870021350 985526872 /nfs/dbraw/zinc/52/68/72/985526872.db2.gz OLWWJYZXEVQODV-IAGOWNOFSA-N 2 0 362.474 1.969 20 5 FDBDRP COc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000298809582 990291455 /nfs/dbraw/zinc/29/14/55/990291455.db2.gz RWKPALFGCAXMMB-UHFFFAOYSA-N 2 0 366.462 1.949 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440169 1004164429 /nfs/dbraw/zinc/16/44/29/1004164429.db2.gz HEWQIXHJYQAPQK-UONOGXRCSA-N 2 0 362.430 1.816 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000057718223 522141562 /nfs/dbraw/zinc/14/15/62/522141562.db2.gz KDGTWRPGMGPGEU-UHFFFAOYSA-N 2 0 372.491 1.489 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168923914 525621592 /nfs/dbraw/zinc/62/15/92/525621592.db2.gz WQXZJFGEOKSZDZ-KRWDZBQOSA-N 2 0 364.490 1.944 20 5 FDBDRP O=C1N[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397459 538285787 /nfs/dbraw/zinc/28/57/87/538285787.db2.gz FMMPYLLLQLWILG-ZWKOTPCHSA-N 2 0 373.457 1.357 20 5 FDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000579354537 550864283 /nfs/dbraw/zinc/86/42/83/550864283.db2.gz CQNNZFLYHYJRPI-AEGPPILISA-N 2 0 362.430 1.991 20 5 FDBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602586362 553608356 /nfs/dbraw/zinc/60/83/56/553608356.db2.gz ALLAHVXQUSVYLB-KRWDZBQOSA-N 2 0 365.478 1.905 20 5 FDBDRP Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000609674880 554410214 /nfs/dbraw/zinc/41/02/14/554410214.db2.gz UVXIADCBYAKNPD-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CC[NH2+]CC1 ZINC000470013991 684999329 /nfs/dbraw/zinc/99/93/29/684999329.db2.gz TVWXYJIETQRJDN-CQSZACIVSA-N 2 0 350.394 1.378 20 5 FDBDRP Cc1c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000261864094 774520909 /nfs/dbraw/zinc/52/09/09/774520909.db2.gz NLVPXLNHDBAJJZ-WBVHZDCISA-N 2 0 360.458 1.983 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610798 777067237 /nfs/dbraw/zinc/06/72/37/777067237.db2.gz MGRCVKPHMZJZFB-AWEZNQCLSA-N 2 0 362.430 1.247 20 5 FDBDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472597226 787893339 /nfs/dbraw/zinc/89/33/39/787893339.db2.gz BPBLFEPGAVCGLG-DLBZAZTESA-N 2 0 364.494 1.891 20 5 FDBDRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CC[NH+](C)CC1 ZINC000518475268 817889691 /nfs/dbraw/zinc/88/96/91/817889691.db2.gz WJZIMIHUWZIDHN-IKGGRYGDSA-N 2 0 364.494 1.748 20 5 FDBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819058057 943399125 /nfs/dbraw/zinc/39/91/25/943399125.db2.gz DJVMQBYFDKHVEE-CRAIPNDOSA-N 2 0 350.463 1.491 20 5 FDBDRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000854232402 968703845 /nfs/dbraw/zinc/70/38/45/968703845.db2.gz OMEABVJWPZARIK-UHFFFAOYSA-N 2 0 358.402 1.308 20 5 FDBDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000863641907 973077346 /nfs/dbraw/zinc/07/73/46/973077346.db2.gz FZQCSYHBSYARRR-PUWFUPIHSA-N 2 0 372.425 1.865 20 5 FDBDRP C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000362280576 988621583 /nfs/dbraw/zinc/62/15/83/988621583.db2.gz JOGJRVHWDCKWQC-CXAGYDPISA-N 2 0 355.398 1.947 20 5 FDBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCCN2CC[NH2+]CC2)n1 ZINC000925845320 995794868 /nfs/dbraw/zinc/79/48/68/995794868.db2.gz GFHLOIHXVYYZNE-SJORKVTESA-N 2 0 364.494 1.940 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000557026592 544236447 /nfs/dbraw/zinc/23/64/47/544236447.db2.gz HQLCJXOTESEEKS-UHFFFAOYSA-N 2 0 374.445 1.346 20 5 FDBDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000330486083 259147242 /nfs/dbraw/zinc/14/72/42/259147242.db2.gz CZKLXMJQLPLUSH-UHFFFAOYSA-N 2 0 370.475 1.241 20 5 FDBDRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000077780136 523463934 /nfs/dbraw/zinc/46/39/34/523463934.db2.gz RGYQEXSYZRPNSZ-CQSZACIVSA-N 2 0 351.451 1.791 20 5 FDBDRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437786 537181608 /nfs/dbraw/zinc/18/16/08/537181608.db2.gz BMVLXJAJZJTARX-JKSUJKDBSA-N 2 0 351.447 1.998 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212308 537717567 /nfs/dbraw/zinc/71/75/67/537717567.db2.gz UFDDUQGXRGLANS-SFHVURJKSA-N 2 0 362.430 1.960 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292274392 537723434 /nfs/dbraw/zinc/72/34/34/537723434.db2.gz ZXCJBPXKUXOYDN-SFHVURJKSA-N 2 0 362.430 1.960 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589195982 551716624 /nfs/dbraw/zinc/71/66/24/551716624.db2.gz RNNXPPWOHGZKQU-UHFFFAOYSA-N 2 0 352.435 1.291 20 5 FDBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592489524 552001121 /nfs/dbraw/zinc/00/11/21/552001121.db2.gz YFMQREOIAJCEQX-OCCSQVGLSA-N 2 0 350.419 1.991 20 5 FDBDRP CNc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000597942932 552848760 /nfs/dbraw/zinc/84/87/60/552848760.db2.gz QHHBKATYBWYOEW-ZDUSSCGKSA-N 2 0 351.451 1.638 20 5 FDBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000430925314 681099653 /nfs/dbraw/zinc/09/96/53/681099653.db2.gz KJNSVDFUGBMTBV-UHFFFAOYSA-N 2 0 350.419 1.863 20 5 FDBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447522213 682553654 /nfs/dbraw/zinc/55/36/54/682553654.db2.gz YCIZAHSKHHGKSI-HZPDHXFCSA-N 2 0 350.467 1.502 20 5 FDBDRP O=[N+]([O-])c1cccc([C@H](O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000923431295 889230473 /nfs/dbraw/zinc/23/04/73/889230473.db2.gz OGCLHILRVRLQCX-CEXWTWQISA-N 2 0 360.458 1.529 20 5 FDBDRP [NH3+][C@@H]1CCc2c3ccccc3n(-c3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])c2C1 ZINC001171095086 947397571 /nfs/dbraw/zinc/39/75/71/947397571.db2.gz KKIZTKKOQAJVDB-GFCCVEGCSA-N 2 0 364.409 1.832 20 5 FDBDRP CNc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000870019753 985524047 /nfs/dbraw/zinc/52/40/47/985524047.db2.gz ORASOCAWFTUZRE-ZIAGYGMSSA-N 2 0 363.462 1.448 20 5 FDBDRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000870019670 985524376 /nfs/dbraw/zinc/52/43/76/985524376.db2.gz MJPKVBMPQRJNRZ-DJIMGWMZSA-N 2 0 362.474 1.896 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015453 172258976 /nfs/dbraw/zinc/25/89/76/172258976.db2.gz JAWMVKOXCBFNAP-MCIONIFRSA-N 2 0 370.475 1.191 20 5 FDBDRP O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000129668011 173147232 /nfs/dbraw/zinc/14/72/32/173147232.db2.gz MMMOTTAYTMGZMA-OAHLLOKOSA-N 2 0 362.430 1.578 20 5 FDBDRP CN1CC[NH+](CCCC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000558573381 544470885 /nfs/dbraw/zinc/47/08/85/544470885.db2.gz KZSPXTKBMRVTHY-UHFFFAOYSA-N 2 0 363.462 1.541 20 5 FDBDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000174714482 524700708 /nfs/dbraw/zinc/70/07/08/524700708.db2.gz OTYPECQQRHWBPB-UHFFFAOYSA-N 2 0 363.462 1.493 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105173 525214340 /nfs/dbraw/zinc/21/43/40/525214340.db2.gz UFMFROONQQAZJD-IOASZLSFSA-N 2 0 370.475 1.191 20 5 FDBDRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000168924192 525622070 /nfs/dbraw/zinc/62/20/70/525622070.db2.gz LZICRYLZUHHKST-QGZVFWFLSA-N 2 0 364.490 1.944 20 5 FDBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247559922 537134687 /nfs/dbraw/zinc/13/46/87/537134687.db2.gz QRZFSXYJYWSLBU-PKOBYXMFSA-N 2 0 373.457 1.606 20 5 FDBDRP C[NH+]1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)(N2CCOCC2)CC1 ZINC000414491970 537826000 /nfs/dbraw/zinc/82/60/00/537826000.db2.gz ZVOYDKURRJKRHH-UHFFFAOYSA-N 2 0 366.437 1.620 20 5 FDBDRP CCc1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000444156349 538121967 /nfs/dbraw/zinc/12/19/67/538121967.db2.gz NWXLZBPOMZGGBW-CYBMUJFWSA-N 2 0 366.466 1.368 20 5 FDBDRP NC(=O)c1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420377804 538281861 /nfs/dbraw/zinc/28/18/61/538281861.db2.gz LFNAJULFQTYCFN-WBVHZDCISA-N 2 0 362.430 1.412 20 5 FDBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592433593 551994801 /nfs/dbraw/zinc/99/48/01/551994801.db2.gz JBNKKHYETPMXHZ-KDOFPFPSSA-N 2 0 363.414 1.694 20 5 FDBDRP COc1cc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000603464295 553791565 /nfs/dbraw/zinc/79/15/65/553791565.db2.gz WZCIJKXMQBYXML-CQSZACIVSA-N 2 0 353.419 1.201 20 5 FDBDRP C[C@H]1C[NH+](CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C[C@H](C)O1 ZINC000365326228 677356245 /nfs/dbraw/zinc/35/62/45/677356245.db2.gz JTOQDDYZUAUTAN-GJZGRUSLSA-N 2 0 351.451 1.613 20 5 FDBDRP COCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423402306 680792110 /nfs/dbraw/zinc/79/21/10/680792110.db2.gz HAICBUJOLMKBLK-CABCVRRESA-N 2 0 351.451 1.881 20 5 FDBDRP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313083281 801249447 /nfs/dbraw/zinc/24/94/47/801249447.db2.gz XCWHMCLRXPXULK-KVSKMBFKSA-N 2 0 373.457 1.652 20 5 FDBDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367050776 814269464 /nfs/dbraw/zinc/26/94/64/814269464.db2.gz SIKXMDQJYXXNEU-KRWDZBQOSA-N 2 0 364.494 1.844 20 5 FDBDRP CC(C)(CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[N+](=O)[O-] ZINC000294593914 821283326 /nfs/dbraw/zinc/28/33/26/821283326.db2.gz PPXRNLHWCIQMFD-UHFFFAOYSA-N 2 0 363.462 1.545 20 5 FDBDRP C[NH+]1CCC(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000414480676 825388892 /nfs/dbraw/zinc/38/88/92/825388892.db2.gz JHGPIUCWHFXJEP-GQCTYLIASA-N 2 0 374.485 1.994 20 5 FDBDRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000897069226 826872533 /nfs/dbraw/zinc/87/25/33/826872533.db2.gz SUVKZFAMSICZMC-HNNXBMFYSA-N 2 0 365.478 1.833 20 5 FDBDRP O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000923431297 889230258 /nfs/dbraw/zinc/23/02/58/889230258.db2.gz OGCLHILRVRLQCX-OTWHNJEPSA-N 2 0 360.458 1.529 20 5 FDBDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169023999 928248404 /nfs/dbraw/zinc/24/84/04/928248404.db2.gz WPKMOXHYHVYUSP-DOTOQJQBSA-N 2 0 362.474 1.256 20 5 FDBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000819218498 943492989 /nfs/dbraw/zinc/49/29/89/943492989.db2.gz HSQWJUWVVALIRX-PMACEKPBSA-N 2 0 371.437 1.985 20 5 FDBDRP C[C@@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1nnnn1C ZINC001184154202 963452056 /nfs/dbraw/zinc/45/20/56/963452056.db2.gz PTJCQCZVWJWGMZ-CQSZACIVSA-N 2 0 373.461 1.724 20 5 FDBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550284 973005644 /nfs/dbraw/zinc/00/56/44/973005644.db2.gz SRCBLVVCPRYYQI-VUCTXSBTSA-N 2 0 360.414 1.913 20 5 FDBDRP COc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000870019204 985522453 /nfs/dbraw/zinc/52/24/53/985522453.db2.gz UITNQTGPCMIGJM-ZIAGYGMSSA-N 2 0 364.446 1.415 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H]1C[NH+](C)C ZINC000870022444 985529577 /nfs/dbraw/zinc/52/95/77/985529577.db2.gz SISUPNVKQPSYCO-ZIAGYGMSSA-N 2 0 373.457 1.888 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000523484257 539611263 /nfs/dbraw/zinc/61/12/63/539611263.db2.gz HQQGFPSBWALFJW-CQSZACIVSA-N 2 0 351.451 1.421 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171656234 258267943 /nfs/dbraw/zinc/26/79/43/258267943.db2.gz XCPQIHQQRMOMNB-UHFFFAOYSA-N 2 0 364.446 1.363 20 5 FDBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884910 260105231 /nfs/dbraw/zinc/10/52/31/260105231.db2.gz IZXGGOPOKIHBNN-SFHVURJKSA-N 2 0 374.445 1.396 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000075625769 522946392 /nfs/dbraw/zinc/94/63/92/522946392.db2.gz CKUFCUKYFOGFOT-GOSISDBHSA-N 2 0 365.478 1.740 20 5 FDBDRP Cn1cc(C[NH2+]CCCN2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414787973 537913305 /nfs/dbraw/zinc/91/33/05/537913305.db2.gz ZYHTYBHUSLEWMV-UHFFFAOYSA-N 2 0 358.446 1.380 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342878 538269033 /nfs/dbraw/zinc/26/90/33/538269033.db2.gz QJILAMHINJTEPE-UONOGXRCSA-N 2 0 362.430 1.863 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594514834 552327013 /nfs/dbraw/zinc/32/70/13/552327013.db2.gz PPOCALZCSCNAMY-OKILXGFUSA-N 2 0 351.403 1.576 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967561 553497026 /nfs/dbraw/zinc/49/70/26/553497026.db2.gz KLONVVKHVHFBMF-SZVBFZGTSA-N 2 0 373.457 1.510 20 5 FDBDRP O=[N+]([O-])c1c(N[C@@H]2CC[NH+](C3CC3)C2)ncnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000603279144 553751908 /nfs/dbraw/zinc/75/19/08/553751908.db2.gz NOAISZUSWNTTRA-BETUJISGSA-N 2 0 373.461 1.682 20 5 FDBDRP O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000603279180 553751948 /nfs/dbraw/zinc/75/19/48/553751948.db2.gz PBPYCGAFNFKORA-STQMWFEESA-N 2 0 373.461 1.682 20 5 FDBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618561988 555651348 /nfs/dbraw/zinc/65/13/48/555651348.db2.gz OCMHCSKFXNKDKA-CVEARBPZSA-N 2 0 364.494 1.891 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104533045 671597079 /nfs/dbraw/zinc/59/70/79/671597079.db2.gz WBRULAPYDUGCCF-UHFFFAOYSA-N 2 0 353.379 1.068 20 5 FDBDRP CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289531917 676149035 /nfs/dbraw/zinc/14/90/35/676149035.db2.gz WFFGUWDOEKORGV-UHFFFAOYSA-N 2 0 351.451 1.009 20 5 FDBDRP O=[N+]([O-])c1cnc(N2CCCC[C@@H]2CC[NH+]2CCCC2)nc1C1C[NH2+]C1 ZINC001165049621 721979398 /nfs/dbraw/zinc/97/93/98/721979398.db2.gz LLCGZSVKUVLJOQ-OAHLLOKOSA-N 2 0 360.462 1.916 20 5 FDBDRP Cn1c(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000424020122 815296814 /nfs/dbraw/zinc/29/68/14/815296814.db2.gz NRAMPYQYXLWXLR-UHFFFAOYSA-N 2 0 371.441 1.657 20 5 FDBDRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000897069227 826874228 /nfs/dbraw/zinc/87/42/28/826874228.db2.gz SUVKZFAMSICZMC-OAHLLOKOSA-N 2 0 365.478 1.833 20 5 FDBDRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904396579 851179819 /nfs/dbraw/zinc/17/98/19/851179819.db2.gz LEDRYAXUEDSQOW-UHFFFAOYSA-N 2 0 374.388 1.242 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000819138493 943435849 /nfs/dbraw/zinc/43/58/49/943435849.db2.gz TVMSKGLYUXGOLR-DQPZFDDXSA-N 2 0 351.451 1.539 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH+](C)C ZINC000870023973 985534193 /nfs/dbraw/zinc/53/41/93/985534193.db2.gz RAQGZYDNRIBPSF-CHWSQXEVSA-N 2 0 374.445 1.283 20 5 FDBDRP Cc1c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873131510 988595729 /nfs/dbraw/zinc/59/57/29/988595729.db2.gz UBRJKJXEWKKUCO-UHFFFAOYSA-N 2 0 362.474 1.789 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264948951 179249241 /nfs/dbraw/zinc/24/92/41/179249241.db2.gz XRIONEDGJUKUGK-UHFFFAOYSA-N 2 0 351.451 1.523 20 5 FDBDRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000268263552 180039129 /nfs/dbraw/zinc/03/91/29/180039129.db2.gz ZRAGIOWZMOMHPQ-WFASDCNBSA-N 2 0 355.398 1.993 20 5 FDBDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133200605 173257082 /nfs/dbraw/zinc/25/70/82/173257082.db2.gz FHXAIPLANHKFBB-UHFFFAOYSA-N 2 0 352.410 1.832 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850542 547065835 /nfs/dbraw/zinc/06/58/35/547065835.db2.gz VPTZGYSIRDSCSW-NVXWUHKLSA-N 2 0 351.447 1.902 20 5 FDBDRP Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000578012124 550718989 /nfs/dbraw/zinc/71/89/89/550718989.db2.gz VIMVWDMVTAHGTJ-UHFFFAOYSA-N 2 0 372.429 1.052 20 5 FDBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000579100254 550835393 /nfs/dbraw/zinc/83/53/93/550835393.db2.gz VIMIUFGGRAXOJI-ZDUSSCGKSA-N 2 0 352.460 1.487 20 5 FDBDRP CC[NH+]1CCC(N2CCC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])CC2)CC1 ZINC000602847019 553650100 /nfs/dbraw/zinc/65/01/00/553650100.db2.gz QMXOVESWIKYTRZ-UHFFFAOYSA-N 2 0 364.494 1.592 20 5 FDBDRP Cn1ccnc1N1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000610432333 554505146 /nfs/dbraw/zinc/50/51/46/554505146.db2.gz FQXWKQMOTFHSTG-INIZCTEOSA-N 2 0 370.413 1.256 20 5 FDBDRP C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000612576186 554808931 /nfs/dbraw/zinc/80/89/31/554808931.db2.gz SNBTYXWBQDPAQL-ZDUSSCGKSA-N 2 0 355.460 1.688 20 5 FDBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000436059838 681661273 /nfs/dbraw/zinc/66/12/73/681661273.db2.gz LVRWWBPECBBMRV-OAHLLOKOSA-N 2 0 350.419 1.293 20 5 FDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000451977956 785225694 /nfs/dbraw/zinc/22/56/94/785225694.db2.gz FISNSPYHAGXYLA-UHFFFAOYSA-N 2 0 363.462 1.199 20 5 FDBDRP COc1c(O)ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000893318512 795378491 /nfs/dbraw/zinc/37/84/91/795378491.db2.gz ATTWNYVBOYZGPH-UHFFFAOYSA-N 2 0 352.435 1.426 20 5 FDBDRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448758927 829234215 /nfs/dbraw/zinc/23/42/15/829234215.db2.gz BUTISIGQDQCARH-CYBMUJFWSA-N 2 0 355.398 1.995 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000818984144 943371973 /nfs/dbraw/zinc/37/19/73/943371973.db2.gz YLMLEUAGFQVUQS-SFHVURJKSA-N 2 0 365.478 1.787 20 5 FDBDRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062288 943426419 /nfs/dbraw/zinc/42/64/19/943426419.db2.gz PGRPCJDNUXPHEP-SFHVURJKSA-N 2 0 350.463 1.636 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C[NH+](C)C ZINC000866011936 974620368 /nfs/dbraw/zinc/62/03/68/974620368.db2.gz MVCXNVCZXYYGKN-VXGBXAGGSA-N 2 0 364.475 1.775 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870023360 985531798 /nfs/dbraw/zinc/53/17/98/985531798.db2.gz VFCLYMQFTVNPJR-HUUCEWRRSA-N 2 0 363.462 1.205 20 5 FDBDRP CC(C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CC[NH+](C)CC1 ZINC000876924371 992969387 /nfs/dbraw/zinc/96/93/87/992969387.db2.gz QDMLBMNJBYFZOG-VMBOVVBDSA-N 2 0 350.467 1.356 20 5 FDBDRP CC(C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)N1CC[NH+](C)CC1 ZINC000876924370 992969705 /nfs/dbraw/zinc/96/97/05/992969705.db2.gz QDMLBMNJBYFZOG-DQPZFDDXSA-N 2 0 350.467 1.356 20 5 FDBDRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925231218 995416738 /nfs/dbraw/zinc/41/67/38/995416738.db2.gz BXUGGFAPNIPFMN-CQSZACIVSA-N 2 0 351.451 1.791 20 5 FDBDRP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000090551391 172266884 /nfs/dbraw/zinc/26/68/84/172266884.db2.gz QMUOWMSAXFMYDP-UHFFFAOYSA-N 2 0 364.446 1.333 20 5 FDBDRP Cn1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000077450482 523339653 /nfs/dbraw/zinc/33/96/53/523339653.db2.gz UIUQUGXZYONFGJ-UHFFFAOYSA-N 2 0 359.430 1.542 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105448 525212977 /nfs/dbraw/zinc/21/29/77/525212977.db2.gz UFMFROONQQAZJD-XJKCOSOUSA-N 2 0 370.475 1.191 20 5 FDBDRP C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000119047472 525618122 /nfs/dbraw/zinc/61/81/22/525618122.db2.gz KTJYCOHSPLVVAT-WBMJQRKESA-N 2 0 359.386 1.229 20 5 FDBDRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000168915855 525621803 /nfs/dbraw/zinc/62/18/03/525621803.db2.gz PQZGBOIZZMRUGU-KRWDZBQOSA-N 2 0 364.490 1.944 20 5 FDBDRP CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000191793861 537212617 /nfs/dbraw/zinc/21/26/17/537212617.db2.gz ASXVZYPTNQERPY-AWEZNQCLSA-N 2 0 366.466 1.299 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414909279 537935672 /nfs/dbraw/zinc/93/56/72/537935672.db2.gz RKXXFAYULGYOLI-UHFFFAOYSA-N 2 0 351.403 1.626 20 5 FDBDRP COCC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423393707 538391834 /nfs/dbraw/zinc/39/18/34/538391834.db2.gz PNLJMKFAYIZNPA-CQSZACIVSA-N 2 0 364.446 1.918 20 5 FDBDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442918 550314790 /nfs/dbraw/zinc/31/47/90/550314790.db2.gz CUFFDFMIKXVZFD-SFHVURJKSA-N 2 0 361.446 1.782 20 5 FDBDRP COc1cc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000603464294 553791637 /nfs/dbraw/zinc/79/16/37/553791637.db2.gz WZCIJKXMQBYXML-AWEZNQCLSA-N 2 0 353.419 1.201 20 5 FDBDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567997 555651734 /nfs/dbraw/zinc/65/17/34/555651734.db2.gz GTZCOKHDOUHKLW-IXDOHACOSA-N 2 0 365.478 1.957 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567463 681082453 /nfs/dbraw/zinc/08/24/53/681082453.db2.gz DNCGPDGTNLZBHA-STQMWFEESA-N 2 0 350.419 1.991 20 5 FDBDRP Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262113448 774844536 /nfs/dbraw/zinc/84/45/36/774844536.db2.gz KTPWLNXAINYVDA-SFHVURJKSA-N 2 0 370.457 1.475 20 5 FDBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233075 793766465 /nfs/dbraw/zinc/76/64/65/793766465.db2.gz UPNVQSCAPNEECW-RBUKOAKNSA-N 2 0 362.474 1.729 20 5 FDBDRP COc1c(O)ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000893662567 808802783 /nfs/dbraw/zinc/80/27/83/808802783.db2.gz YFWDUPFPQWWRLA-ZDUSSCGKSA-N 2 0 352.435 1.425 20 5 FDBDRP COC(=O)COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261954810 817622245 /nfs/dbraw/zinc/62/22/45/817622245.db2.gz GMPTUKLQFFGRNV-UHFFFAOYSA-N 2 0 363.414 1.722 20 5 FDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000894781065 818442255 /nfs/dbraw/zinc/44/22/55/818442255.db2.gz LJFHBISMWIHOHL-UHFFFAOYSA-N 2 0 366.462 1.815 20 5 FDBDRP O=C(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CC[NH+](C2CCCCC2)CC1 ZINC001168991621 928215178 /nfs/dbraw/zinc/21/51/78/928215178.db2.gz ICLHUWRJFKPRHF-JKSUJKDBSA-N 2 0 352.479 1.498 20 5 FDBDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971858 943109225 /nfs/dbraw/zinc/10/92/25/943109225.db2.gz IBUTXNRZMHZJSX-QMTHXVAHSA-N 2 0 361.368 1.664 20 5 FDBDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818980274 943369096 /nfs/dbraw/zinc/36/90/96/943369096.db2.gz BEXPUVRXZZGIBB-GOSISDBHSA-N 2 0 371.441 1.565 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019833 985524229 /nfs/dbraw/zinc/52/42/29/985524229.db2.gz SDPIRUNCCPBONY-ZIAGYGMSSA-N 2 0 364.446 1.415 20 5 FDBDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622767 260069607 /nfs/dbraw/zinc/06/96/07/260069607.db2.gz JVXBOJHEQLGJLV-QFBILLFUSA-N 2 0 362.474 1.588 20 5 FDBDRP O=[N+]([O-])c1ccc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000367783407 260091022 /nfs/dbraw/zinc/09/10/22/260091022.db2.gz LYDHCKUKDURCNF-UHFFFAOYSA-N 2 0 369.849 1.907 20 5 FDBDRP CN(C(=O)CN1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000151308495 524553593 /nfs/dbraw/zinc/55/35/93/524553593.db2.gz BIPRROFVQXLCRD-UHFFFAOYSA-N 2 0 355.398 1.775 20 5 FDBDRP O=C(NC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000261796649 537253287 /nfs/dbraw/zinc/25/32/87/537253287.db2.gz ZPBAPICWMOYKHJ-GXTWGEPZSA-N 2 0 352.460 1.737 20 5 FDBDRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000398019701 537793330 /nfs/dbraw/zinc/79/33/30/537793330.db2.gz JILSZKIOSHDZKQ-HFTRVMKXSA-N 2 0 359.430 1.405 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678911 548207897 /nfs/dbraw/zinc/20/78/97/548207897.db2.gz DWKRAYWLPWOICD-HKUYNNGSSA-N 2 0 373.457 1.306 20 5 FDBDRP Cc1c(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000597942777 552848819 /nfs/dbraw/zinc/84/88/19/552848819.db2.gz OKUFEDJRIDZNQC-AWEZNQCLSA-N 2 0 350.463 1.834 20 5 FDBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000602548640 553603864 /nfs/dbraw/zinc/60/38/64/553603864.db2.gz OCSJCGZNFQZNOO-ZDUSSCGKSA-N 2 0 359.430 1.994 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810764 553642465 /nfs/dbraw/zinc/64/24/65/553642465.db2.gz IUTXHWHTTVEXPN-GOEBONIOSA-N 2 0 353.467 1.826 20 5 FDBDRP O=[N+]([O-])c1cnc(N2CCCC[C@H]2CC[NH+]2CCCC2)nc1C1C[NH2+]C1 ZINC001165049620 721979450 /nfs/dbraw/zinc/97/94/50/721979450.db2.gz LLCGZSVKUVLJOQ-HNNXBMFYSA-N 2 0 360.462 1.916 20 5 FDBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472597230 787893833 /nfs/dbraw/zinc/89/38/33/787893833.db2.gz BPBLFEPGAVCGLG-IAGOWNOFSA-N 2 0 364.494 1.891 20 5 FDBDRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339428 813610672 /nfs/dbraw/zinc/61/06/72/813610672.db2.gz YVPIIRVLKNJLJL-JKSUJKDBSA-N 2 0 358.442 1.805 20 5 FDBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447533717 828777854 /nfs/dbraw/zinc/77/78/54/828777854.db2.gz YSKALSAGESVPSV-IXDOHACOSA-N 2 0 364.494 1.891 20 5 FDBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173186443 961956515 /nfs/dbraw/zinc/95/65/15/961956515.db2.gz RVWYGFGRUQZRGG-YPMHNXCESA-N 2 0 370.425 1.507 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH+](C)C ZINC000870017908 985519277 /nfs/dbraw/zinc/51/92/77/985519277.db2.gz JUUSITPFEXINHH-CHWSQXEVSA-N 2 0 352.410 1.545 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH+](C)C ZINC000870023373 985531768 /nfs/dbraw/zinc/53/17/68/985531768.db2.gz VXQUTKGNRRRMLM-CHWSQXEVSA-N 2 0 352.410 1.545 20 5 FDBDRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329938 990362030 /nfs/dbraw/zinc/36/20/30/990362030.db2.gz PMOOEELIORGBKN-PBHICJAKSA-N 2 0 363.462 1.349 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778262818 1005781981 /nfs/dbraw/zinc/78/19/81/1005781981.db2.gz IZEHHBUCEGBMIQ-UHFFFAOYSA-N 2 0 366.447 1.165 20 5 FDBDRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000112362278 524471443 /nfs/dbraw/zinc/47/14/43/524471443.db2.gz LERZYLVUVLTJQE-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000119047372 525616792 /nfs/dbraw/zinc/61/67/92/525616792.db2.gz KTJYCOHSPLVVAT-LRDDRELGSA-N 2 0 359.386 1.229 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292274385 537723625 /nfs/dbraw/zinc/72/36/25/537723625.db2.gz ZXCJBPXKUXOYDN-GOSISDBHSA-N 2 0 362.430 1.960 20 5 FDBDRP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905577 538850901 /nfs/dbraw/zinc/85/09/01/538850901.db2.gz KMZNJJSVOPSRSZ-ZFWWWQNUSA-N 2 0 364.446 1.984 20 5 FDBDRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000602877448 553657912 /nfs/dbraw/zinc/65/79/12/553657912.db2.gz NUWXNMJJJCRWAQ-UHFFFAOYSA-N 2 0 358.442 1.902 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266074891 673049387 /nfs/dbraw/zinc/04/93/87/673049387.db2.gz FSBNCCUYRJYLHP-UHFFFAOYSA-N 2 0 350.463 1.869 20 5 FDBDRP CCC[NH+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000377932987 678654572 /nfs/dbraw/zinc/65/45/72/678654572.db2.gz SBLDTVFKSWCQCG-UHFFFAOYSA-N 2 0 350.467 1.283 20 5 FDBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430599326 681085395 /nfs/dbraw/zinc/08/53/95/681085395.db2.gz AHDKHKGPVBFWRZ-ZDUSSCGKSA-N 2 0 350.419 1.863 20 5 FDBDRP C[NH2+]CCC1CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000261964029 774591987 /nfs/dbraw/zinc/59/19/87/774591987.db2.gz PRTLWALXPGUWGO-UHFFFAOYSA-N 2 0 365.430 1.968 20 5 FDBDRP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313083278 801259201 /nfs/dbraw/zinc/25/92/01/801259201.db2.gz XCWHMCLRXPXULK-IEZWGBDMSA-N 2 0 373.457 1.652 20 5 FDBDRP COc1c(O)ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000893662566 808802080 /nfs/dbraw/zinc/80/20/80/808802080.db2.gz YFWDUPFPQWWRLA-CYBMUJFWSA-N 2 0 352.435 1.425 20 5 FDBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420350131 813623874 /nfs/dbraw/zinc/62/38/74/813623874.db2.gz RMBOLMGFWJDCLP-OAHLLOKOSA-N 2 0 361.446 1.211 20 5 FDBDRP COC(=O)COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000475577829 827940216 /nfs/dbraw/zinc/94/02/16/827940216.db2.gz INPSHCPKHUAZTL-UHFFFAOYSA-N 2 0 365.430 1.920 20 5 FDBDRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022796 928246428 /nfs/dbraw/zinc/24/64/28/928246428.db2.gz SRKYAVAVSQTFOO-RCCFBDPRSA-N 2 0 355.479 1.493 20 5 FDBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)CN(C)C(N)=[NH2+] ZINC001144141024 948268906 /nfs/dbraw/zinc/26/89/06/948268906.db2.gz SPFWNVKTBAPDRJ-UHFFFAOYSA-N 2 0 366.425 1.720 20 5 FDBDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000776276563 975290145 /nfs/dbraw/zinc/29/01/45/975290145.db2.gz JTTCOOVSWYLHLY-GOSISDBHSA-N 2 0 371.441 1.565 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000541525434 541224238 /nfs/dbraw/zinc/22/42/38/541224238.db2.gz ZGBDOAIFBJAADH-UHFFFAOYSA-N 2 0 367.450 1.238 20 5 FDBDRP Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000541823840 541272773 /nfs/dbraw/zinc/27/27/73/541272773.db2.gz USVMRKSPHLVTEO-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295104701 184033941 /nfs/dbraw/zinc/03/39/41/184033941.db2.gz KXEIODOSJOAAEE-GOEBONIOSA-N 2 0 364.446 1.748 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176338564 174066073 /nfs/dbraw/zinc/06/60/73/174066073.db2.gz MQPNXGQQXVRUEX-AWEZNQCLSA-N 2 0 363.462 1.665 20 5 FDBDRP O=C(CC[NH2+]CCCC[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000558574114 544471372 /nfs/dbraw/zinc/47/13/72/544471372.db2.gz CUIOZKOOVBCSLG-UHFFFAOYSA-N 2 0 350.419 1.625 20 5 FDBDRP CN(CCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289395620 258819413 /nfs/dbraw/zinc/81/94/13/258819413.db2.gz KNRQERBHLQZMLY-KRWDZBQOSA-N 2 0 368.478 1.150 20 5 FDBDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000367485451 260049680 /nfs/dbraw/zinc/04/96/80/260049680.db2.gz XZUOCDZCFQOAKY-NZSAHSFTSA-N 2 0 373.457 1.825 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373795337 261041259 /nfs/dbraw/zinc/04/12/59/261041259.db2.gz NGOGMKZRBPHTLP-ZDUSSCGKSA-N 2 0 362.430 1.502 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199055 524759456 /nfs/dbraw/zinc/75/94/56/524759456.db2.gz FIFFUBVBTPPMIC-ZDUSSCGKSA-N 2 0 350.419 1.816 20 5 FDBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389865 538389329 /nfs/dbraw/zinc/38/93/29/538389329.db2.gz LYRACQBJPUNPCN-IUODEOHRSA-N 2 0 360.380 1.952 20 5 FDBDRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000566118235 547612254 /nfs/dbraw/zinc/61/22/54/547612254.db2.gz YMGJQLMVDDPWBO-OAHLLOKOSA-N 2 0 351.382 1.143 20 5 FDBDRP Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000572832989 550004365 /nfs/dbraw/zinc/00/43/65/550004365.db2.gz UORNIIDDOXNFNZ-UHFFFAOYSA-N 2 0 371.441 1.657 20 5 FDBDRP Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000573753061 550205241 /nfs/dbraw/zinc/20/52/41/550205241.db2.gz AGZYEVCPAYRDJE-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP COC(=O)COc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000574204982 550275167 /nfs/dbraw/zinc/27/51/67/550275167.db2.gz QKCHDRBNRGPYPS-GOSISDBHSA-N 2 0 363.414 1.722 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116520 550428681 /nfs/dbraw/zinc/42/86/81/550428681.db2.gz CPXRKUJDVHFRHO-HOTGVXAUSA-N 2 0 351.447 1.902 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593736165 552187317 /nfs/dbraw/zinc/18/73/17/552187317.db2.gz IILXGWDFXAZETM-UGSOOPFHSA-N 2 0 362.430 1.993 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596626959 552695074 /nfs/dbraw/zinc/69/50/74/552695074.db2.gz SNZVUDFMNLAIDR-ZDUSSCGKSA-N 2 0 367.450 1.997 20 5 FDBDRP CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602962311 553681358 /nfs/dbraw/zinc/68/13/58/553681358.db2.gz IKAQOSYRKQDUOK-LJQANCHMSA-N 2 0 364.490 1.808 20 5 FDBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420363665 813627873 /nfs/dbraw/zinc/62/78/73/813627873.db2.gz BSEPEGOCQYVGDQ-CQSZACIVSA-N 2 0 358.446 1.983 20 5 FDBDRP C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000894975013 819425051 /nfs/dbraw/zinc/42/50/51/819425051.db2.gz KEGXFUWDKWNTJK-UHFFFAOYSA-N 2 0 370.475 1.147 20 5 FDBDRP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH+](C)CC1 ZINC000127844920 839744127 /nfs/dbraw/zinc/74/41/27/839744127.db2.gz ZLUOZCHYWBBQBM-MRXNPFEDSA-N 2 0 361.490 1.789 20 5 FDBDRP [NH3+]CCC[C@H]([NH3+])Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001170900809 943230948 /nfs/dbraw/zinc/23/09/48/943230948.db2.gz YKUXGSSJOZTREA-GFCCVEGCSA-N 2 0 354.208 1.763 20 5 FDBDRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)c3ccc([N+](=O)[O-])cc3)ccn2)CC1 ZINC000818962420 943344707 /nfs/dbraw/zinc/34/47/07/943344707.db2.gz QHGBMPNHXGSSAT-GOSISDBHSA-N 2 0 371.441 1.565 20 5 FDBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000819218871 943492761 /nfs/dbraw/zinc/49/27/61/943492761.db2.gz MBECWMLZRBKSJJ-UXHICEINSA-N 2 0 371.437 1.985 20 5 FDBDRP O=[N+]([O-])c1c(NCc2ccccc2N2CC[NH2+]CC2)ncnc1C1C[NH2+]C1 ZINC001171281432 952141623 /nfs/dbraw/zinc/14/16/23/952141623.db2.gz FQBFTTXYVQSCFY-UHFFFAOYSA-N 2 0 369.429 1.093 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870020142 985524977 /nfs/dbraw/zinc/52/49/77/985524977.db2.gz FEDHVRNCLFNDCW-CHWSQXEVSA-N 2 0 352.410 1.545 20 5 FDBDRP CCCc1n[nH]c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870022004 985527944 /nfs/dbraw/zinc/52/79/44/985527944.db2.gz MOAQCCNUOHDBPH-CHWSQXEVSA-N 2 0 366.466 1.082 20 5 FDBDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181569540 174233672 /nfs/dbraw/zinc/23/36/72/174233672.db2.gz JKHKHKRZMNGWRP-INIZCTEOSA-N 2 0 351.447 1.998 20 5 FDBDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176222217 525069146 /nfs/dbraw/zinc/06/91/46/525069146.db2.gz ONRWNYRNFYHYOR-IYBDPMFKSA-N 2 0 350.467 1.282 20 5 FDBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000161960283 525194690 /nfs/dbraw/zinc/19/46/90/525194690.db2.gz RVOFKDNSFXZBFW-CZUORRHYSA-N 2 0 370.475 1.193 20 5 FDBDRP COC(=O)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000414771445 537904750 /nfs/dbraw/zinc/90/47/50/537904750.db2.gz QYPLATXCUOCKJQ-GASCZTMLSA-N 2 0 363.414 1.578 20 5 FDBDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539401 538387663 /nfs/dbraw/zinc/38/76/63/538387663.db2.gz GKHZQXWWOHNUMP-SJORKVTESA-N 2 0 364.494 1.892 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443061022 538388293 /nfs/dbraw/zinc/38/82/93/538388293.db2.gz QOUCUDUHHZMDJL-CYBMUJFWSA-N 2 0 350.419 1.993 20 5 FDBDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080535 547591756 /nfs/dbraw/zinc/59/17/56/547591756.db2.gz QAUWDNJORVEDJM-SJORKVTESA-N 2 0 364.494 1.892 20 5 FDBDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434221 549644401 /nfs/dbraw/zinc/64/44/01/549644401.db2.gz YMHOCTHOTKLGFH-JKSUJKDBSA-N 2 0 367.446 1.425 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000572082800 549837792 /nfs/dbraw/zinc/83/77/92/549837792.db2.gz FUTONTPRPRIDQU-GOSISDBHSA-N 2 0 359.430 1.538 20 5 FDBDRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCO2 ZINC000592184796 551954983 /nfs/dbraw/zinc/95/49/83/551954983.db2.gz RINPYDVLZWCCPB-UHFFFAOYSA-N 2 0 362.430 1.720 20 5 FDBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@@H]1[NH3+] ZINC000592489522 552001053 /nfs/dbraw/zinc/00/10/53/552001053.db2.gz YFMQREOIAJCEQX-JSGCOSHPSA-N 2 0 350.419 1.991 20 5 FDBDRP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091378 552654240 /nfs/dbraw/zinc/65/42/40/552654240.db2.gz JEKPLCMDOODKPZ-UONOGXRCSA-N 2 0 372.473 2.287 20 5 FDBDRP COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262043011 774648298 /nfs/dbraw/zinc/64/82/98/774648298.db2.gz YNAKXTVDGAEYFV-KKUMJFAQSA-N 2 0 363.414 1.706 20 5 FDBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233073 793766224 /nfs/dbraw/zinc/76/62/24/793766224.db2.gz UPNVQSCAPNEECW-MOPGFXCFSA-N 2 0 362.474 1.729 20 5 FDBDRP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313083286 801249359 /nfs/dbraw/zinc/24/93/59/801249359.db2.gz XCWHMCLRXPXULK-WDYCEAGBSA-N 2 0 373.457 1.652 20 5 FDBDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367050777 814269209 /nfs/dbraw/zinc/26/92/09/814269209.db2.gz SIKXMDQJYXXNEU-QGZVFWFLSA-N 2 0 364.494 1.844 20 5 FDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000819218502 943493028 /nfs/dbraw/zinc/49/30/28/943493028.db2.gz HSQWJUWVVALIRX-VQTJNVASSA-N 2 0 371.437 1.985 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1F ZINC001173190165 961958122 /nfs/dbraw/zinc/95/81/22/961958122.db2.gz UVLFCTIQEHPXAI-ZDUSSCGKSA-N 2 0 369.437 1.967 20 5 FDBDRP CC(C)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC[NH+](C)CC1 ZINC000879704905 995204024 /nfs/dbraw/zinc/20/40/24/995204024.db2.gz XTCVLYGDTCXVMI-KRWDZBQOSA-N 2 0 353.467 1.452 20 5 FDBDRP O=C1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000178903794 258339137 /nfs/dbraw/zinc/33/91/37/258339137.db2.gz PDNUCXWYYSJZPF-NJELEJDNSA-N 2 0 374.441 1.131 20 5 FDBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717475 259215295 /nfs/dbraw/zinc/21/52/95/259215295.db2.gz HDTXIYZXSMIXPL-JKSUJKDBSA-N 2 0 364.494 1.891 20 5 FDBDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354392 262009730 /nfs/dbraw/zinc/00/97/30/262009730.db2.gz GRDPBZGMGHUJLG-HNNXBMFYSA-N 2 0 360.458 1.953 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000075625772 522945235 /nfs/dbraw/zinc/94/52/35/522945235.db2.gz CKUFCUKYFOGFOT-SFHVURJKSA-N 2 0 365.478 1.740 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000190002048 537126419 /nfs/dbraw/zinc/12/64/19/537126419.db2.gz VMMMGYNERUFZEJ-WBVHZDCISA-N 2 0 366.462 1.483 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248453425 537184335 /nfs/dbraw/zinc/18/43/35/537184335.db2.gz JZKCXTCAGQWAAC-OAGGEKHMSA-N 2 0 351.447 1.997 20 5 FDBDRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000398019703 537792379 /nfs/dbraw/zinc/79/23/79/537792379.db2.gz JILSZKIOSHDZKQ-KYJSFNMBSA-N 2 0 359.430 1.405 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414805191 537917782 /nfs/dbraw/zinc/91/77/82/537917782.db2.gz PIDYIRLFVZEVAC-KGLIPLIRSA-N 2 0 351.403 1.754 20 5 FDBDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111915 548801280 /nfs/dbraw/zinc/80/12/80/548801280.db2.gz DUGMGFXMYFVWLL-DOTOQJQBSA-N 2 0 367.446 1.425 20 5 FDBDRP CC(C)Oc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582532830 551237260 /nfs/dbraw/zinc/23/72/60/551237260.db2.gz ATLQOLSHYIUZDN-UHFFFAOYSA-N 2 0 366.462 1.947 20 5 FDBDRP COC(=O)COc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994381 552955653 /nfs/dbraw/zinc/95/56/53/552955653.db2.gz LQRQQIOXJRTCFU-OAHLLOKOSA-N 2 0 365.430 1.968 20 5 FDBDRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000602878871 553658442 /nfs/dbraw/zinc/65/84/42/553658442.db2.gz ZTJAXUIJCIRIOO-UHFFFAOYSA-N 2 0 358.442 1.902 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430540757 681080511 /nfs/dbraw/zinc/08/05/11/681080511.db2.gz AMZOSJXPQNJOEA-STQMWFEESA-N 2 0 350.419 1.991 20 5 FDBDRP O=C([C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000430610010 777043206 /nfs/dbraw/zinc/04/32/06/777043206.db2.gz JIVKXGOAKGVDTG-HNNXBMFYSA-N 2 0 362.430 1.117 20 5 FDBDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472597233 787893713 /nfs/dbraw/zinc/89/37/13/787893713.db2.gz BPBLFEPGAVCGLG-IRXDYDNUSA-N 2 0 364.494 1.891 20 5 FDBDRP C[NH+]1CCC(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000414480680 789250318 /nfs/dbraw/zinc/25/03/18/789250318.db2.gz JHGPIUCWHFXJEP-XQRVVYSFSA-N 2 0 374.485 1.994 20 5 FDBDRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339426 813610381 /nfs/dbraw/zinc/61/03/81/813610381.db2.gz YVPIIRVLKNJLJL-HOTGVXAUSA-N 2 0 358.442 1.805 20 5 FDBDRP O=C(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CC[NH+](C2CCCCC2)CC1 ZINC001168991618 928214583 /nfs/dbraw/zinc/21/45/83/928214583.db2.gz ICLHUWRJFKPRHF-CVEARBPZSA-N 2 0 352.479 1.498 20 5 FDBDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818980275 943369346 /nfs/dbraw/zinc/36/93/46/943369346.db2.gz BEXPUVRXZZGIBB-SFHVURJKSA-N 2 0 371.441 1.565 20 5 FDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000819172928 943460037 /nfs/dbraw/zinc/46/00/37/943460037.db2.gz HOICOFXVKWIOKS-CEXWTWQISA-N 2 0 363.458 1.986 20 5 FDBDRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819195828 943470604 /nfs/dbraw/zinc/47/06/04/943470604.db2.gz KSWJOPGAVVZFFS-QGZVFWFLSA-N 2 0 360.414 1.753 20 5 FDBDRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819196111 943470717 /nfs/dbraw/zinc/47/07/17/943470717.db2.gz OZMJRJVRBRTLEB-KRWDZBQOSA-N 2 0 360.414 1.753 20 5 FDBDRP CN(CC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000776592922 967278198 /nfs/dbraw/zinc/27/81/98/967278198.db2.gz CUIRSRNTSKGALE-SFHVURJKSA-N 2 0 350.463 1.586 20 5 FDBDRP C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000362280579 988622047 /nfs/dbraw/zinc/62/20/47/988622047.db2.gz JOGJRVHWDCKWQC-SUMWQHHRSA-N 2 0 355.398 1.947 20 5 FDBDRP Cc1c(NC(=O)CC[NH+]2CCC(O)(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000931485161 1004202199 /nfs/dbraw/zinc/20/21/99/1004202199.db2.gz VYSAVCFGQWACPU-UHFFFAOYSA-N 2 0 364.446 1.620 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485280 1004202592 /nfs/dbraw/zinc/20/25/92/1004202592.db2.gz YZNJAAJYHVBBCL-UHFFFAOYSA-N 2 0 364.446 1.620 20 5 FDBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295104700 184034119 /nfs/dbraw/zinc/03/41/19/184034119.db2.gz KXEIODOSJOAAEE-GDBMZVCRSA-N 2 0 364.446 1.748 20 5 FDBDRP C[C@@H]1C[NH+](CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@@H](C)O1 ZINC000176226146 174059562 /nfs/dbraw/zinc/05/95/62/174059562.db2.gz PBHZKKLEOBYMGT-HUUCEWRRSA-N 2 0 351.451 1.613 20 5 FDBDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181569558 174233518 /nfs/dbraw/zinc/23/35/18/174233518.db2.gz JKHKHKRZMNGWRP-MRXNPFEDSA-N 2 0 351.447 1.998 20 5 FDBDRP CSC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000565947597 547541535 /nfs/dbraw/zinc/54/15/35/547541535.db2.gz OVTKZYGYJXFBCY-AWEZNQCLSA-N 2 0 369.487 1.752 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567891251 548311480 /nfs/dbraw/zinc/31/14/80/548311480.db2.gz STAVCAKMNUUAPG-NWANDNLSSA-N 2 0 362.430 1.991 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000571802022 549769053 /nfs/dbraw/zinc/76/90/53/549769053.db2.gz JTURPDHAUBTZJQ-NWANDNLSSA-N 2 0 362.430 1.991 20 5 FDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000579354540 550864510 /nfs/dbraw/zinc/86/45/10/550864510.db2.gz CQNNZFLYHYJRPI-QEJZJMRPSA-N 2 0 362.430 1.991 20 5 FDBDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593468670 552113566 /nfs/dbraw/zinc/11/35/66/552113566.db2.gz WSPIKPJEHVHGEN-UHFFFAOYSA-N 2 0 366.437 1.761 20 5 FDBDRP O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938456 553178407 /nfs/dbraw/zinc/17/84/07/553178407.db2.gz AWCHIAMMTUMCMW-CABCVRRESA-N 2 0 371.397 1.062 20 5 FDBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cn1 ZINC000602512574 553596425 /nfs/dbraw/zinc/59/64/25/553596425.db2.gz CRNYOCNVHOYBHV-UHFFFAOYSA-N 2 0 363.462 1.661 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000602797413 553640927 /nfs/dbraw/zinc/64/09/27/553640927.db2.gz IRIXLBXVOMZFCQ-HOCLYGCPSA-N 2 0 350.467 1.058 20 5 FDBDRP COC(=O)COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000261948654 672699718 /nfs/dbraw/zinc/69/97/18/672699718.db2.gz NPZVZKMQSVNNEI-LBPRGKRZSA-N 2 0 351.403 1.706 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430540151 681080325 /nfs/dbraw/zinc/08/03/25/681080325.db2.gz GLBBGLCIDOSTSF-OLZOCXBDSA-N 2 0 350.419 1.991 20 5 FDBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000375721058 783152685 /nfs/dbraw/zinc/15/26/85/783152685.db2.gz ULGXFEDCUPCREX-CQSZACIVSA-N 2 0 363.418 1.761 20 5 FDBDRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339427 813610835 /nfs/dbraw/zinc/61/08/35/813610835.db2.gz YVPIIRVLKNJLJL-HZPDHXFCSA-N 2 0 358.442 1.805 20 5 FDBDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420380824 813634811 /nfs/dbraw/zinc/63/48/11/813634811.db2.gz OIBKEIJPUXOWCC-MRXNPFEDSA-N 2 0 373.417 1.311 20 5 FDBDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367110222 814328450 /nfs/dbraw/zinc/32/84/50/814328450.db2.gz LTQUWHUAJNHOAH-KRWDZBQOSA-N 2 0 362.474 1.933 20 5 FDBDRP C[NH+](C)CCOCc1ncn2c1C[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021911 928244395 /nfs/dbraw/zinc/24/43/95/928244395.db2.gz BBRYGUTXXMIGSD-HOTGVXAUSA-N 2 0 365.478 1.612 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1F ZINC001173175965 961952276 /nfs/dbraw/zinc/95/22/76/961952276.db2.gz WIPMSMWPBWMELM-CQSZACIVSA-N 2 0 368.453 1.901 20 5 FDBDRP Cc1sc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000870024110 985534143 /nfs/dbraw/zinc/53/41/43/985534143.db2.gz SVNIBJQVHWLJJT-CHWSQXEVSA-N 2 0 354.476 1.776 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)C2)c1 ZINC000877624816 993389430 /nfs/dbraw/zinc/38/94/30/993389430.db2.gz SITCRGLZVXFSBK-TVPLGVNVSA-N 2 0 371.441 1.851 20 5 FDBDRP C[N@H+](CCCO)C1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000265203554 179311134 /nfs/dbraw/zinc/31/11/34/179311134.db2.gz JYFOSDVIFGCQGO-UHFFFAOYSA-N 2 0 364.446 1.702 20 5 FDBDRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542716985 541452665 /nfs/dbraw/zinc/45/26/65/541452665.db2.gz ULDQQPXFUXUZEZ-CYBMUJFWSA-N 2 0 354.426 1.789 20 5 FDBDRP C[C@H]([NH2+]CC(=O)NCC(C)(C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296757436 184197692 /nfs/dbraw/zinc/19/76/92/184197692.db2.gz QGWMHZBNYRIRFL-AWEZNQCLSA-N 2 0 364.446 1.472 20 5 FDBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717474 259215342 /nfs/dbraw/zinc/21/53/42/259215342.db2.gz HDTXIYZXSMIXPL-HZPDHXFCSA-N 2 0 364.494 1.891 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168923823 525621697 /nfs/dbraw/zinc/62/16/97/525621697.db2.gz WQXZJFGEOKSZDZ-QGZVFWFLSA-N 2 0 364.490 1.944 20 5 FDBDRP CC[N@@H+]1CC[C@@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186582 526086923 /nfs/dbraw/zinc/08/69/23/526086923.db2.gz JZKCXTCAGQWAAC-OWCLPIDISA-N 2 0 351.447 1.997 20 5 FDBDRP O=C1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C2CC[NH2+]CC2)N1 ZINC000414994777 537952246 /nfs/dbraw/zinc/95/22/46/537952246.db2.gz VIRZERZIKIAZOP-HSLQUGRPSA-N 2 0 358.442 1.844 20 5 FDBDRP O=C1N[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397456 538285957 /nfs/dbraw/zinc/28/59/57/538285957.db2.gz FMMPYLLLQLWILG-MSOLQXFVSA-N 2 0 373.457 1.357 20 5 FDBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000592487882 552000570 /nfs/dbraw/zinc/00/05/70/552000570.db2.gz AELBKEZACGNJNY-TZMCWYRMSA-N 2 0 350.419 1.991 20 5 FDBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489196 552001008 /nfs/dbraw/zinc/00/10/08/552001008.db2.gz SKXPKQPFPUPUGF-TZMCWYRMSA-N 2 0 350.419 1.991 20 5 FDBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000595904904 552631503 /nfs/dbraw/zinc/63/15/03/552631503.db2.gz FJEIETBBIROXNN-UHFFFAOYSA-N 2 0 373.461 1.861 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602783304 553637989 /nfs/dbraw/zinc/63/79/89/553637989.db2.gz KQWABUSKOUFKAR-MRXNPFEDSA-N 2 0 350.467 1.200 20 5 FDBDRP O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000603279179 553751966 /nfs/dbraw/zinc/75/19/66/553751966.db2.gz PBPYCGAFNFKORA-QWHCGFSZSA-N 2 0 373.461 1.682 20 5 FDBDRP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992526 672707884 /nfs/dbraw/zinc/70/78/84/672707884.db2.gz SOCBETWJPXPKIM-CYBMUJFWSA-N 2 0 351.403 1.707 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419239 680443595 /nfs/dbraw/zinc/44/35/95/680443595.db2.gz XKEIEBTZBZOLAC-STQMWFEESA-N 2 0 350.419 1.849 20 5 FDBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348089 795789496 /nfs/dbraw/zinc/78/94/96/795789496.db2.gz QDVKIWPZJVQKBA-OIISXLGYSA-N 2 0 364.446 1.236 20 5 FDBDRP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000516454935 816834420 /nfs/dbraw/zinc/83/44/20/816834420.db2.gz ZPXFNOWKGGMHTG-RDTXWAMCSA-N 2 0 374.445 1.362 20 5 FDBDRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CC[NH+](C)CC1 ZINC000518475269 817889144 /nfs/dbraw/zinc/88/91/44/817889144.db2.gz WJZIMIHUWZIDHN-IXDOHACOSA-N 2 0 364.494 1.748 20 5 FDBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCC[NH+]1CCN(C)CC1 ZINC000492806029 870380821 /nfs/dbraw/zinc/38/08/21/870380821.db2.gz HPKUSRNGDMKDIC-UHFFFAOYSA-N 2 0 363.462 1.411 20 5 FDBDRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049605 928255396 /nfs/dbraw/zinc/25/53/96/928255396.db2.gz WUGNHGOFIQXCHW-ZMSDIMECSA-N 2 0 353.463 1.781 20 5 FDBDRP CC(C)[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000819062451 943425871 /nfs/dbraw/zinc/42/58/71/943425871.db2.gz PYJOLOLDHFOMTN-ZWKOTPCHSA-N 2 0 350.463 1.490 20 5 FDBDRP [NH2+]=C(NCCCC[NH3+])NC1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173011005 961884567 /nfs/dbraw/zinc/88/45/67/961884567.db2.gz NEHNPNWZHSZFRU-UHFFFAOYSA-N 2 0 370.404 1.695 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024226 985534114 /nfs/dbraw/zinc/53/41/14/985534114.db2.gz LLQMJWKLNJWSBU-ZIAGYGMSSA-N 2 0 364.446 1.415 20 5 FDBDRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329941 990362368 /nfs/dbraw/zinc/36/23/68/990362368.db2.gz PMOOEELIORGBKN-YOEHRIQHSA-N 2 0 363.462 1.349 20 5 FDBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877016713 993012070 /nfs/dbraw/zinc/01/20/70/993012070.db2.gz OWHSYIYHFPSDNY-QQFBHYJXSA-N 2 0 350.467 1.358 20 5 FDBDRP CN1CCN([C@H]2CCCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520563 178363660 /nfs/dbraw/zinc/36/36/60/178363660.db2.gz JQISUZIPZWCDDT-RBUKOAKNSA-N 2 0 362.474 1.730 20 5 FDBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299533444 259004303 /nfs/dbraw/zinc/00/43/03/259004303.db2.gz HGOPVOUVPFPNRU-UHFFFAOYSA-N 2 0 358.402 1.260 20 5 FDBDRP CC[NH+](CC)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440590 537182172 /nfs/dbraw/zinc/18/21/72/537182172.db2.gz DCMZEPUSDKAEIZ-JKSUJKDBSA-N 2 0 351.447 1.998 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567891249 548311317 /nfs/dbraw/zinc/31/13/17/548311317.db2.gz STAVCAKMNUUAPG-AEGPPILISA-N 2 0 362.430 1.991 20 5 FDBDRP COC(=O)COc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000574695501 550356293 /nfs/dbraw/zinc/35/62/93/550356293.db2.gz PVIVOZPPUOPOHT-UHFFFAOYSA-N 2 0 351.403 1.707 20 5 FDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579354538 550864556 /nfs/dbraw/zinc/86/45/56/550864556.db2.gz CQNNZFLYHYJRPI-CFVMTHIKSA-N 2 0 362.430 1.991 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602783301 553637648 /nfs/dbraw/zinc/63/76/48/553637648.db2.gz KQWABUSKOUFKAR-INIZCTEOSA-N 2 0 350.467 1.200 20 5 FDBDRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000282278615 675618272 /nfs/dbraw/zinc/61/82/72/675618272.db2.gz IBUAVQYJPFUTFG-UHFFFAOYSA-N 2 0 352.435 1.425 20 5 FDBDRP COCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423402307 680792093 /nfs/dbraw/zinc/79/20/93/680792093.db2.gz HAICBUJOLMKBLK-GJZGRUSLSA-N 2 0 351.451 1.881 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414835258 679370898 /nfs/dbraw/zinc/37/08/98/679370898.db2.gz IEFOUARXFFSYKA-ZDUSSCGKSA-N 2 0 351.403 1.626 20 5 FDBDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467861740 684880887 /nfs/dbraw/zinc/88/08/87/684880887.db2.gz FUUCUHBTQHWCRK-MRXNPFEDSA-N 2 0 350.463 1.636 20 5 FDBDRP O=C(NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261910594 774546728 /nfs/dbraw/zinc/54/67/28/774546728.db2.gz SZCLEUHZTMZRAL-WMZOPIPTSA-N 2 0 360.458 1.718 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420340497 813610749 /nfs/dbraw/zinc/61/07/49/813610749.db2.gz PNZKEYFGKBBVDS-OKILXGFUSA-N 2 0 362.430 1.863 20 5 FDBDRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1OC ZINC000531357665 830705959 /nfs/dbraw/zinc/70/59/59/830705959.db2.gz TWUFJMQLERKKQO-UHFFFAOYSA-N 2 0 368.434 1.177 20 5 FDBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000489882199 860151590 /nfs/dbraw/zinc/15/15/90/860151590.db2.gz GXAIAOGCKADTDT-QGZVFWFLSA-N 2 0 371.441 1.772 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489910209 860196877 /nfs/dbraw/zinc/19/68/77/860196877.db2.gz VNQDHMMVDUURPH-INIZCTEOSA-N 2 0 361.446 1.211 20 5 FDBDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971857 943109603 /nfs/dbraw/zinc/10/96/03/943109603.db2.gz IBUTXNRZMHZJSX-IINYFYTJSA-N 2 0 361.368 1.664 20 5 FDBDRP Cc1c(Cl)nc(-c2ccc([N+](=O)[O-])cc2)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170897943 943212623 /nfs/dbraw/zinc/21/26/23/943212623.db2.gz QSMZYSZEPYBLOL-LBPRGKRZSA-N 2 0 350.810 1.871 20 5 FDBDRP CNC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000866012918 974622007 /nfs/dbraw/zinc/62/20/07/974622007.db2.gz VVMQVYBDAJTSKX-HUUCEWRRSA-N 2 0 363.462 1.130 20 5 FDBDRP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000469998251 993927995 /nfs/dbraw/zinc/92/79/95/993927995.db2.gz FFJPHQAXIKRANJ-OAHLLOKOSA-N 2 0 362.430 1.247 20 5 FDBDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]2C1 ZINC000931437547 1004161490 /nfs/dbraw/zinc/16/14/90/1004161490.db2.gz LHMJOWZADVIHSV-KGLIPLIRSA-N 2 0 360.414 1.776 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092615590 172302106 /nfs/dbraw/zinc/30/21/06/172302106.db2.gz IEQIKFWENARXOW-FNORWQNLSA-N 2 0 360.458 1.998 20 5 FDBDRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH+](C)CC1 ZINC000331719025 259215229 /nfs/dbraw/zinc/21/52/29/259215229.db2.gz IEYKFPSNIVMKSW-OWCLPIDISA-N 2 0 350.467 1.501 20 5 FDBDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000056524654 521877540 /nfs/dbraw/zinc/87/75/40/521877540.db2.gz NIHJTYFNCORPPB-KRWDZBQOSA-N 2 0 351.447 1.998 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000161960148 525194885 /nfs/dbraw/zinc/19/48/85/525194885.db2.gz RVOFKDNSFXZBFW-CJNGLKHVSA-N 2 0 370.475 1.193 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000162103064 525214161 /nfs/dbraw/zinc/21/41/61/525214161.db2.gz BFNUXFZCUIRKCM-CJNGLKHVSA-N 2 0 370.475 1.193 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000101518422 525223540 /nfs/dbraw/zinc/22/35/40/525223540.db2.gz DAOVUHSMXJWDTK-CQSZACIVSA-N 2 0 366.466 1.125 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000104533843 525418384 /nfs/dbraw/zinc/41/83/84/525418384.db2.gz SSMGRONAOHTTNC-UHFFFAOYSA-N 2 0 374.445 1.346 20 5 FDBDRP C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000397944532 537791632 /nfs/dbraw/zinc/79/16/32/537791632.db2.gz LJLBILDMVFUGMX-RBUKOAKNSA-N 2 0 373.457 1.797 20 5 FDBDRP C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000397944531 537792602 /nfs/dbraw/zinc/79/26/02/537792602.db2.gz LJLBILDMVFUGMX-OALUTQOASA-N 2 0 373.457 1.797 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420356862 538277715 /nfs/dbraw/zinc/27/77/15/538277715.db2.gz GWLJDTWYEIZJIA-HNNXBMFYSA-N 2 0 350.419 1.910 20 5 FDBDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610803 538669814 /nfs/dbraw/zinc/66/98/14/538669814.db2.gz TVTLSKUVXPVWHQ-SJORKVTESA-N 2 0 364.494 1.891 20 5 FDBDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434219 549644561 /nfs/dbraw/zinc/64/45/61/549644561.db2.gz YMHOCTHOTKLGFH-HOTGVXAUSA-N 2 0 367.446 1.425 20 5 FDBDRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000591758039 551906587 /nfs/dbraw/zinc/90/65/87/551906587.db2.gz PZOCNTMUPJOOTC-OAHLLOKOSA-N 2 0 351.382 1.143 20 5 FDBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000593728989 552184578 /nfs/dbraw/zinc/18/45/78/552184578.db2.gz CGTLUMLJYLIWKX-UGSOOPFHSA-N 2 0 360.414 1.954 20 5 FDBDRP C[C@H](CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000934044266 780642861 /nfs/dbraw/zinc/64/28/61/780642861.db2.gz SJXKXOVBZLJTJT-CYBMUJFWSA-N 2 0 364.450 1.418 20 5 FDBDRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892562287 787311484 /nfs/dbraw/zinc/31/14/84/787311484.db2.gz AREDKMXHBHPBCY-UHFFFAOYSA-N 2 0 366.462 1.816 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415004761 791199377 /nfs/dbraw/zinc/19/93/77/791199377.db2.gz IGLCXFKIPBTMHA-LSDHHAIUSA-N 2 0 363.414 1.624 20 5 FDBDRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000905533933 851998690 /nfs/dbraw/zinc/99/86/90/851998690.db2.gz NOZNXDLWVXAHRM-WIHSUSGWSA-N 2 0 351.451 1.539 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489910212 860197326 /nfs/dbraw/zinc/19/73/26/860197326.db2.gz VNQDHMMVDUURPH-MRXNPFEDSA-N 2 0 361.446 1.211 20 5 FDBDRP [NH3+]CCC[C@@H]([NH3+])Nc1c2ccc(Br)cc2ncc1[N+](=O)[O-] ZINC001170900816 943230648 /nfs/dbraw/zinc/23/06/48/943230648.db2.gz YKUXGSSJOZTREA-LBPRGKRZSA-N 2 0 354.208 1.763 20 5 FDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000819218504 943492886 /nfs/dbraw/zinc/49/28/86/943492886.db2.gz HSQWJUWVVALIRX-WOJBJXKFSA-N 2 0 371.437 1.985 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C[NH3+] ZINC000846226114 950737710 /nfs/dbraw/zinc/73/77/10/950737710.db2.gz IDPIQICDDSMSET-IAQYHMDHSA-N 2 0 354.382 1.358 20 5 FDBDRP CC(C)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CC[NH+](C)CC1 ZINC000879704906 995203741 /nfs/dbraw/zinc/20/37/41/995203741.db2.gz XTCVLYGDTCXVMI-QGZVFWFLSA-N 2 0 353.467 1.452 20 5 FDBDRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000077780134 523462976 /nfs/dbraw/zinc/46/29/76/523462976.db2.gz RGYQEXSYZRPNSZ-AWEZNQCLSA-N 2 0 351.451 1.791 20 5 FDBDRP Cc1sc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000123658758 524801051 /nfs/dbraw/zinc/80/10/51/524801051.db2.gz ISEVVLBKSWSUIJ-UHFFFAOYSA-N 2 0 364.493 1.079 20 5 FDBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000579222542 550848891 /nfs/dbraw/zinc/84/88/91/550848891.db2.gz XYOFHAHFXSHOCB-UXLLHSPISA-N 2 0 353.467 1.500 20 5 FDBDRP Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593485975 552116203 /nfs/dbraw/zinc/11/62/03/552116203.db2.gz DYHIDSKYHHAJEP-UHFFFAOYSA-N 2 0 357.414 1.662 20 5 FDBDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594963361 552427921 /nfs/dbraw/zinc/42/79/21/552427921.db2.gz JGIPXFCHTMWLQD-AWEZNQCLSA-N 2 0 366.462 1.728 20 5 FDBDRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602552978 553604600 /nfs/dbraw/zinc/60/46/00/553604600.db2.gz BKMIAKWFILFYGB-UHFFFAOYSA-N 2 0 364.265 1.965 20 5 FDBDRP C[NH2+]CCC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000420299739 680428251 /nfs/dbraw/zinc/42/82/51/680428251.db2.gz BORIXCWARALUBL-UHFFFAOYSA-N 2 0 355.460 1.690 20 5 FDBDRP COc1ccc(NC(=O)CC[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430966812 681102171 /nfs/dbraw/zinc/10/21/71/681102171.db2.gz QBXQTNBSRRKZIM-GFCCVEGCSA-N 2 0 350.419 1.991 20 5 FDBDRP O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CC[NH2+]CC1 ZINC000470002162 684998358 /nfs/dbraw/zinc/99/83/58/684998358.db2.gz HEFDDJXAXFSJNL-AWEZNQCLSA-N 2 0 366.849 1.892 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347683 813613235 /nfs/dbraw/zinc/61/32/35/813613235.db2.gz ZCZKIJWDMVSZAW-MCIONIFRSA-N 2 0 362.430 1.862 20 5 FDBDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367110223 814328252 /nfs/dbraw/zinc/32/82/52/814328252.db2.gz LTQUWHUAJNHOAH-QGZVFWFLSA-N 2 0 362.474 1.933 20 5 FDBDRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000818988450 943374913 /nfs/dbraw/zinc/37/49/13/943374913.db2.gz PZMXPMHUCRVJPR-LJQANCHMSA-N 2 0 362.474 1.776 20 5 FDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000819172931 943459968 /nfs/dbraw/zinc/45/99/68/943459968.db2.gz HOICOFXVKWIOKS-IPMKNSEASA-N 2 0 363.458 1.986 20 5 FDBDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3ccc([N+](=O)[O-])n3)C2)ccn1 ZINC000856588963 971238951 /nfs/dbraw/zinc/23/89/51/971238951.db2.gz DDWPTTXYWQLUPM-QGZVFWFLSA-N 2 0 374.445 1.791 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1F ZINC001173175958 961952498 /nfs/dbraw/zinc/95/24/98/961952498.db2.gz WIPMSMWPBWMELM-AWEZNQCLSA-N 2 0 368.453 1.901 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H]1C[NH+](C)C ZINC000870023037 985531290 /nfs/dbraw/zinc/53/12/90/985531290.db2.gz JOUBXOMKFDHIKD-HUUCEWRRSA-N 2 0 373.457 1.888 20 5 FDBDRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)ccn2)CC1 ZINC000876937181 992974896 /nfs/dbraw/zinc/97/48/96/992974896.db2.gz RBFNJRFWIBIJMU-UHFFFAOYSA-N 2 0 371.445 1.431 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)c1 ZINC000877089783 993041755 /nfs/dbraw/zinc/04/17/55/993041755.db2.gz POFMOCHZLKKBRA-UQVLAFNGSA-N 2 0 363.462 1.852 20 5 FDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCCN2CC[NH2+]CC2)n1 ZINC000925845318 995794948 /nfs/dbraw/zinc/79/49/48/995794948.db2.gz GFHLOIHXVYYZNE-IAGOWNOFSA-N 2 0 364.494 1.940 20 5 FDBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC4CC[NH2+]CC4)CC3)nc2c1 ZINC000297360696 184262088 /nfs/dbraw/zinc/26/20/88/184262088.db2.gz KQYWTQKKLSEOMD-UHFFFAOYSA-N 2 0 358.446 1.983 20 5 FDBDRP CN1CC[NH+](CC2(C)CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000368822889 260242232 /nfs/dbraw/zinc/24/22/32/260242232.db2.gz LSXIJIJGPXUCLF-UHFFFAOYSA-N 2 0 350.467 1.141 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000104532818 525416772 /nfs/dbraw/zinc/41/67/72/525416772.db2.gz PCIOVLMDIWOXMF-UHFFFAOYSA-N 2 0 363.462 1.735 20 5 FDBDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000582058149 551169882 /nfs/dbraw/zinc/16/98/82/551169882.db2.gz QQIPHFRMVGGSIV-KRWDZBQOSA-N 2 0 353.467 1.500 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C[NH3+] ZINC000593736679 552187329 /nfs/dbraw/zinc/18/73/29/552187329.db2.gz DUHRAFPJNXSSKM-MLGOLLRUSA-N 2 0 366.418 1.228 20 5 FDBDRP CC(C)[NH+]1CCN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000371348990 677663812 /nfs/dbraw/zinc/66/38/12/677663812.db2.gz DWNRSTKKFSCHHH-UHFFFAOYSA-N 2 0 350.467 1.282 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420417881 680442793 /nfs/dbraw/zinc/44/27/93/680442793.db2.gz WOAJQAHFTPUADL-CHWSQXEVSA-N 2 0 350.419 1.849 20 5 FDBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447522212 682553742 /nfs/dbraw/zinc/55/37/42/682553742.db2.gz YCIZAHSKHHGKSI-HOTGVXAUSA-N 2 0 350.467 1.502 20 5 FDBDRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000420372160 813632815 /nfs/dbraw/zinc/63/28/15/813632815.db2.gz LGLTVMQERXQWPP-IRXDYDNUSA-N 2 0 359.430 1.359 20 5 FDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000451991282 830487347 /nfs/dbraw/zinc/48/73/47/830487347.db2.gz SGEBPAPIWJCSJZ-UHFFFAOYSA-N 2 0 360.462 1.977 20 5 FDBDRP CN(C)C(=O)C1CC[NH+](C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169021075 928243446 /nfs/dbraw/zinc/24/34/46/928243446.db2.gz JSBHYWFLMCEXKW-QAPCUYQASA-N 2 0 366.506 1.696 20 5 FDBDRP CN(C)C(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169021070 928243608 /nfs/dbraw/zinc/24/36/08/928243608.db2.gz JSBHYWFLMCEXKW-CRAIPNDOSA-N 2 0 366.506 1.696 20 5 FDBDRP CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000819062448 943425912 /nfs/dbraw/zinc/42/59/12/943425912.db2.gz PYJOLOLDHFOMTN-MSOLQXFVSA-N 2 0 350.463 1.490 20 5 FDBDRP C[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000362280578 988621802 /nfs/dbraw/zinc/62/18/02/988621802.db2.gz JOGJRVHWDCKWQC-GUYCJALGSA-N 2 0 355.398 1.947 20 5 FDBDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348087 989545186 /nfs/dbraw/zinc/54/51/86/989545186.db2.gz QDVKIWPZJVQKBA-DJIMGWMZSA-N 2 0 364.446 1.236 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484019 1004200236 /nfs/dbraw/zinc/20/02/36/1004200236.db2.gz JQXVPALUZAKQQX-UHFFFAOYSA-N 2 0 364.446 1.620 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778264757 1005789966 /nfs/dbraw/zinc/78/99/66/1005789966.db2.gz SCAUAMBLBSFMKY-UHFFFAOYSA-N 2 0 358.389 1.638 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000057718305 522140981 /nfs/dbraw/zinc/14/09/81/522140981.db2.gz DEIGQEYVQVULPO-UHFFFAOYSA-N 2 0 372.491 1.489 20 5 FDBDRP COc1ccc(OCC[N@H+](C)CCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000182963859 535895641 /nfs/dbraw/zinc/89/56/41/535895641.db2.gz PJZKFPIVIWULAW-UHFFFAOYSA-N 2 0 366.462 1.552 20 5 FDBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182984497 535898815 /nfs/dbraw/zinc/89/88/15/535898815.db2.gz IYUUDEGQTVTKEM-UHFFFAOYSA-N 2 0 351.451 1.616 20 5 FDBDRP O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000414990022 537950484 /nfs/dbraw/zinc/95/04/84/537950484.db2.gz OHKLNAFHFBBFTF-WBVHZDCISA-N 2 0 366.849 1.985 20 5 FDBDRP NC(=O)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420377801 538282258 /nfs/dbraw/zinc/28/22/58/538282258.db2.gz LFNAJULFQTYCFN-DOTOQJQBSA-N 2 0 362.430 1.412 20 5 FDBDRP COCC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423393704 538392662 /nfs/dbraw/zinc/39/26/62/538392662.db2.gz PNLJMKFAYIZNPA-AWEZNQCLSA-N 2 0 364.446 1.918 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000564281593 546868135 /nfs/dbraw/zinc/86/81/35/546868135.db2.gz WYBRTQFJFRANBH-LJQANCHMSA-N 2 0 373.457 1.928 20 5 FDBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC[C@H]1[NH3+] ZINC000592489525 552001000 /nfs/dbraw/zinc/00/10/00/552001000.db2.gz YFMQREOIAJCEQX-TZMCWYRMSA-N 2 0 350.419 1.991 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597097596 552746478 /nfs/dbraw/zinc/74/64/78/552746478.db2.gz OSXCFXAWQDKTQA-UHFFFAOYSA-N 2 0 372.857 1.788 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967557 553496932 /nfs/dbraw/zinc/49/69/32/553496932.db2.gz KLONVVKHVHFBMF-HHXXYDBFSA-N 2 0 373.457 1.510 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415010491 679377600 /nfs/dbraw/zinc/37/76/00/679377600.db2.gz UYGKNXDRHBJQFN-JSGCOSHPSA-N 2 0 351.403 1.754 20 5 FDBDRP CN1CCN(c2cc[nH+]cc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000517651935 817523486 /nfs/dbraw/zinc/52/34/86/817523486.db2.gz SQOMKPQOPIWESJ-UHFFFAOYSA-N 2 0 371.397 1.759 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000894871095 818945503 /nfs/dbraw/zinc/94/55/03/818945503.db2.gz MKJRXZPRQJOTKI-CHWSQXEVSA-N 2 0 351.407 1.679 20 5 FDBDRP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@@H]2CC[NH+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741089 822724770 /nfs/dbraw/zinc/72/47/70/822724770.db2.gz YXDSIAXNTRJBFA-REWJHTLYSA-N 2 0 363.466 1.702 20 5 FDBDRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448758929 829233986 /nfs/dbraw/zinc/23/39/86/829233986.db2.gz BUTISIGQDQCARH-ZDUSSCGKSA-N 2 0 355.398 1.995 20 5 FDBDRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049604 928255042 /nfs/dbraw/zinc/25/50/42/928255042.db2.gz WUGNHGOFIQXCHW-UXLLHSPISA-N 2 0 353.463 1.781 20 5 FDBDRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000818988273 943375011 /nfs/dbraw/zinc/37/50/11/943375011.db2.gz NPZATHQZZKXPQV-IBGZPJMESA-N 2 0 362.474 1.776 20 5 FDBDRP Cc1nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2cc([N+](=O)[O-])ccc12 ZINC000872636253 987890787 /nfs/dbraw/zinc/89/07/87/987890787.db2.gz KHCRABLHHRQFDV-HZPDHXFCSA-N 2 0 374.489 1.882 20 5 FDBDRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329940 990362720 /nfs/dbraw/zinc/36/27/20/990362720.db2.gz PMOOEELIORGBKN-WMLDXEAASA-N 2 0 363.462 1.349 20 5 FDBDRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000367251439 260016372 /nfs/dbraw/zinc/01/63/72/260016372.db2.gz NZTPWKCHIUYZKO-UHFFFAOYSA-N 2 0 364.494 1.844 20 5 FDBDRP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000090015471 524574398 /nfs/dbraw/zinc/57/43/98/524574398.db2.gz LCXVNOAEVGUCHJ-CYBMUJFWSA-N 2 0 370.475 1.193 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114478658 524816532 /nfs/dbraw/zinc/81/65/32/524816532.db2.gz IUNQSXACZUGWFB-ZDUSSCGKSA-N 2 0 350.419 1.816 20 5 FDBDRP C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000119047659 525617593 /nfs/dbraw/zinc/61/75/93/525617593.db2.gz KTJYCOHSPLVVAT-MLGOLLRUSA-N 2 0 359.386 1.229 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342879 538269801 /nfs/dbraw/zinc/26/98/01/538269801.db2.gz QJILAMHINJTEPE-ZIAGYGMSSA-N 2 0 362.430 1.863 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420353968 538274927 /nfs/dbraw/zinc/27/49/27/538274927.db2.gz COMAABOHIUMQDW-OAHLLOKOSA-N 2 0 350.419 1.910 20 5 FDBDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539272 538388187 /nfs/dbraw/zinc/38/81/87/538388187.db2.gz GKHZQXWWOHNUMP-IRXDYDNUSA-N 2 0 364.494 1.892 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000564281592 546867694 /nfs/dbraw/zinc/86/76/94/546867694.db2.gz WYBRTQFJFRANBH-IBGZPJMESA-N 2 0 373.457 1.928 20 5 FDBDRP COc1ccc(NC(=O)CC[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000569981944 549119462 /nfs/dbraw/zinc/11/94/62/549119462.db2.gz ZPXLSIMWNUWYEQ-UHFFFAOYSA-N 2 0 350.419 1.993 20 5 FDBDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000571434220 549644232 /nfs/dbraw/zinc/64/42/32/549644232.db2.gz YMHOCTHOTKLGFH-HZPDHXFCSA-N 2 0 367.446 1.425 20 5 FDBDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000574442916 550314875 /nfs/dbraw/zinc/31/48/75/550314875.db2.gz CUFFDFMIKXVZFD-GOSISDBHSA-N 2 0 361.446 1.782 20 5 FDBDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000579222539 550848917 /nfs/dbraw/zinc/84/89/17/550848917.db2.gz XYOFHAHFXSHOCB-BFYDXBDKSA-N 2 0 353.467 1.500 20 5 FDBDRP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091373 552654175 /nfs/dbraw/zinc/65/41/75/552654175.db2.gz JEKPLCMDOODKPZ-KBPBESRZSA-N 2 0 372.473 2.287 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430946315 681101192 /nfs/dbraw/zinc/10/11/92/681101192.db2.gz VSMOEHYJSGUJHZ-GFCCVEGCSA-N 2 0 350.419 1.991 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000505773795 688528392 /nfs/dbraw/zinc/52/83/92/688528392.db2.gz RQSXMWRMYLCXDN-AWEZNQCLSA-N 2 0 351.451 1.421 20 5 FDBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000531976392 694858399 /nfs/dbraw/zinc/85/83/99/694858399.db2.gz QHIQOSYGROHQOW-ZDUSSCGKSA-N 2 0 350.419 1.358 20 5 FDBDRP COc1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000518375952 817856046 /nfs/dbraw/zinc/85/60/46/817856046.db2.gz KVQBTDPCSOKEFV-CQSZACIVSA-N 2 0 365.430 1.670 20 5 FDBDRP [NH3+]CCN(c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC001170625254 941089265 /nfs/dbraw/zinc/08/92/65/941089265.db2.gz TZVMOPNQFLXUGN-UHFFFAOYSA-N 2 0 372.473 1.806 20 5 FDBDRP CNc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000870024048 985534371 /nfs/dbraw/zinc/53/43/71/985534371.db2.gz IJKBHVYOGIUVNU-HUUCEWRRSA-N 2 0 363.462 1.448 20 5 FDBDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000176226111 174059602 /nfs/dbraw/zinc/05/96/02/174059602.db2.gz PBHZKKLEOBYMGT-GASCZTMLSA-N 2 0 351.451 1.613 20 5 FDBDRP C[NH+]1CCCN(c2nc(N3CCC[N@@H+](C)CC3)sc2[N+](=O)[O-])CC1 ZINC000301274652 259024839 /nfs/dbraw/zinc/02/48/39/259024839.db2.gz IITCNXULLKXFFA-UHFFFAOYSA-N 2 0 354.480 1.335 20 5 FDBDRP CN1CCN(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C(=O)C1 ZINC000374754922 261188785 /nfs/dbraw/zinc/18/87/85/261188785.db2.gz ZVAVCTWXBJROQE-UHFFFAOYSA-N 2 0 362.430 1.212 20 5 FDBDRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000168924289 525621778 /nfs/dbraw/zinc/62/17/78/525621778.db2.gz LZICRYLZUHHKST-KRWDZBQOSA-N 2 0 364.490 1.944 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414805189 537917572 /nfs/dbraw/zinc/91/75/72/537917572.db2.gz PIDYIRLFVZEVAC-KBPBESRZSA-N 2 0 351.403 1.754 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625688 538325096 /nfs/dbraw/zinc/32/50/96/538325096.db2.gz CJNRSQXRGZBKJS-AGIUHOORSA-N 2 0 350.419 1.847 20 5 FDBDRP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905574 538850950 /nfs/dbraw/zinc/85/09/50/538850950.db2.gz KMZNJJSVOPSRSZ-DZGCQCFKSA-N 2 0 364.446 1.984 20 5 FDBDRP C[NH+]1CCN(C(C)(C)C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000591739205 551904982 /nfs/dbraw/zinc/90/49/82/551904982.db2.gz AKSCSPIYTAPVJY-UHFFFAOYSA-N 2 0 363.462 1.539 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470965 551998949 /nfs/dbraw/zinc/99/89/49/551998949.db2.gz PNKVCSIFFFAYEV-MGPQQGTHSA-N 2 0 353.444 1.346 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593728984 552184573 /nfs/dbraw/zinc/18/45/73/552184573.db2.gz CCCDRKGQLOUXPB-UGSOOPFHSA-N 2 0 362.430 1.993 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+] ZINC000593737155 552187823 /nfs/dbraw/zinc/18/78/23/552187823.db2.gz QFYROCJWVMWNEI-MLGOLLRUSA-N 2 0 364.402 1.188 20 5 FDBDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567995 555651614 /nfs/dbraw/zinc/65/16/14/555651614.db2.gz GTZCOKHDOUHKLW-BRWVUGGUSA-N 2 0 365.478 1.957 20 5 FDBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000157887861 671973981 /nfs/dbraw/zinc/97/39/81/671973981.db2.gz KZZWGMSTVOQIOJ-UHFFFAOYSA-N 2 0 357.252 1.694 20 5 FDBDRP C[C@@H]1C[NH+](CC2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C[C@@H](C)O1 ZINC000365326229 677356311 /nfs/dbraw/zinc/35/63/11/677356311.db2.gz JTOQDDYZUAUTAN-HUUCEWRRSA-N 2 0 351.451 1.613 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433133232 681174113 /nfs/dbraw/zinc/17/41/13/681174113.db2.gz YRSMBQHISTVYCC-UHFFFAOYSA-N 2 0 350.419 1.423 20 5 FDBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528213 682554070 /nfs/dbraw/zinc/55/40/70/682554070.db2.gz IHAQEWIERKEWPY-PMPSAXMXSA-N 2 0 350.467 1.501 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1 ZINC000430606972 776912216 /nfs/dbraw/zinc/91/22/16/776912216.db2.gz AVQVEIIHOQRFIU-OAHLLOKOSA-N 2 0 362.430 1.117 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000277032329 780676009 /nfs/dbraw/zinc/67/60/09/780676009.db2.gz GOWHNDGPHOHHGI-UHFFFAOYSA-N 2 0 366.462 1.949 20 5 FDBDRP COC[C@@]1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000414934988 791091363 /nfs/dbraw/zinc/09/13/63/791091363.db2.gz AQZISEQZQLXUAW-SFHVURJKSA-N 2 0 359.430 1.854 20 5 FDBDRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)C1 ZINC000923311802 888882145 /nfs/dbraw/zinc/88/21/45/888882145.db2.gz XLSCLKBWWUZICY-LKTVYLICSA-N 2 0 374.363 1.586 20 5 FDBDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024002 928247431 /nfs/dbraw/zinc/24/74/31/928247431.db2.gz WPKMOXHYHVYUSP-WBVHZDCISA-N 2 0 362.474 1.256 20 5 FDBDRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001170871618 942803670 /nfs/dbraw/zinc/80/36/70/942803670.db2.gz HAWGAVLVCSIEHM-ZIAGYGMSSA-N 2 0 366.418 1.098 20 5 FDBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819058049 943399080 /nfs/dbraw/zinc/39/90/80/943399080.db2.gz DGVAVDGQPLGWSO-CRAIPNDOSA-N 2 0 350.463 1.491 20 5 FDBDRP O=C1C[N@H+](CC2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCCN1 ZINC001183643696 963182854 /nfs/dbraw/zinc/18/28/54/963182854.db2.gz VQBBZGQTGAQHNG-UHFFFAOYSA-N 2 0 360.458 1.671 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849590 181176310 /nfs/dbraw/zinc/17/63/10/181176310.db2.gz QSRVJDSJLCPHKH-ATZDWAIDSA-N 2 0 373.457 1.652 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849593 181176320 /nfs/dbraw/zinc/17/63/20/181176320.db2.gz QSRVJDSJLCPHKH-MNEFBYGVSA-N 2 0 373.457 1.652 20 5 FDBDRP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000162144070 525219781 /nfs/dbraw/zinc/21/97/81/525219781.db2.gz ASUISZIHKVWXJB-CYBMUJFWSA-N 2 0 370.475 1.193 20 5 FDBDRP Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102253 525391698 /nfs/dbraw/zinc/39/16/98/525391698.db2.gz FJXGUIMLPPCPHZ-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000171656646 526063556 /nfs/dbraw/zinc/06/35/56/526063556.db2.gz DZHFKBMDPANSLE-UHFFFAOYSA-N 2 0 364.446 1.493 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000298646296 537725843 /nfs/dbraw/zinc/72/58/43/537725843.db2.gz HOHDSJGJLSUGPX-UHFFFAOYSA-N 2 0 372.491 1.489 20 5 FDBDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660324 553115572 /nfs/dbraw/zinc/11/55/72/553115572.db2.gz NIBMCGCEJQQQFU-SFHVURJKSA-N 2 0 361.446 1.736 20 5 FDBDRP O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000603279178 553752181 /nfs/dbraw/zinc/75/21/81/553752181.db2.gz PBPYCGAFNFKORA-OLZOCXBDSA-N 2 0 373.461 1.682 20 5 FDBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC[NH+](CCO)CC2)n1 ZINC000447526632 682554035 /nfs/dbraw/zinc/55/40/35/682554035.db2.gz DJWRUKXRUCQXQP-CVEARBPZSA-N 2 0 351.451 1.569 20 5 FDBDRP COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262043014 774647915 /nfs/dbraw/zinc/64/79/15/774647915.db2.gz YNAKXTVDGAEYFV-SOUVJXGZSA-N 2 0 363.414 1.706 20 5 FDBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423454186 815095300 /nfs/dbraw/zinc/09/53/00/815095300.db2.gz LGKDTLONFZGOGM-NRXGSXMXSA-N 2 0 360.458 1.762 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000470011640 828965463 /nfs/dbraw/zinc/96/54/63/828965463.db2.gz LXNJWWIPUSVEJJ-GPCFVJJQSA-N 2 0 358.442 1.752 20 5 FDBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000923384498 889067526 /nfs/dbraw/zinc/06/75/26/889067526.db2.gz ZGXPVZAWKMGVKY-SFHVURJKSA-N 2 0 357.414 1.765 20 5 FDBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819058051 943398853 /nfs/dbraw/zinc/39/88/53/943398853.db2.gz DGVAVDGQPLGWSO-QAPCUYQASA-N 2 0 350.463 1.491 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CC[NH+](C)CC2)c1F ZINC001173175784 961952382 /nfs/dbraw/zinc/95/23/82/961952382.db2.gz SOOSNJHMZBUAAI-CYBMUJFWSA-N 2 0 354.426 1.511 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870021987 985527808 /nfs/dbraw/zinc/52/78/08/985527808.db2.gz MBBYOHXHGDEYIK-ZIAGYGMSSA-N 2 0 352.410 1.545 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H]1C[NH+](C)C ZINC000870023421 985532690 /nfs/dbraw/zinc/53/26/90/985532690.db2.gz XQIXULQVXRZELS-ZIAGYGMSSA-N 2 0 373.457 1.888 20 5 FDBDRP COCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CC[NH+](C)CC1 ZINC000879125979 994558945 /nfs/dbraw/zinc/55/89/45/994558945.db2.gz NSHPPWYXKJVURO-UHFFFAOYSA-N 2 0 352.435 1.047 20 5 FDBDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378438390 262025410 /nfs/dbraw/zinc/02/54/10/262025410.db2.gz VZNJCOLRLZJGDX-QGZVFWFLSA-N 2 0 362.474 1.933 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000271276583 537418120 /nfs/dbraw/zinc/41/81/20/537418120.db2.gz NCGJJDJOCKHJFX-UHFFFAOYSA-N 2 0 352.435 1.646 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCN(C3CC3)C2)cc1 ZINC000573476540 550146781 /nfs/dbraw/zinc/14/67/81/550146781.db2.gz PMJBCBCYWYARRH-CYBMUJFWSA-N 2 0 353.444 1.442 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000591723325 551903257 /nfs/dbraw/zinc/90/32/57/551903257.db2.gz RYGYLDGKPKNQRE-IBGZPJMESA-N 2 0 373.457 1.928 20 5 FDBDRP C[NH+]1CCN(CCC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602594182 553609358 /nfs/dbraw/zinc/60/93/58/553609358.db2.gz UACNXGVBNGAPJU-UHFFFAOYSA-N 2 0 362.478 1.186 20 5 FDBDRP COC(=O)COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000261948651 672699631 /nfs/dbraw/zinc/69/96/31/672699631.db2.gz NPZVZKMQSVNNEI-GFCCVEGCSA-N 2 0 351.403 1.706 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430540754 681080369 /nfs/dbraw/zinc/08/03/69/681080369.db2.gz AMZOSJXPQNJOEA-OLZOCXBDSA-N 2 0 350.419 1.991 20 5 FDBDRP COc1ccc(OCC[NH+]2CCC(OCCC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430549488 681081202 /nfs/dbraw/zinc/08/12/02/681081202.db2.gz XVLHOITUBFOONA-UHFFFAOYSA-N 2 0 353.419 1.812 20 5 FDBDRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000467861739 684880905 /nfs/dbraw/zinc/88/09/05/684880905.db2.gz FUUCUHBTQHWCRK-INIZCTEOSA-N 2 0 350.463 1.636 20 5 FDBDRP O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1)N1CC[NH2+]CC1 ZINC000470013990 684999379 /nfs/dbraw/zinc/99/93/79/684999379.db2.gz TVWXYJIETQRJDN-AWEZNQCLSA-N 2 0 350.394 1.378 20 5 FDBDRP C[NH+](C)CCOc1cc(NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC001167837252 807846626 /nfs/dbraw/zinc/84/66/26/807846626.db2.gz NPRIOJZFKXODEL-UHFFFAOYSA-N 2 0 354.476 1.996 20 5 FDBDRP O=C(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CC[NH+](C2CCCCC2)CC1 ZINC001168991620 928214547 /nfs/dbraw/zinc/21/45/47/928214547.db2.gz ICLHUWRJFKPRHF-HZPDHXFCSA-N 2 0 352.479 1.498 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H]1C[NH+](C)C ZINC000866012089 974620506 /nfs/dbraw/zinc/62/05/06/974620506.db2.gz PYYJPSVDJLUOEN-CHWSQXEVSA-N 2 0 374.445 1.419 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870017862 985519125 /nfs/dbraw/zinc/51/91/25/985519125.db2.gz STCYAXNSOHIAOJ-HUUCEWRRSA-N 2 0 366.437 1.474 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000870018185 985520265 /nfs/dbraw/zinc/52/02/65/985520265.db2.gz XYCRQCVLKOPLBT-ZAWLATJESA-N 2 0 374.485 1.896 20 5 FDBDRP COc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870019826 985523950 /nfs/dbraw/zinc/52/39/50/985523950.db2.gz RZDBBZXNPSTYKX-ZIAGYGMSSA-N 2 0 364.446 1.415 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)C2)c1 ZINC000877624815 993389257 /nfs/dbraw/zinc/38/92/57/993389257.db2.gz SITCRGLZVXFSBK-FAFZWHIHSA-N 2 0 371.441 1.851 20 5 FDBDRP Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530652293 540016442 /nfs/dbraw/zinc/01/64/42/540016442.db2.gz HBHXTQXHZIMTHL-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622768 260069312 /nfs/dbraw/zinc/06/93/12/260069312.db2.gz JVXBOJHEQLGJLV-VQIMIIECSA-N 2 0 362.474 1.588 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000104533413 525417475 /nfs/dbraw/zinc/41/74/75/525417475.db2.gz XDGWJWNKQMBRHW-UHFFFAOYSA-N 2 0 374.445 1.346 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000133638302 526078525 /nfs/dbraw/zinc/07/85/25/526078525.db2.gz BNDJGSPXNCWWCM-UHFFFAOYSA-N 2 0 353.423 1.561 20 5 FDBDRP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248594260 537195826 /nfs/dbraw/zinc/19/58/26/537195826.db2.gz SEUIRGWEZROVSO-JJRVBVJISA-N 2 0 351.451 1.395 20 5 FDBDRP CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192723696 537231074 /nfs/dbraw/zinc/23/10/74/537231074.db2.gz LCOIDHFQMRJRTR-XYPWUTKMSA-N 2 0 362.478 1.867 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346705 538271704 /nfs/dbraw/zinc/27/17/04/538271704.db2.gz XGHOTCWSHIUHFZ-OKILXGFUSA-N 2 0 362.430 1.863 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625689 538324265 /nfs/dbraw/zinc/32/42/65/538324265.db2.gz CJNRSQXRGZBKJS-AVGNSLFASA-N 2 0 350.419 1.847 20 5 FDBDRP CCn1ccnc1CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC12CC[NH2+]CC2 ZINC000567990493 548351050 /nfs/dbraw/zinc/35/10/50/548351050.db2.gz AKEYEEKAAGSGCO-INIZCTEOSA-N 2 0 373.461 1.652 20 5 FDBDRP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576390072 550543643 /nfs/dbraw/zinc/54/36/43/550543643.db2.gz GJRXWQMZNOHGEQ-UHFFFAOYSA-N 2 0 355.460 1.690 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000576822720 550589785 /nfs/dbraw/zinc/58/97/85/550589785.db2.gz IRVSBKSNGZWJPC-UHFFFAOYSA-N 2 0 359.382 1.895 20 5 FDBDRP Cc1c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000578937578 550816977 /nfs/dbraw/zinc/81/69/77/550816977.db2.gz WQLVBNRPNXXIKU-UHFFFAOYSA-N 2 0 351.451 1.538 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000591748362 551905728 /nfs/dbraw/zinc/90/57/28/551905728.db2.gz XDMSSAUNBOAIKI-QGZVFWFLSA-N 2 0 351.451 1.539 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593737683 552187803 /nfs/dbraw/zinc/18/78/03/552187803.db2.gz ULXZUNXZBMGHMC-UGSOOPFHSA-N 2 0 362.430 1.993 20 5 FDBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430649097 681089466 /nfs/dbraw/zinc/08/94/66/681089466.db2.gz HYOPIUUEXAUMIF-ZDUSSCGKSA-N 2 0 350.419 1.863 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430952433 681101567 /nfs/dbraw/zinc/10/15/67/681101567.db2.gz YWGULPRZLDYIMO-LBPRGKRZSA-N 2 0 350.419 1.991 20 5 FDBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447522210 682553600 /nfs/dbraw/zinc/55/36/00/682553600.db2.gz YCIZAHSKHHGKSI-CVEARBPZSA-N 2 0 350.467 1.502 20 5 FDBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233076 793766701 /nfs/dbraw/zinc/76/67/01/793766701.db2.gz UPNVQSCAPNEECW-RTBURBONSA-N 2 0 362.474 1.729 20 5 FDBDRP COc1c(O)ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000893359685 795906449 /nfs/dbraw/zinc/90/64/49/795906449.db2.gz CJVOUYOJPJEZLV-UHFFFAOYSA-N 2 0 352.435 1.425 20 5 FDBDRP [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424020461 815296944 /nfs/dbraw/zinc/29/69/44/815296944.db2.gz OQYXCPDXOLRALT-UHFFFAOYSA-N 2 0 357.414 1.646 20 5 FDBDRP C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000516454932 816834278 /nfs/dbraw/zinc/83/42/78/816834278.db2.gz ZPXFNOWKGGMHTG-KBXCAEBGSA-N 2 0 374.445 1.362 20 5 FDBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447533716 828778175 /nfs/dbraw/zinc/77/81/75/828778175.db2.gz YSKALSAGESVPSV-IKGGRYGDSA-N 2 0 364.494 1.891 20 5 FDBDRP C[NH+]1CC[C@H]2CN(c3nc(N4C[C@H]5CC[N@@H+](C)[C@H]5C4)ccc3[N+](=O)[O-])C[C@H]21 ZINC000450781797 830123332 /nfs/dbraw/zinc/12/33/32/830123332.db2.gz UVAZMCZTXVCMDH-YQFWSFKMSA-N 2 0 372.473 1.270 20 5 FDBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000923384497 889068144 /nfs/dbraw/zinc/06/81/44/889068144.db2.gz ZGXPVZAWKMGVKY-GOSISDBHSA-N 2 0 357.414 1.765 20 5 FDBDRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)ccn2)CC1 ZINC000818962424 943344586 /nfs/dbraw/zinc/34/45/86/943344586.db2.gz QHGBMPNHXGSSAT-SFHVURJKSA-N 2 0 371.441 1.565 20 5 FDBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCCN2CC[NH2+]CC2)n1 ZINC000925845319 995795196 /nfs/dbraw/zinc/79/51/96/995795196.db2.gz GFHLOIHXVYYZNE-IRXDYDNUSA-N 2 0 364.494 1.940 20 5 FDBDRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000539293394 540943569 /nfs/dbraw/zinc/94/35/69/540943569.db2.gz SGJUWTWFSMVXSR-AWEZNQCLSA-N 2 0 351.451 1.791 20 5 FDBDRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000398019706 537793207 /nfs/dbraw/zinc/79/32/07/537793207.db2.gz JILSZKIOSHDZKQ-QGPMSJSTSA-N 2 0 359.430 1.405 20 5 FDBDRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000564989468 547148268 /nfs/dbraw/zinc/14/82/68/547148268.db2.gz MJUGALRQZBFRGO-CQSZACIVSA-N 2 0 362.430 1.611 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678913 548208753 /nfs/dbraw/zinc/20/87/53/548208753.db2.gz DWKRAYWLPWOICD-MJGOQNOKSA-N 2 0 373.457 1.306 20 5 FDBDRP O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599938457 553178271 /nfs/dbraw/zinc/17/82/71/553178271.db2.gz AWCHIAMMTUMCMW-GJZGRUSLSA-N 2 0 371.397 1.062 20 5 FDBDRP COCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423402308 680792137 /nfs/dbraw/zinc/79/21/37/680792137.db2.gz HAICBUJOLMKBLK-HUUCEWRRSA-N 2 0 351.451 1.881 20 5 FDBDRP C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000312747821 795929560 /nfs/dbraw/zinc/92/95/60/795929560.db2.gz YVCNMNPIKJPIAN-RBUKOAKNSA-N 2 0 373.457 1.654 20 5 FDBDRP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420326639 813617154 /nfs/dbraw/zinc/61/71/54/813617154.db2.gz COENADZRCNUBSF-MCIONIFRSA-N 2 0 362.430 1.862 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249492256 860920239 /nfs/dbraw/zinc/92/02/39/860920239.db2.gz VMMMGYNERUFZEJ-RDJZCZTQSA-N 2 0 366.462 1.483 20 5 FDBDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169024000 928248487 /nfs/dbraw/zinc/24/84/87/928248487.db2.gz WPKMOXHYHVYUSP-NVXWUHKLSA-N 2 0 362.474 1.256 20 5 FDBDRP [NH3+]CCCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691870 962583927 /nfs/dbraw/zinc/58/39/27/962583927.db2.gz SGKUBIOEVZVTHK-UHFFFAOYSA-N 2 0 356.448 1.076 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C[NH+](C)C ZINC000866040777 974638751 /nfs/dbraw/zinc/63/87/51/974638751.db2.gz HPMKBPDKSISKJP-CHWSQXEVSA-N 2 0 367.425 1.937 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870023924 985533278 /nfs/dbraw/zinc/53/32/78/985533278.db2.gz OKRXGERCLGSUMV-HUUCEWRRSA-N 2 0 364.446 1.171 20 5 FDBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH+](C)CC1 ZINC000331719024 259215241 /nfs/dbraw/zinc/21/52/41/259215241.db2.gz IEYKFPSNIVMKSW-OAGGEKHMSA-N 2 0 350.467 1.501 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000182186556 526086206 /nfs/dbraw/zinc/08/62/06/526086206.db2.gz JZKCXTCAGQWAAC-PMPSAXMXSA-N 2 0 351.447 1.997 20 5 FDBDRP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482659 537597774 /nfs/dbraw/zinc/59/77/74/537597774.db2.gz GFQLLHYMAIBOLF-MOPGFXCFSA-N 2 0 362.474 1.729 20 5 FDBDRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321561 538264338 /nfs/dbraw/zinc/26/43/38/538264338.db2.gz CUORHGCFQFLLOK-CQSZACIVSA-N 2 0 362.430 1.611 20 5 FDBDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539271 538388283 /nfs/dbraw/zinc/38/82/83/538388283.db2.gz GKHZQXWWOHNUMP-IAGOWNOFSA-N 2 0 364.494 1.892 20 5 FDBDRP C[NH+](C)Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1F ZINC000566118234 547612907 /nfs/dbraw/zinc/61/29/07/547612907.db2.gz YMGJQLMVDDPWBO-HNNXBMFYSA-N 2 0 351.382 1.143 20 5 FDBDRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000569172181 548820605 /nfs/dbraw/zinc/82/06/05/548820605.db2.gz RFTDKGAYSPLSNF-UHFFFAOYSA-N 2 0 374.489 1.921 20 5 FDBDRP COC(=O)COc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000574204984 550275317 /nfs/dbraw/zinc/27/53/17/550275317.db2.gz QKCHDRBNRGPYPS-SFHVURJKSA-N 2 0 363.414 1.722 20 5 FDBDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000579222540 550848900 /nfs/dbraw/zinc/84/89/00/550848900.db2.gz XYOFHAHFXSHOCB-HLLBOEOZSA-N 2 0 353.467 1.500 20 5 FDBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000592487880 552000722 /nfs/dbraw/zinc/00/07/22/552000722.db2.gz AELBKEZACGNJNY-JSGCOSHPSA-N 2 0 350.419 1.991 20 5 FDBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)CC1 ZINC000602548639 553604008 /nfs/dbraw/zinc/60/40/08/553604008.db2.gz OCSJCGZNFQZNOO-CYBMUJFWSA-N 2 0 359.430 1.994 20 5 FDBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618562001 555651336 /nfs/dbraw/zinc/65/13/36/555651336.db2.gz OCMHCSKFXNKDKA-JKSUJKDBSA-N 2 0 364.494 1.891 20 5 FDBDRP COc1ccc(NC(=O)CC[NH2+][C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420364498 680436875 /nfs/dbraw/zinc/43/68/75/680436875.db2.gz PBEWPSOMVDFCFV-HNNXBMFYSA-N 2 0 350.419 1.910 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430540755 681080315 /nfs/dbraw/zinc/08/03/15/681080315.db2.gz AMZOSJXPQNJOEA-QWHCGFSZSA-N 2 0 350.419 1.991 20 5 FDBDRP COc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000433126089 681173588 /nfs/dbraw/zinc/17/35/88/681173588.db2.gz BGPQQRGFGMOPQU-UHFFFAOYSA-N 2 0 350.419 1.423 20 5 FDBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000436058272 681660928 /nfs/dbraw/zinc/66/09/28/681660928.db2.gz IJIKIGWPZJRJIR-CQSZACIVSA-N 2 0 350.419 1.293 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430607335 776983507 /nfs/dbraw/zinc/98/35/07/776983507.db2.gz BYAYHHRELDRXFW-OAHLLOKOSA-N 2 0 362.430 1.117 20 5 FDBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000378233074 793766069 /nfs/dbraw/zinc/76/60/69/793766069.db2.gz UPNVQSCAPNEECW-OALUTQOASA-N 2 0 362.474 1.729 20 5 FDBDRP CN1CCN(c2cc[nH+]cc2NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000517651974 817523335 /nfs/dbraw/zinc/52/33/35/817523335.db2.gz XPAGWGJQGOWWFF-UHFFFAOYSA-N 2 0 371.397 1.759 20 5 FDBDRP Cc1c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cccc1[N+](=O)[O-] ZINC000863549791 973005154 /nfs/dbraw/zinc/00/51/54/973005154.db2.gz JCBZSRCUFSVGJI-SJORKVTESA-N 2 0 360.414 1.660 20 5 FDBDRP CC(C)Oc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000866009952 974618815 /nfs/dbraw/zinc/61/88/15/974618815.db2.gz ARMGEILEXWVOSD-HUUCEWRRSA-N 2 0 365.478 1.953 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870023283 985531812 /nfs/dbraw/zinc/53/18/12/985531812.db2.gz RIAFIMDMMPWLFY-ZIAGYGMSSA-N 2 0 364.446 1.415 20 5 FDBDRP COCC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000879125438 994560066 /nfs/dbraw/zinc/56/00/66/994560066.db2.gz CDJFOMMQFPHTTP-GOSISDBHSA-N 2 0 351.447 1.918 20 5 FDBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000090015321 172259520 /nfs/dbraw/zinc/25/95/20/172259520.db2.gz UIRLBKUPCMLGOE-ZIAGYGMSSA-N 2 0 370.475 1.193 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112362231 524470748 /nfs/dbraw/zinc/47/07/48/524470748.db2.gz ZMNDPBLSPCVDGE-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408690 525256957 /nfs/dbraw/zinc/25/69/57/525256957.db2.gz IAEWAKUMPXBWOZ-MRXNPFEDSA-N 2 0 362.430 1.212 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170628287 525647635 /nfs/dbraw/zinc/64/76/35/525647635.db2.gz GLNGIXWJGPQGCX-HNNXBMFYSA-N 2 0 363.462 1.786 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420353967 538275775 /nfs/dbraw/zinc/27/57/75/538275775.db2.gz COMAABOHIUMQDW-HNNXBMFYSA-N 2 0 350.419 1.910 20 5 FDBDRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000591758038 551906484 /nfs/dbraw/zinc/90/64/84/551906484.db2.gz PZOCNTMUPJOOTC-HNNXBMFYSA-N 2 0 351.382 1.143 20 5 FDBDRP CN(CC1C[NH+](C)C1)c1nc(N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])s1 ZINC000596453423 552680670 /nfs/dbraw/zinc/68/06/70/552680670.db2.gz ISACVCFCLNMORY-UHFFFAOYSA-N 2 0 354.480 1.047 20 5 FDBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844335 553649437 /nfs/dbraw/zinc/64/94/37/553649437.db2.gz AVNQRKIEWGZGGV-GOSISDBHSA-N 2 0 372.425 1.942 20 5 FDBDRP Cn1ccnc1N1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000610432334 554505321 /nfs/dbraw/zinc/50/53/21/554505321.db2.gz FQXWKQMOTFHSTG-MRXNPFEDSA-N 2 0 370.413 1.256 20 5 FDBDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000375721057 783152801 /nfs/dbraw/zinc/15/28/01/783152801.db2.gz ULGXFEDCUPCREX-AWEZNQCLSA-N 2 0 363.418 1.761 20 5 FDBDRP C[C@@H](CNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-])[NH+](C)C ZINC000934040947 780638596 /nfs/dbraw/zinc/63/85/96/780638596.db2.gz SJXKXOVBZLJTJT-ZDUSSCGKSA-N 2 0 364.450 1.418 20 5 FDBDRP O=[N+]([O-])c1cccc(-c2noc(CN3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000420350473 813623417 /nfs/dbraw/zinc/62/34/17/813623417.db2.gz SXKLCUQUFYICSD-HNNXBMFYSA-N 2 0 358.402 1.124 20 5 FDBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CN1CC[NH+](C)CC1 ZINC000518475270 817889194 /nfs/dbraw/zinc/88/91/94/817889194.db2.gz WJZIMIHUWZIDHN-ZACQAIPSSA-N 2 0 364.494 1.748 20 5 FDBDRP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741091 822724610 /nfs/dbraw/zinc/72/46/10/822724610.db2.gz YXDSIAXNTRJBFA-YIYPIFLZSA-N 2 0 363.466 1.702 20 5 FDBDRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586539 971237110 /nfs/dbraw/zinc/23/71/10/971237110.db2.gz SIAYKSPOBMKBKE-GOSISDBHSA-N 2 0 374.445 1.791 20 5 FDBDRP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920968 961828999 /nfs/dbraw/zinc/82/89/99/961828999.db2.gz MVFMUUBTVCGNQF-GOSISDBHSA-N 2 0 374.485 1.938 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866010975 974619436 /nfs/dbraw/zinc/61/94/36/974619436.db2.gz QNAPRNWSYGKAGB-CHWSQXEVSA-N 2 0 351.407 1.679 20 5 FDBDRP Cc1c(CN2CCN(CC[N@@H+]3CCCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000364329466 989539040 /nfs/dbraw/zinc/53/90/40/989539040.db2.gz RJVZNYDGDLCKAO-UHFFFAOYSA-N 2 0 362.474 1.743 20 5 FDBDRP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000469998250 993928378 /nfs/dbraw/zinc/92/83/78/993928378.db2.gz FFJPHQAXIKRANJ-HNNXBMFYSA-N 2 0 362.430 1.247 20 5 FDBDRP C[NH+](C)C1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000552283536 543446060 /nfs/dbraw/zinc/44/60/60/543446060.db2.gz FONROAATDKIIPU-UHFFFAOYSA-N 2 0 355.460 1.831 20 5 FDBDRP Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000112362236 524471666 /nfs/dbraw/zinc/47/16/66/524471666.db2.gz MDVMXKSLOMPZCG-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174729309 524710619 /nfs/dbraw/zinc/71/06/19/524710619.db2.gz PRMJTNSDIPROBI-UHFFFAOYSA-N 2 0 363.462 1.493 20 5 FDBDRP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248594258 537195503 /nfs/dbraw/zinc/19/55/03/537195503.db2.gz SEUIRGWEZROVSO-GRDNDAEWSA-N 2 0 351.451 1.395 20 5 FDBDRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1Cc1ccccc1 ZINC000398019708 537792959 /nfs/dbraw/zinc/79/29/59/537792959.db2.gz JILSZKIOSHDZKQ-UWWQBHOKSA-N 2 0 359.430 1.405 20 5 FDBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389863 538389811 /nfs/dbraw/zinc/38/98/11/538389811.db2.gz LYRACQBJPUNPCN-DOMZBBRYSA-N 2 0 360.380 1.952 20 5 FDBDRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857104 538817754 /nfs/dbraw/zinc/81/77/54/538817754.db2.gz XUQAZSNKOQPASR-IAGOWNOFSA-N 2 0 360.458 1.983 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000572082801 549837727 /nfs/dbraw/zinc/83/77/27/549837727.db2.gz FUTONTPRPRIDQU-SFHVURJKSA-N 2 0 359.430 1.538 20 5 FDBDRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000577170826 550627813 /nfs/dbraw/zinc/62/78/13/550627813.db2.gz CZBQRINHWFQWJK-CQSZACIVSA-N 2 0 365.430 1.885 20 5 FDBDRP Cn1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000592428388 551993971 /nfs/dbraw/zinc/99/39/71/551993971.db2.gz FSQWDKDIEDPJSF-UHFFFAOYSA-N 2 0 358.446 1.332 20 5 FDBDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597942897 552848783 /nfs/dbraw/zinc/84/87/83/552848783.db2.gz PQBMBWRZMJLTGK-LBPRGKRZSA-N 2 0 366.418 1.325 20 5 FDBDRP C[N@@H+]1CCN(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(C)C ZINC000619655466 555818218 /nfs/dbraw/zinc/81/82/18/555818218.db2.gz CSZCMJFRTUCIIR-UHFFFAOYSA-N 2 0 364.446 1.482 20 5 FDBDRP COCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423402309 680792094 /nfs/dbraw/zinc/79/20/94/680792094.db2.gz HAICBUJOLMKBLK-LSDHHAIUSA-N 2 0 351.451 1.881 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415010492 679377648 /nfs/dbraw/zinc/37/76/48/679377648.db2.gz UYGKNXDRHBJQFN-OCCSQVGLSA-N 2 0 351.403 1.754 20 5 FDBDRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483133352 686469926 /nfs/dbraw/zinc/46/99/26/686469926.db2.gz YVRPRQXAKONULM-INIZCTEOSA-N 2 0 350.463 1.636 20 5 FDBDRP COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262043012 774648171 /nfs/dbraw/zinc/64/81/71/774648171.db2.gz YNAKXTVDGAEYFV-RRFJBIMHSA-N 2 0 363.414 1.706 20 5 FDBDRP C[C@@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000312747820 795928785 /nfs/dbraw/zinc/92/87/85/795928785.db2.gz YVCNMNPIKJPIAN-OALUTQOASA-N 2 0 373.457 1.654 20 5 FDBDRP Cc1c(NC(=O)CC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000420350130 813623264 /nfs/dbraw/zinc/62/32/64/813623264.db2.gz RMBOLMGFWJDCLP-HNNXBMFYSA-N 2 0 361.446 1.211 20 5 FDBDRP COc1c(O)ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000895698488 822712192 /nfs/dbraw/zinc/71/21/92/822712192.db2.gz FWGFUKAKLBPVOG-HUUCEWRRSA-N 2 0 366.462 1.480 20 5 FDBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877016712 993011729 /nfs/dbraw/zinc/01/17/29/993011729.db2.gz OWHSYIYHFPSDNY-FHERZECASA-N 2 0 350.467 1.358 20 5 FDBDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622766 260069160 /nfs/dbraw/zinc/06/91/60/260069160.db2.gz JVXBOJHEQLGJLV-LPHOPBHVSA-N 2 0 362.474 1.588 20 5 FDBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(CCc2ccccn2)CC1 ZINC000177255788 525262270 /nfs/dbraw/zinc/26/22/70/525262270.db2.gz CHKKFZONCLNMCT-UHFFFAOYSA-N 2 0 358.446 1.825 20 5 FDBDRP O=C(NC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1 ZINC000261796653 537253259 /nfs/dbraw/zinc/25/32/59/537253259.db2.gz ZPBAPICWMOYKHJ-TZMCWYRMSA-N 2 0 352.460 1.737 20 5 FDBDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610800 538669276 /nfs/dbraw/zinc/66/92/76/538669276.db2.gz TVTLSKUVXPVWHQ-IAGOWNOFSA-N 2 0 364.494 1.891 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000562512950 546163085 /nfs/dbraw/zinc/16/30/85/546163085.db2.gz DMQPXFKBNLHROB-UHFFFAOYSA-N 2 0 374.445 1.346 20 5 FDBDRP CSC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000568751955 548666021 /nfs/dbraw/zinc/66/60/21/548666021.db2.gz BLNWTSZFHUVYHZ-OAHLLOKOSA-N 2 0 369.487 1.752 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000580422388 550980532 /nfs/dbraw/zinc/98/05/32/550980532.db2.gz CDKLIARFTKMCJG-SFHVURJKSA-N 2 0 359.430 1.538 20 5 FDBDRP COCC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]CC1 ZINC000591279594 551855627 /nfs/dbraw/zinc/85/56/27/551855627.db2.gz BBOIMTZAUDDYOT-UHFFFAOYSA-N 2 0 351.403 1.472 20 5 FDBDRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598601390 552913625 /nfs/dbraw/zinc/91/36/25/552913625.db2.gz KBNRWDOWCLSQCS-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470008041 684998939 /nfs/dbraw/zinc/99/89/39/684998939.db2.gz HPLNAXNVXTZXOB-CYBMUJFWSA-N 2 0 350.419 1.280 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350745 813623610 /nfs/dbraw/zinc/62/36/10/813623610.db2.gz USBYLGUSFTXIFC-MRXNPFEDSA-N 2 0 361.446 1.211 20 5 FDBDRP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000895741090 822724739 /nfs/dbraw/zinc/72/47/39/822724739.db2.gz YXDSIAXNTRJBFA-RFQIPJPRSA-N 2 0 363.466 1.702 20 5 FDBDRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022793 928246763 /nfs/dbraw/zinc/24/67/63/928246763.db2.gz SRKYAVAVSQTFOO-KZNAEPCWSA-N 2 0 355.479 1.493 20 5 FDBDRP CC(=O)Nc1cc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001170904848 943268203 /nfs/dbraw/zinc/26/82/03/943268203.db2.gz QOGQTZFHFUSONK-LBPRGKRZSA-N 2 0 360.212 1.751 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CCN2CC[NH+](C)CC2)c1F ZINC001173196826 961961253 /nfs/dbraw/zinc/96/12/53/961961253.db2.gz PPMHYCAVRDWMBE-CQSZACIVSA-N 2 0 368.453 1.853 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)C[C@H]1C[NH+](C)C ZINC000866010025 974618881 /nfs/dbraw/zinc/61/88/81/974618881.db2.gz FBABXUCAENZPDQ-ZIAGYGMSSA-N 2 0 354.426 1.402 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H]1C[NH+](C)C ZINC000870024232 985534243 /nfs/dbraw/zinc/53/42/43/985534243.db2.gz LVEXDJQCTLEULD-ZIAGYGMSSA-N 2 0 373.457 1.888 20 5 FDBDRP O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371285152 990337515 /nfs/dbraw/zinc/33/75/15/990337515.db2.gz XQHNVNBDPMBFNO-UHFFFAOYSA-N 2 0 364.446 1.191 20 5 FDBDRP C[NH+]1CCC(N2CCC([NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)CC2)CC1 ZINC000876991815 992997849 /nfs/dbraw/zinc/99/78/49/992997849.db2.gz GCDBAEAKZBHRHP-UHFFFAOYSA-N 2 0 362.478 1.643 20 5 FDBDRP C[NH+]1CCN(c2cc[nH+]cc2NC2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877123462 993060520 /nfs/dbraw/zinc/06/05/20/993060520.db2.gz WQPKDPXWFCEOPN-UHFFFAOYSA-N 2 0 357.418 1.754 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114478660 524816766 /nfs/dbraw/zinc/81/67/66/524816766.db2.gz IUNQSXACZUGWFB-CYBMUJFWSA-N 2 0 350.419 1.816 20 5 FDBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000162103208 525213370 /nfs/dbraw/zinc/21/33/70/525213370.db2.gz BFNUXFZCUIRKCM-CZUORRHYSA-N 2 0 370.475 1.193 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489860772 538844150 /nfs/dbraw/zinc/84/41/50/538844150.db2.gz PQIRKGIFGGBLSZ-MRXNPFEDSA-N 2 0 361.446 1.211 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000574324457 550296282 /nfs/dbraw/zinc/29/62/82/550296282.db2.gz ZRGLJHGIAYXSJL-NWANDNLSSA-N 2 0 362.430 1.991 20 5 FDBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000574890351 550387381 /nfs/dbraw/zinc/38/73/81/550387381.db2.gz XFMUHMFRJMIZDZ-SFHVURJKSA-N 2 0 362.474 1.562 20 5 FDBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430599325 681085300 /nfs/dbraw/zinc/08/53/00/681085300.db2.gz AHDKHKGPVBFWRZ-CYBMUJFWSA-N 2 0 350.419 1.863 20 5 FDBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447522215 682553730 /nfs/dbraw/zinc/55/37/30/682553730.db2.gz YCIZAHSKHHGKSI-JKSUJKDBSA-N 2 0 350.467 1.502 20 5 FDBDRP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH+](C)CC1 ZINC000127844709 839744805 /nfs/dbraw/zinc/74/48/05/839744805.db2.gz ZLUOZCHYWBBQBM-INIZCTEOSA-N 2 0 361.490 1.789 20 5 FDBDRP C[NH+](C)CCOCc1ncn2c1C[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021909 928245231 /nfs/dbraw/zinc/24/52/31/928245231.db2.gz BBRYGUTXXMIGSD-CVEARBPZSA-N 2 0 365.478 1.612 20 5 FDBDRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000818962707 943343926 /nfs/dbraw/zinc/34/39/26/943343926.db2.gz WDDSMCJYNIPJKV-SFHVURJKSA-N 2 0 371.441 1.565 20 5 FDBDRP CC(C)[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000819058955 943398126 /nfs/dbraw/zinc/39/81/26/943398126.db2.gz AODITQRVVOKIEQ-ZWKOTPCHSA-N 2 0 350.463 1.490 20 5 FDBDRP COC(=O)[C@@H](C[NH3+])C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010869 961885405 /nfs/dbraw/zinc/88/54/05/961885405.db2.gz JRNJQBKYBMKWNI-JTQLQIEISA-N 2 0 372.372 1.179 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1F ZINC001173190164 961958382 /nfs/dbraw/zinc/95/83/82/961958382.db2.gz UVLFCTIQEHPXAI-CYBMUJFWSA-N 2 0 369.437 1.967 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866012657 974621578 /nfs/dbraw/zinc/62/15/78/974621578.db2.gz MNFRVRHGPXMURL-VXGBXAGGSA-N 2 0 352.464 1.480 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000535431493 540475450 /nfs/dbraw/zinc/47/54/50/540475450.db2.gz JSKDDDUVDVTJHS-UHFFFAOYSA-N 2 0 351.451 1.272 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057157349 522017840 /nfs/dbraw/zinc/01/78/40/522017840.db2.gz VKRULEWSLYQJME-UHFFFAOYSA-N 2 0 350.463 1.869 20 5 FDBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182963968 535896667 /nfs/dbraw/zinc/89/66/67/535896667.db2.gz QVKXBTRVKNAGFA-UHFFFAOYSA-N 2 0 351.451 1.616 20 5 FDBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247559916 537134264 /nfs/dbraw/zinc/13/42/64/537134264.db2.gz QRZFSXYJYWSLBU-IEBWSBKVSA-N 2 0 373.457 1.606 20 5 FDBDRP [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CC[NH+](Cc2ccccc2)CC1 ZINC000424043688 538219506 /nfs/dbraw/zinc/21/95/06/538219506.db2.gz ZIDHFQSRVMIBGB-UHFFFAOYSA-N 2 0 358.398 1.911 20 5 FDBDRP [NH3+][C@@H]1CCO[C@H]1C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000563713327 546657746 /nfs/dbraw/zinc/65/77/46/546657746.db2.gz IDWOJCXVDDDBJA-WBVHZDCISA-N 2 0 373.413 1.973 20 5 FDBDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566080531 547591096 /nfs/dbraw/zinc/59/10/96/547591096.db2.gz QAUWDNJORVEDJM-IAGOWNOFSA-N 2 0 364.494 1.892 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000567891252 548311346 /nfs/dbraw/zinc/31/13/46/548311346.db2.gz STAVCAKMNUUAPG-QEJZJMRPSA-N 2 0 362.430 1.991 20 5 FDBDRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000576512405 550557459 /nfs/dbraw/zinc/55/74/59/550557459.db2.gz UBDBOCYATZEIDG-HTWSVDAQSA-N 2 0 365.478 1.785 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729448 552184602 /nfs/dbraw/zinc/18/46/02/552184602.db2.gz FFXQYKTVIGVFSB-INMHGKMJSA-N 2 0 362.430 1.555 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729450 552184830 /nfs/dbraw/zinc/18/48/30/552184830.db2.gz FFXQYKTVIGVFSB-ZMSDIMECSA-N 2 0 362.430 1.555 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000602797415 553640518 /nfs/dbraw/zinc/64/05/18/553640518.db2.gz IRIXLBXVOMZFCQ-ZBFHGGJFSA-N 2 0 350.467 1.058 20 5 FDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847982 553650163 /nfs/dbraw/zinc/65/01/63/553650163.db2.gz WXJVZZHCOGHCIM-QGZVFWFLSA-N 2 0 372.425 1.942 20 5 FDBDRP C[NH+](C)C1(CNc2nc(NCC3([NH+](C)C)CC3)c([N+](=O)[O-])s2)CC1 ZINC000419006177 680170287 /nfs/dbraw/zinc/17/02/87/680170287.db2.gz HGWXIDSWSIFXGE-UHFFFAOYSA-N 2 0 354.480 2.064 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064410 682225623 /nfs/dbraw/zinc/22/56/23/682225623.db2.gz YCIHTBTZNDUESH-ZDUSSCGKSA-N 2 0 350.419 1.993 20 5 FDBDRP COC(=O)COc1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262043015 774648266 /nfs/dbraw/zinc/64/82/66/774648266.db2.gz YNAKXTVDGAEYFV-ZNMIVQPWSA-N 2 0 363.414 1.706 20 5 FDBDRP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000313083284 801253746 /nfs/dbraw/zinc/25/37/46/801253746.db2.gz XCWHMCLRXPXULK-VDZJLULYSA-N 2 0 373.457 1.652 20 5 FDBDRP C[C@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000516454933 816834859 /nfs/dbraw/zinc/83/48/59/816834859.db2.gz ZPXFNOWKGGMHTG-KDOFPFPSSA-N 2 0 374.445 1.362 20 5 FDBDRP Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001171394006 957349101 /nfs/dbraw/zinc/34/91/01/957349101.db2.gz XGIRRGMUHYDGSG-ZIAGYGMSSA-N 2 0 366.437 1.854 20 5 FDBDRP COCc1cc([N+](=O)[O-])ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012730 974621529 /nfs/dbraw/zinc/62/15/29/974621529.db2.gz PABFPIPLNDHIAK-HZPDHXFCSA-N 2 0 350.463 1.917 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278556 975294155 /nfs/dbraw/zinc/29/41/55/975294155.db2.gz REDMLNDRDSBIPD-QGZVFWFLSA-N 2 0 364.446 1.018 20 5 FDBDRP Cc1c(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000870020310 985525013 /nfs/dbraw/zinc/52/50/13/985525013.db2.gz LRCPMUZQRKCLCB-IAGOWNOFSA-N 2 0 362.474 1.644 20 5 FDBDRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000268409526 180075076 /nfs/dbraw/zinc/07/50/76/180075076.db2.gz GZZSWRXDEWDSNK-UHFFFAOYSA-N 2 0 367.446 1.937 20 5 FDBDRP C[N@H+](C[C@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2)C1CC1 ZINC000378354394 262010000 /nfs/dbraw/zinc/01/00/00/262010000.db2.gz GRDPBZGMGHUJLG-OAHLLOKOSA-N 2 0 360.458 1.953 20 5 FDBDRP O=C(NC[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261796651 537253206 /nfs/dbraw/zinc/25/32/06/537253206.db2.gz ZPBAPICWMOYKHJ-OCCSQVGLSA-N 2 0 352.460 1.737 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000566969106 547947819 /nfs/dbraw/zinc/94/78/19/547947819.db2.gz UHOUYHFSFRKALJ-UHFFFAOYSA-N 2 0 367.471 1.833 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000583464753 551355934 /nfs/dbraw/zinc/35/59/34/551355934.db2.gz GIEHCHKCKKOKSE-UHFFFAOYSA-N 2 0 364.446 1.493 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736084 552187311 /nfs/dbraw/zinc/18/73/11/552187311.db2.gz FPLJZYJCHICZCI-UXLLHSPISA-N 2 0 362.430 1.412 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000602811799 553643084 /nfs/dbraw/zinc/64/30/84/553643084.db2.gz YIMGLBXILUIOKW-UHFFFAOYSA-N 2 0 364.494 1.449 20 5 FDBDRP O=C([C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262003748 672710185 /nfs/dbraw/zinc/71/01/85/672710185.db2.gz UJGQLWNDTCYNKJ-AWEZNQCLSA-N 2 0 366.849 1.892 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311822666 790336968 /nfs/dbraw/zinc/33/69/68/790336968.db2.gz QPMCGPYZKYUCIZ-WMZOPIPTSA-N 2 0 359.430 1.264 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311822651 790354651 /nfs/dbraw/zinc/35/46/51/790354651.db2.gz QPMCGPYZKYUCIZ-FUHWJXTLSA-N 2 0 359.430 1.264 20 5 FDBDRP COc1c(O)ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000892563005 787313952 /nfs/dbraw/zinc/31/39/52/787313952.db2.gz OCYYRVGNGFFWKJ-UHFFFAOYSA-N 2 0 352.435 1.426 20 5 FDBDRP Cc1c(NC(=O)CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000489912356 860199447 /nfs/dbraw/zinc/19/94/47/860199447.db2.gz VBDRUGFYSXNVOR-OAHLLOKOSA-N 2 0 361.446 1.211 20 5 FDBDRP C[NH+](C)CCOc1cc(-n2nnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001170023899 930541194 /nfs/dbraw/zinc/54/11/94/930541194.db2.gz GEGJYFVCYSSBBQ-UHFFFAOYSA-N 2 0 356.386 1.728 20 5 FDBDRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819062277 943426354 /nfs/dbraw/zinc/42/63/54/943426354.db2.gz PEFKJLHGJFKRIJ-SFHVURJKSA-N 2 0 350.463 1.636 20 5 FDBDRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173695626 962585856 /nfs/dbraw/zinc/58/58/56/962585856.db2.gz ODXOYLICKHVBQS-UONOGXRCSA-N 2 0 368.459 1.217 20 5 FDBDRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877019940 993014815 /nfs/dbraw/zinc/01/48/15/993014815.db2.gz IGSFHANPGPCSBG-UHFFFAOYSA-N 2 0 350.467 1.358 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)C2)c1 ZINC000877089782 993041966 /nfs/dbraw/zinc/04/19/66/993041966.db2.gz POFMOCHZLKKBRA-RLNQZENFSA-N 2 0 363.462 1.852 20 5 FDBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cn1 ZINC000531629819 540108845 /nfs/dbraw/zinc/10/88/45/540108845.db2.gz HOYQHWADEGCESA-UHFFFAOYSA-N 2 0 370.413 1.327 20 5 FDBDRP O=C(CC[N@@H+]1CC[C@H](CN2CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000129667788 173146840 /nfs/dbraw/zinc/14/68/40/173146840.db2.gz MMMOTTAYTMGZMA-HNNXBMFYSA-N 2 0 362.430 1.578 20 5 FDBDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000367172458 260005513 /nfs/dbraw/zinc/00/55/13/260005513.db2.gz XURQDZOTWFLZLF-KRWDZBQOSA-N 2 0 362.474 1.933 20 5 FDBDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000367622765 260069300 /nfs/dbraw/zinc/06/93/00/260069300.db2.gz JVXBOJHEQLGJLV-APWZRJJASA-N 2 0 362.474 1.588 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121592031 524302937 /nfs/dbraw/zinc/30/29/37/524302937.db2.gz FIUPKFSDXMNSAV-GOSISDBHSA-N 2 0 365.478 1.740 20 5 FDBDRP C[N@H+](CCN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000174847271 524760585 /nfs/dbraw/zinc/76/05/85/524760585.db2.gz NJMAAHWOGSOQKG-UHFFFAOYSA-N 2 0 372.473 1.541 20 5 FDBDRP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482663 537597638 /nfs/dbraw/zinc/59/76/38/537597638.db2.gz GFQLLHYMAIBOLF-RBUKOAKNSA-N 2 0 362.474 1.729 20 5 FDBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420335116 538268220 /nfs/dbraw/zinc/26/82/20/538268220.db2.gz PCNRCMIPQGFMPE-AEFFLSMTSA-N 2 0 362.430 1.752 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850541 547066342 /nfs/dbraw/zinc/06/63/42/547066342.db2.gz VPTZGYSIRDSCSW-DOTOQJQBSA-N 2 0 351.447 1.902 20 5 FDBDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111918 548801552 /nfs/dbraw/zinc/80/15/52/548801552.db2.gz DUGMGFXMYFVWLL-WBVHZDCISA-N 2 0 367.446 1.425 20 5 FDBDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000580183163 550951833 /nfs/dbraw/zinc/95/18/33/550951833.db2.gz VWZGOQJTCCBGSE-SFHVURJKSA-N 2 0 350.463 1.115 20 5 FDBDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131506 553350940 /nfs/dbraw/zinc/35/09/40/553350940.db2.gz ZLYORSCOTRWNDD-SFHVURJKSA-N 2 0 369.425 1.886 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000602809138 553642176 /nfs/dbraw/zinc/64/21/76/553642176.db2.gz YZFBDCOGVPRJOF-UHFFFAOYSA-N 2 0 365.478 1.924 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000610144828 554467355 /nfs/dbraw/zinc/46/73/55/554467355.db2.gz IXAYZOPYSMZHQG-UHFFFAOYSA-N 2 0 351.451 1.272 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419232 680443486 /nfs/dbraw/zinc/44/34/86/680443486.db2.gz XKEIEBTZBZOLAC-CHWSQXEVSA-N 2 0 350.419 1.849 20 5 FDBDRP COc1ccc(NC(=O)CC[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430966813 681102226 /nfs/dbraw/zinc/10/22/26/681102226.db2.gz QBXQTNBSRRKZIM-LBPRGKRZSA-N 2 0 350.419 1.991 20 5 FDBDRP COc1c(O)ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892927949 791709224 /nfs/dbraw/zinc/70/92/24/791709224.db2.gz INMCPGBXCUTWLM-CYBMUJFWSA-N 2 0 352.435 1.282 20 5 FDBDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000863550001 973004891 /nfs/dbraw/zinc/00/48/91/973004891.db2.gz LYIWOIWGMAWSOV-SJORKVTESA-N 2 0 360.414 1.394 20 5 FDBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550341 973005462 /nfs/dbraw/zinc/00/54/62/973005462.db2.gz VLLLKIBETUUPAJ-JLZZUVOBSA-N 2 0 360.414 1.913 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870023435 985532732 /nfs/dbraw/zinc/53/27/32/985532732.db2.gz YCMNNTVSIKGNHD-CHWSQXEVSA-N 2 0 352.410 1.545 20 5 FDBDRP COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000870025751 985537376 /nfs/dbraw/zinc/53/73/76/985537376.db2.gz XCTYDSDPMCPSIT-HUUCEWRRSA-N 2 0 364.446 1.415 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)C2)c1 ZINC000877191049 993095227 /nfs/dbraw/zinc/09/52/27/993095227.db2.gz FNIKAKYYSBKAHS-TVPLGVNVSA-N 2 0 371.441 1.851 20 5 FDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCCN2CC[NH2+]CC2)n1 ZINC000925845314 995794380 /nfs/dbraw/zinc/79/43/80/995794380.db2.gz GFHLOIHXVYYZNE-DLBZAZTESA-N 2 0 364.494 1.940 20 5 FDBDRP COc1ccc(OCC[NH+]2CCC(O)(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000931485467 1004202408 /nfs/dbraw/zinc/20/24/08/1004202408.db2.gz JOUYFNMQQGPLMR-UHFFFAOYSA-N 2 0 353.419 1.371 20 5 FDBDRP CN1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000245520564 178363434 /nfs/dbraw/zinc/36/34/34/178363434.db2.gz JQISUZIPZWCDDT-RTBURBONSA-N 2 0 362.474 1.730 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849592 181176511 /nfs/dbraw/zinc/17/65/11/181176511.db2.gz QSRVJDSJLCPHKH-LZQZEXGQSA-N 2 0 373.457 1.652 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178580406 174195281 /nfs/dbraw/zinc/19/52/81/174195281.db2.gz YAOYNAWBNJAENE-QGZVFWFLSA-N 2 0 364.446 1.018 20 5 FDBDRP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482664 259495350 /nfs/dbraw/zinc/49/53/50/259495350.db2.gz GFQLLHYMAIBOLF-RTBURBONSA-N 2 0 362.474 1.729 20 5 FDBDRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000371329939 260691794 /nfs/dbraw/zinc/69/17/94/260691794.db2.gz PMOOEELIORGBKN-RHSMWYFYSA-N 2 0 363.462 1.349 20 5 FDBDRP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000090015469 524574535 /nfs/dbraw/zinc/57/45/35/524574535.db2.gz LCXVNOAEVGUCHJ-ZDUSSCGKSA-N 2 0 370.475 1.193 20 5 FDBDRP Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000120320775 526029932 /nfs/dbraw/zinc/02/99/32/526029932.db2.gz HJRZBBRXYHSNMP-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420353171 538274182 /nfs/dbraw/zinc/27/41/82/538274182.db2.gz ZZWIDVBMNIKMQQ-INIZCTEOSA-N 2 0 361.446 1.211 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430540150 538391846 /nfs/dbraw/zinc/39/18/46/538391846.db2.gz GLBBGLCIDOSTSF-CHWSQXEVSA-N 2 0 350.419 1.991 20 5 FDBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614593 538671650 /nfs/dbraw/zinc/67/16/50/538671650.db2.gz VYNPDWLGZRACOE-IRXDYDNUSA-N 2 0 364.494 1.892 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000574324456 550296300 /nfs/dbraw/zinc/29/63/00/550296300.db2.gz ZRGLJHGIAYXSJL-CFVMTHIKSA-N 2 0 362.430 1.991 20 5 FDBDRP [NH3+]C1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000576941576 550602325 /nfs/dbraw/zinc/60/23/25/550602325.db2.gz CLXLWAAILUVYGO-UHFFFAOYSA-N 2 0 358.402 1.041 20 5 FDBDRP C[NH+](C)CCN1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000577841969 550700594 /nfs/dbraw/zinc/70/05/94/550700594.db2.gz DGFPAERSEPRTPL-UHFFFAOYSA-N 2 0 363.462 1.539 20 5 FDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000596107159 552655759 /nfs/dbraw/zinc/65/57/59/552655759.db2.gz SCSYPGMKSZJBFU-UHFFFAOYSA-N 2 0 352.410 1.814 20 5 FDBDRP NC(=O)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000600753276 553311626 /nfs/dbraw/zinc/31/16/26/553311626.db2.gz BTQSHCDYKUXABV-MRXNPFEDSA-N 2 0 362.430 1.284 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000602797411 553640758 /nfs/dbraw/zinc/64/07/58/553640758.db2.gz IRIXLBXVOMZFCQ-GOEBONIOSA-N 2 0 350.467 1.058 20 5 FDBDRP CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602962310 553681313 /nfs/dbraw/zinc/68/13/13/553681313.db2.gz IKAQOSYRKQDUOK-IBGZPJMESA-N 2 0 364.490 1.808 20 5 FDBDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000436058270 681660884 /nfs/dbraw/zinc/66/08/84/681660884.db2.gz IJIKIGWPZJRJIR-AWEZNQCLSA-N 2 0 350.419 1.293 20 5 FDBDRP O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431024651 779845934 /nfs/dbraw/zinc/84/59/34/779845934.db2.gz VXLPAZOJGILKSU-UHFFFAOYSA-N 2 0 360.414 1.968 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000870023791 985533426 /nfs/dbraw/zinc/53/34/26/985533426.db2.gz AIAZRANOEIIMKS-HUUCEWRRSA-N 2 0 364.446 1.171 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(Cn2ncc3cc([N+](=O)[O-])ccc32)C[C@H]1C[NH+](C)C ZINC000872639079 987894713 /nfs/dbraw/zinc/89/47/13/987894713.db2.gz WKKBHDZZOSCVOW-HZPDHXFCSA-N 2 0 360.462 1.573 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000875171226 990999559 /nfs/dbraw/zinc/99/95/59/990999559.db2.gz MJQLLRIFEFOWRD-HZPDHXFCSA-N 2 0 363.462 1.476 20 5 FDBDRP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1 ZINC000931436223 1004160202 /nfs/dbraw/zinc/16/02/02/1004160202.db2.gz KXQUZQPZQRDPNB-OLZOCXBDSA-N 2 0 350.394 1.946 20 5 FDBDRP COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000524937533 539672095 /nfs/dbraw/zinc/67/20/95/539672095.db2.gz XQJKDXQXHRJHRG-UHFFFAOYSA-N 2 0 367.450 1.238 20 5 FDBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110202 172101570 /nfs/dbraw/zinc/10/15/70/172101570.db2.gz QRZFSXYJYWSLBU-MJGOQNOKSA-N 2 0 373.457 1.606 20 5 FDBDRP C[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000378369568 262012055 /nfs/dbraw/zinc/01/20/55/262012055.db2.gz KMFQBZJEMKQSRR-CYBMUJFWSA-N 2 0 361.446 1.418 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000104533391 525416979 /nfs/dbraw/zinc/41/69/79/525416979.db2.gz UCLQIMHGCVVERG-UHFFFAOYSA-N 2 0 374.445 1.346 20 5 FDBDRP NC(=O)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420377802 538281690 /nfs/dbraw/zinc/28/16/90/538281690.db2.gz LFNAJULFQTYCFN-NVXWUHKLSA-N 2 0 362.430 1.412 20 5 FDBDRP CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000563490673 546555152 /nfs/dbraw/zinc/55/51/52/546555152.db2.gz PPTMWGRXWTXQJB-SNVBAGLBSA-N 2 0 361.324 1.720 20 5 FDBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]21 ZINC000577062404 550616556 /nfs/dbraw/zinc/61/65/56/550616556.db2.gz AQRNRLVYNQQFGY-BPLDGKMQSA-N 2 0 360.414 1.952 20 5 FDBDRP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000578741116 550796213 /nfs/dbraw/zinc/79/62/13/550796213.db2.gz GLZLSMPGCWDIMQ-OAHLLOKOSA-N 2 0 363.462 1.397 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C[NH3+] ZINC000593736619 552187029 /nfs/dbraw/zinc/18/70/29/552187029.db2.gz CUALYRHIQZSEKJ-CZUORRHYSA-N 2 0 350.419 1.527 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000602764659 553633260 /nfs/dbraw/zinc/63/32/60/553633260.db2.gz FYJHRXCTKBOADO-UHFFFAOYSA-N 2 0 351.451 1.534 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262003750 672710259 /nfs/dbraw/zinc/71/02/59/672710259.db2.gz UJGQLWNDTCYNKJ-CQSZACIVSA-N 2 0 366.849 1.892 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420417886 680442772 /nfs/dbraw/zinc/44/27/72/680442772.db2.gz WOAJQAHFTPUADL-STQMWFEESA-N 2 0 350.419 1.849 20 5 FDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451984374 682989485 /nfs/dbraw/zinc/98/94/85/682989485.db2.gz KXSMQBLSHDRCPH-UHFFFAOYSA-N 2 0 350.463 1.979 20 5 FDBDRP COc1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000414860349 790935382 /nfs/dbraw/zinc/93/53/82/790935382.db2.gz CNVVYONSHOKDJD-UHFFFAOYSA-N 2 0 360.414 1.858 20 5 FDBDRP COc1c(O)ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000892544455 787154352 /nfs/dbraw/zinc/15/43/52/787154352.db2.gz GTOOJKZGPDFCKC-UHFFFAOYSA-N 2 0 352.435 1.425 20 5 FDBDRP C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000312747819 795929050 /nfs/dbraw/zinc/92/90/50/795929050.db2.gz YVCNMNPIKJPIAN-MOPGFXCFSA-N 2 0 373.457 1.654 20 5 FDBDRP COC(=O)c1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000433115514 810152693 /nfs/dbraw/zinc/15/26/93/810152693.db2.gz INIAJDHCWIROJR-UHFFFAOYSA-N 2 0 364.402 1.523 20 5 FDBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000420337501 813608772 /nfs/dbraw/zinc/60/87/72/813608772.db2.gz QXGPETHUONJIDE-KDOFPFPSSA-N 2 0 362.430 1.752 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249492253 860921426 /nfs/dbraw/zinc/92/14/26/860921426.db2.gz VMMMGYNERUFZEJ-DOTOQJQBSA-N 2 0 366.462 1.483 20 5 FDBDRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001170680624 941232199 /nfs/dbraw/zinc/23/21/99/941232199.db2.gz BXGBHNWFLBCWKA-NSHDSACASA-N 2 0 365.397 1.944 20 5 FDBDRP COCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000879125899 994559373 /nfs/dbraw/zinc/55/93/73/994559373.db2.gz LMIHWYBUANIKTC-GOSISDBHSA-N 2 0 351.447 1.918 20 5 FDBDRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000139854414 173374951 /nfs/dbraw/zinc/37/49/51/173374951.db2.gz FPZOTLLJZUTEHP-WBVHZDCISA-N 2 0 358.442 1.900 20 5 FDBDRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642741 522950849 /nfs/dbraw/zinc/95/08/49/522950849.db2.gz SXJDNVSWMSLZTK-QGZVFWFLSA-N 2 0 353.467 1.596 20 5 FDBDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447539270 538388319 /nfs/dbraw/zinc/38/83/19/538388319.db2.gz GKHZQXWWOHNUMP-DLBZAZTESA-N 2 0 364.494 1.892 20 5 FDBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389868 538389907 /nfs/dbraw/zinc/38/99/07/538389907.db2.gz LYRACQBJPUNPCN-WFASDCNBSA-N 2 0 360.380 1.952 20 5 FDBDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000569824320 549062538 /nfs/dbraw/zinc/06/25/38/549062538.db2.gz GLWBKFCAFOFCQN-GOSISDBHSA-N 2 0 374.485 1.968 20 5 FDBDRP COCC[NH2+]C1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000581015239 551043332 /nfs/dbraw/zinc/04/33/32/551043332.db2.gz JDELDSMFOBKTPU-UHFFFAOYSA-N 2 0 364.446 1.932 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000581879348 551144337 /nfs/dbraw/zinc/14/43/37/551144337.db2.gz FJRXKSJTHLVRLL-GOSISDBHSA-N 2 0 359.430 1.538 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)c1 ZINC000591723326 551903262 /nfs/dbraw/zinc/90/32/62/551903262.db2.gz RYGYLDGKPKNQRE-LJQANCHMSA-N 2 0 373.457 1.928 20 5 FDBDRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCO2 ZINC000592185230 551955198 /nfs/dbraw/zinc/95/51/98/551955198.db2.gz VRYRNDLXBANOEN-UHFFFAOYSA-N 2 0 362.430 1.720 20 5 FDBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592489191 552001112 /nfs/dbraw/zinc/00/11/12/552001112.db2.gz SKXPKQPFPUPUGF-GXTWGEPZSA-N 2 0 350.419 1.991 20 5 FDBDRP Nc1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1[N+](=O)[O-] ZINC000596098675 552655120 /nfs/dbraw/zinc/65/51/20/552655120.db2.gz UCCHPVIIQPJQIU-UHFFFAOYSA-N 2 0 357.418 1.591 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000602795807 553640836 /nfs/dbraw/zinc/64/08/36/553640836.db2.gz CSHBBXIJHAQUGT-UHFFFAOYSA-N 2 0 364.494 1.590 20 5 FDBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618561999 555651039 /nfs/dbraw/zinc/65/10/39/555651039.db2.gz OCMHCSKFXNKDKA-HOTGVXAUSA-N 2 0 364.494 1.891 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415010490 679377686 /nfs/dbraw/zinc/37/76/86/679377686.db2.gz UYGKNXDRHBJQFN-GXTWGEPZSA-N 2 0 351.403 1.754 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420410128 680441420 /nfs/dbraw/zinc/44/14/20/680441420.db2.gz RBAJVOBBUJHTJN-QWHCGFSZSA-N 2 0 350.419 1.849 20 5 FDBDRP COc1ccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000531357921 694831742 /nfs/dbraw/zinc/83/17/42/694831742.db2.gz QUWCHCJYVDRPOQ-UHFFFAOYSA-N 2 0 352.435 1.098 20 5 FDBDRP CC[NH+](CC)C1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001165052721 722001025 /nfs/dbraw/zinc/00/10/25/722001025.db2.gz DMJSNUGLPKVZLC-UHFFFAOYSA-N 2 0 363.466 1.105 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1 ZINC000430610011 777043522 /nfs/dbraw/zinc/04/35/22/777043522.db2.gz JIVKXGOAKGVDTG-OAHLLOKOSA-N 2 0 362.430 1.117 20 5 FDBDRP C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376166575 786582682 /nfs/dbraw/zinc/58/26/82/786582682.db2.gz MRFDMMFWMQQBPU-UHFFFAOYSA-N 2 0 371.441 2.000 20 5 FDBDRP COc1cc(CN2CCC(O)(C[NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000501049137 811973027 /nfs/dbraw/zinc/97/30/27/811973027.db2.gz BEVCGCLMGSYBGR-UHFFFAOYSA-N 2 0 365.430 1.263 20 5 FDBDRP C[C@@H](c1ccncc1)N1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000516454934 816834664 /nfs/dbraw/zinc/83/46/64/816834664.db2.gz ZPXFNOWKGGMHTG-KSSFIOAISA-N 2 0 374.445 1.362 20 5 FDBDRP COCC[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448799933 829253728 /nfs/dbraw/zinc/25/37/28/829253728.db2.gz YTRWCRIMHFCCOA-UHFFFAOYSA-N 2 0 373.413 1.575 20 5 FDBDRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452384532 830630985 /nfs/dbraw/zinc/63/09/85/830630985.db2.gz GHOZGJRVNZVGKP-OAHLLOKOSA-N 2 0 373.413 1.357 20 5 FDBDRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996955 928216520 /nfs/dbraw/zinc/21/65/20/928216520.db2.gz WYPPOPHEENJRGN-UONOGXRCSA-N 2 0 355.435 1.028 20 5 FDBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819058059 943398881 /nfs/dbraw/zinc/39/88/81/943398881.db2.gz DJVMQBYFDKHVEE-QAPCUYQASA-N 2 0 350.463 1.491 20 5 FDBDRP C[NH+](C)CCN1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1=O ZINC001172920969 961828520 /nfs/dbraw/zinc/82/85/20/961828520.db2.gz MVFMUUBTVCGNQF-SFHVURJKSA-N 2 0 374.485 1.938 20 5 FDBDRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH+](C)CC1 ZINC000331719026 259215281 /nfs/dbraw/zinc/21/52/81/259215281.db2.gz IEYKFPSNIVMKSW-PMPSAXMXSA-N 2 0 350.467 1.501 20 5 FDBDRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000367172459 260005120 /nfs/dbraw/zinc/00/51/20/260005120.db2.gz XURQDZOTWFLZLF-QGZVFWFLSA-N 2 0 362.474 1.933 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634252 536019342 /nfs/dbraw/zinc/01/93/42/536019342.db2.gz SBVSUSKPFOSEOI-AWEZNQCLSA-N 2 0 364.450 1.870 20 5 FDBDRP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185667741 536214829 /nfs/dbraw/zinc/21/48/29/536214829.db2.gz SEUIRGWEZROVSO-ZQIUZPCESA-N 2 0 351.451 1.395 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489860770 538843323 /nfs/dbraw/zinc/84/33/23/538843323.db2.gz PQIRKGIFGGBLSZ-INIZCTEOSA-N 2 0 361.446 1.211 20 5 FDBDRP O=C(CC[NH2+]CCC[NH+]1CCC(O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000566232714 547674264 /nfs/dbraw/zinc/67/42/64/547674264.db2.gz SNFXLBPSOYQOCR-UHFFFAOYSA-N 2 0 350.419 1.360 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C[NH3+] ZINC000593736531 552187125 /nfs/dbraw/zinc/18/71/25/552187125.db2.gz AAOAVBYJRUZADO-MLGOLLRUSA-N 2 0 366.418 1.228 20 5 FDBDRP C[NH+]1CCC(C[NH2+]Cc2csc([N+](=O)[O-])c2)(N2CCOCC2)CC1 ZINC000414478975 679355767 /nfs/dbraw/zinc/35/57/67/679355767.db2.gz GIJQHVBGKCTIET-UHFFFAOYSA-N 2 0 354.476 1.543 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420417882 680442763 /nfs/dbraw/zinc/44/27/63/680442763.db2.gz WOAJQAHFTPUADL-OLZOCXBDSA-N 2 0 350.419 1.849 20 5 FDBDRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000467864512 684880998 /nfs/dbraw/zinc/88/09/98/684880998.db2.gz OEYSNHVCQNXOFU-INIZCTEOSA-N 2 0 350.463 1.636 20 5 FDBDRP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@@H]3C2)ccnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000376225581 786874260 /nfs/dbraw/zinc/87/42/60/786874260.db2.gz DPUAWJQHJAVVRX-CVEARBPZSA-N 2 0 372.473 1.559 20 5 FDBDRP COc1c(O)ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1[N+](=O)[O-] ZINC000892937611 791783285 /nfs/dbraw/zinc/78/32/85/791783285.db2.gz FDLGNLRWOAMFFT-UHFFFAOYSA-N 2 0 366.462 1.672 20 5 FDBDRP C[C@H]([NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)c1nnnn1C ZINC001184154200 963452150 /nfs/dbraw/zinc/45/21/50/963452150.db2.gz PTJCQCZVWJWGMZ-AWEZNQCLSA-N 2 0 373.461 1.724 20 5 FDBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534135541 540328430 /nfs/dbraw/zinc/32/84/30/540328430.db2.gz JWUWEXHFPISJQK-INIZCTEOSA-N 2 0 352.435 1.189 20 5 FDBDRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000542716988 541453033 /nfs/dbraw/zinc/45/30/33/541453033.db2.gz ULDQQPXFUXUZEZ-ZDUSSCGKSA-N 2 0 354.426 1.789 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000171656748 258267996 /nfs/dbraw/zinc/26/79/96/258267996.db2.gz ZTRUNPVTHMHSAI-UHFFFAOYSA-N 2 0 364.446 1.363 20 5 FDBDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000056524657 521878349 /nfs/dbraw/zinc/87/83/49/521878349.db2.gz NIHJTYFNCORPPB-QGZVFWFLSA-N 2 0 351.447 1.998 20 5 FDBDRP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185667703 536214970 /nfs/dbraw/zinc/21/49/70/536214970.db2.gz SEUIRGWEZROVSO-VBQJREDUSA-N 2 0 351.451 1.395 20 5 FDBDRP NC(=O)c1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420377803 538281782 /nfs/dbraw/zinc/28/17/82/538281782.db2.gz LFNAJULFQTYCFN-RDJZCZTQSA-N 2 0 362.430 1.412 20 5 FDBDRP CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000563490672 546555990 /nfs/dbraw/zinc/55/59/90/546555990.db2.gz PPTMWGRXWTXQJB-JTQLQIEISA-N 2 0 361.324 1.720 20 5 FDBDRP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])(N2CCOCC2)CC1 ZINC000569824321 549062086 /nfs/dbraw/zinc/06/20/86/549062086.db2.gz GLWBKFCAFOFCQN-SFHVURJKSA-N 2 0 374.485 1.968 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116521 550428368 /nfs/dbraw/zinc/42/83/68/550428368.db2.gz CPXRKUJDVHFRHO-HZPDHXFCSA-N 2 0 351.447 1.902 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736086 552187023 /nfs/dbraw/zinc/18/70/23/552187023.db2.gz FPLJZYJCHICZCI-ZMSDIMECSA-N 2 0 362.430 1.412 20 5 FDBDRP O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938459 553178099 /nfs/dbraw/zinc/17/80/99/553178099.db2.gz AWCHIAMMTUMCMW-LSDHHAIUSA-N 2 0 371.397 1.062 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602810765 553642316 /nfs/dbraw/zinc/64/23/16/553642316.db2.gz IUTXHWHTTVEXPN-HOCLYGCPSA-N 2 0 353.467 1.826 20 5 FDBDRP COC(=O)COc1ccc(CN[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415071242 679379571 /nfs/dbraw/zinc/37/95/71/679379571.db2.gz WFEFGCTWYVTLBS-CQSZACIVSA-N 2 0 351.403 1.754 20 5 FDBDRP COC(=O)COc1ccc(CN[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000415071241 679379595 /nfs/dbraw/zinc/37/95/95/679379595.db2.gz WFEFGCTWYVTLBS-AWEZNQCLSA-N 2 0 351.403 1.754 20 5 FDBDRP C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+](C)C)n1 ZINC000433629744 681205546 /nfs/dbraw/zinc/20/55/46/681205546.db2.gz YZRNXSQZFFYPPO-UHFFFAOYSA-N 2 0 352.483 2.494 20 5 FDBDRP C[NH+](C)CCNC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000934046205 780645808 /nfs/dbraw/zinc/64/58/08/780645808.db2.gz ZLIIGIBVDZMRSA-UHFFFAOYSA-N 2 0 350.423 1.030 20 5 FDBDRP C[C@@]1(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC000892787911 791231182 /nfs/dbraw/zinc/23/11/82/791231182.db2.gz CGDUYFDWQHWRHA-GOSISDBHSA-N 2 0 355.398 1.995 20 5 FDBDRP C[N@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511829479 800398671 /nfs/dbraw/zinc/39/86/71/800398671.db2.gz JHLRPUAVJUBMLQ-UHFFFAOYSA-N 2 0 372.473 1.541 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350744 813623912 /nfs/dbraw/zinc/62/39/12/813623912.db2.gz USBYLGUSFTXIFC-INIZCTEOSA-N 2 0 361.446 1.211 20 5 FDBDRP CN(C)C(=O)C1CC[NH+](C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169021073 928243835 /nfs/dbraw/zinc/24/38/35/928243835.db2.gz JSBHYWFLMCEXKW-MAUKXSAKSA-N 2 0 366.506 1.696 20 5 FDBDRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000819196113 943470576 /nfs/dbraw/zinc/47/05/76/943470576.db2.gz OZMJRJVRBRTLEB-QGZVFWFLSA-N 2 0 360.414 1.753 20 5 FDBDRP CN(CCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000289157277 1000078467 /nfs/dbraw/zinc/07/84/67/1000078467.db2.gz DJWUXMYSEUZUCZ-UHFFFAOYSA-N 2 0 365.478 1.739 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000190784283 178022464 /nfs/dbraw/zinc/02/24/64/178022464.db2.gz PARYFWXMAXGWBG-HNNXBMFYSA-N 2 0 363.462 1.665 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000274999273 181214898 /nfs/dbraw/zinc/21/48/98/181214898.db2.gz UBPKUPBNIZYALV-UHFFFAOYSA-N 2 0 353.423 1.041 20 5 FDBDRP CN(CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000126415432 173040902 /nfs/dbraw/zinc/04/09/02/173040902.db2.gz MKTQVDYVPXMSMI-UHFFFAOYSA-N 2 0 350.463 1.931 20 5 FDBDRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000139854260 173374796 /nfs/dbraw/zinc/37/47/96/173374796.db2.gz FPZOTLLJZUTEHP-RDJZCZTQSA-N 2 0 358.442 1.900 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178580390 174195589 /nfs/dbraw/zinc/19/55/89/174195589.db2.gz YAOYNAWBNJAENE-KRWDZBQOSA-N 2 0 364.446 1.018 20 5 FDBDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000330496901 259147675 /nfs/dbraw/zinc/14/76/75/259147675.db2.gz YQMALYBSEUXMMC-UHFFFAOYSA-N 2 0 370.475 1.241 20 5 FDBDRP C[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CCN1C1CC[NH+](C)CC1 ZINC000378369570 262011889 /nfs/dbraw/zinc/01/18/89/262011889.db2.gz KMFQBZJEMKQSRR-ZDUSSCGKSA-N 2 0 361.446 1.418 20 5 FDBDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610799 538669970 /nfs/dbraw/zinc/66/99/70/538669970.db2.gz TVTLSKUVXPVWHQ-DLBZAZTESA-N 2 0 364.494 1.891 20 5 FDBDRP Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000564429919 546911495 /nfs/dbraw/zinc/91/14/95/546911495.db2.gz HQCFOYSUXURWHU-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111917 548801615 /nfs/dbraw/zinc/80/16/15/548801615.db2.gz DUGMGFXMYFVWLL-RDJZCZTQSA-N 2 0 367.446 1.425 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCCC2)c1 ZINC000581879349 551144378 /nfs/dbraw/zinc/14/43/78/551144378.db2.gz FJRXKSJTHLVRLL-SFHVURJKSA-N 2 0 359.430 1.538 20 5 FDBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592489194 552000908 /nfs/dbraw/zinc/00/09/08/552000908.db2.gz SKXPKQPFPUPUGF-OCCSQVGLSA-N 2 0 350.419 1.991 20 5 FDBDRP Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000594804348 552391360 /nfs/dbraw/zinc/39/13/60/552391360.db2.gz XQSZWNNUHHJTNL-ZDUSSCGKSA-N 2 0 372.491 1.454 20 5 FDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000596100710 552655206 /nfs/dbraw/zinc/65/52/06/552655206.db2.gz AUTHYPNYSHNTLH-UHFFFAOYSA-N 2 0 364.446 1.684 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000597942977 552848578 /nfs/dbraw/zinc/84/85/78/552848578.db2.gz RNLURKPLXJFQPT-ZDUSSCGKSA-N 2 0 352.435 1.605 20 5 FDBDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000610760826 554558861 /nfs/dbraw/zinc/55/88/61/554558861.db2.gz BYXCVCIYYGSPGI-UHFFFAOYSA-N 2 0 365.430 1.691 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000505773796 688528437 /nfs/dbraw/zinc/52/84/37/688528437.db2.gz RQSXMWRMYLCXDN-CQSZACIVSA-N 2 0 351.451 1.421 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414477678 789121571 /nfs/dbraw/zinc/12/15/71/789121571.db2.gz BWHUNZFBSCVEIM-UHFFFAOYSA-N 2 0 362.474 1.789 20 5 FDBDRP C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](Cc2ccccc2)C1 ZINC000312747822 795929606 /nfs/dbraw/zinc/92/96/06/795929606.db2.gz YVCNMNPIKJPIAN-RTBURBONSA-N 2 0 373.457 1.654 20 5 FDBDRP COCC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414978795 817842597 /nfs/dbraw/zinc/84/25/97/817842597.db2.gz TYJZFCUXPMJCIT-AWEZNQCLSA-N 2 0 364.446 1.918 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459726261 838924145 /nfs/dbraw/zinc/92/41/45/838924145.db2.gz BMBUHGSNLHRRID-AWEZNQCLSA-N 2 0 365.430 1.968 20 5 FDBDRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000905533931 851998270 /nfs/dbraw/zinc/99/82/70/851998270.db2.gz NOZNXDLWVXAHRM-ARWYELJZSA-N 2 0 351.451 1.539 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505738 889529416 /nfs/dbraw/zinc/52/94/16/889529416.db2.gz DWCCSAIXUHCSRT-WMLDXEAASA-N 2 0 351.451 1.254 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000818984143 943371330 /nfs/dbraw/zinc/37/13/30/943371330.db2.gz YLMLEUAGFQVUQS-GOSISDBHSA-N 2 0 365.478 1.787 20 5 FDBDRP C[C@H](C[NH3+])C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698139 962587682 /nfs/dbraw/zinc/58/76/82/962587682.db2.gz VGCTXCQNHQOKSD-CYBMUJFWSA-N 2 0 370.475 1.275 20 5 FDBDRP CN(CCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000289395621 1000095983 /nfs/dbraw/zinc/09/59/83/1000095983.db2.gz KNRQERBHLQZMLY-QGZVFWFLSA-N 2 0 368.478 1.150 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274849591 181176649 /nfs/dbraw/zinc/17/66/49/181176649.db2.gz QSRVJDSJLCPHKH-AYOQOUSVSA-N 2 0 373.457 1.652 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000131133082 525829343 /nfs/dbraw/zinc/82/93/43/525829343.db2.gz WJUZBQXQWUIERR-UHFFFAOYSA-N 2 0 353.423 1.561 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1 ZINC000573476541 550146651 /nfs/dbraw/zinc/14/66/51/550146651.db2.gz PMJBCBCYWYARRH-ZDUSSCGKSA-N 2 0 353.444 1.442 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000574324455 550296051 /nfs/dbraw/zinc/29/60/51/550296051.db2.gz ZRGLJHGIAYXSJL-AEGPPILISA-N 2 0 362.430 1.991 20 5 FDBDRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579126516 550838928 /nfs/dbraw/zinc/83/89/28/550838928.db2.gz MVEJAVMEOANHRZ-SZMVWBNQSA-N 2 0 371.441 1.407 20 5 FDBDRP CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C[NH3+])C1 ZINC000591279331 551855474 /nfs/dbraw/zinc/85/54/74/551855474.db2.gz CTBVWCKOSPQBHF-SNVBAGLBSA-N 2 0 359.333 1.303 20 5 FDBDRP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000612576185 554809013 /nfs/dbraw/zinc/80/90/13/554809013.db2.gz SNBTYXWBQDPAQL-CYBMUJFWSA-N 2 0 355.460 1.688 20 5 FDBDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567996 555651907 /nfs/dbraw/zinc/65/19/07/555651907.db2.gz GTZCOKHDOUHKLW-IKGGRYGDSA-N 2 0 365.478 1.957 20 5 FDBDRP COc1ccc(NC(=O)CC[NH2+][C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])c1 ZINC000420364500 680436944 /nfs/dbraw/zinc/43/69/44/680436944.db2.gz PBEWPSOMVDFCFV-OAHLLOKOSA-N 2 0 350.419 1.910 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567459 681082409 /nfs/dbraw/zinc/08/24/09/681082409.db2.gz DNCGPDGTNLZBHA-OLZOCXBDSA-N 2 0 350.419 1.991 20 5 FDBDRP O=C(NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261910591 774550978 /nfs/dbraw/zinc/55/09/78/774550978.db2.gz SZCLEUHZTMZRAL-SJLPKXTDSA-N 2 0 360.458 1.718 20 5 FDBDRP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420326640 813616821 /nfs/dbraw/zinc/61/68/21/813616821.db2.gz COENADZRCNUBSF-MELADBBJSA-N 2 0 362.430 1.862 20 5 FDBDRP O=C(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CC[NH+](C2CCCCC2)CC1 ZINC001168991619 928215222 /nfs/dbraw/zinc/21/52/22/928215222.db2.gz ICLHUWRJFKPRHF-HOTGVXAUSA-N 2 0 352.479 1.498 20 5 FDBDRP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000788709610 932789901 /nfs/dbraw/zinc/78/99/01/932789901.db2.gz DVCXMGYBUOHSOR-BBRMVZONSA-N 2 0 365.478 1.920 20 5 FDBDRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000856586540 971237146 /nfs/dbraw/zinc/23/71/46/971237146.db2.gz SIAYKSPOBMKBKE-SFHVURJKSA-N 2 0 374.445 1.791 20 5 FDBDRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000863641906 973076914 /nfs/dbraw/zinc/07/69/14/973076914.db2.gz FZQCSYHBSYARRR-KPLAAQDZSA-N 2 0 372.425 1.865 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776278554 975294180 /nfs/dbraw/zinc/29/41/80/975294180.db2.gz REDMLNDRDSBIPD-KRWDZBQOSA-N 2 0 364.446 1.018 20 5 FDBDRP CNC(=O)c1ccc(N(CCC[NH+](C)C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000267056448 999294155 /nfs/dbraw/zinc/29/41/55/999294155.db2.gz AWOSFXVGYINFTL-UHFFFAOYSA-N 2 0 365.478 1.664 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000932035133 1004722415 /nfs/dbraw/zinc/72/24/15/1004722415.db2.gz YJBUWQLYIZNJFE-UHFFFAOYSA-N 2 0 354.426 1.618 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000101518584 172333083 /nfs/dbraw/zinc/33/30/83/172333083.db2.gz PEYKXWGCVDVPJM-OAHLLOKOSA-N 2 0 363.462 1.665 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000101518585 172333577 /nfs/dbraw/zinc/33/35/77/172333577.db2.gz PEYKXWGCVDVPJM-HNNXBMFYSA-N 2 0 363.462 1.665 20 5 FDBDRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929113 525984514 /nfs/dbraw/zinc/98/45/14/525984514.db2.gz DCMZEPUSDKAEIZ-HOTGVXAUSA-N 2 0 351.447 1.998 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678912 548208295 /nfs/dbraw/zinc/20/82/95/548208295.db2.gz DWKRAYWLPWOICD-IEBWSBKVSA-N 2 0 373.457 1.306 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000568056873 548382186 /nfs/dbraw/zinc/38/21/86/548382186.db2.gz DLWFFVIAVROIAS-UHFFFAOYSA-N 2 0 350.419 1.993 20 5 FDBDRP [NH3+]CCCOC1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000568884641 548720242 /nfs/dbraw/zinc/72/02/42/548720242.db2.gz SBCBKGWMXOOFGU-UHFFFAOYSA-N 2 0 371.459 1.198 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000571802023 549768957 /nfs/dbraw/zinc/76/89/57/549768957.db2.gz JTURPDHAUBTZJQ-QEJZJMRPSA-N 2 0 362.430 1.991 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116522 550428473 /nfs/dbraw/zinc/42/84/73/550428473.db2.gz CPXRKUJDVHFRHO-JKSUJKDBSA-N 2 0 351.447 1.902 20 5 FDBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000577062406 550616321 /nfs/dbraw/zinc/61/63/21/550616321.db2.gz AQRNRLVYNQQFGY-VHDGCEQUSA-N 2 0 360.414 1.952 20 5 FDBDRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000579126430 550838923 /nfs/dbraw/zinc/83/89/23/550838923.db2.gz MVEJAVMEOANHRZ-NJAFHUGGSA-N 2 0 371.441 1.407 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420410126 680441520 /nfs/dbraw/zinc/44/15/20/680441520.db2.gz RBAJVOBBUJHTJN-CHWSQXEVSA-N 2 0 350.419 1.849 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430567461 681082418 /nfs/dbraw/zinc/08/24/18/681082418.db2.gz DNCGPDGTNLZBHA-QWHCGFSZSA-N 2 0 350.419 1.991 20 5 FDBDRP O=C(NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1 ZINC000261910590 774550818 /nfs/dbraw/zinc/55/08/18/774550818.db2.gz SZCLEUHZTMZRAL-FUHWJXTLSA-N 2 0 360.458 1.718 20 5 FDBDRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339425 813610532 /nfs/dbraw/zinc/61/05/32/813610532.db2.gz YVPIIRVLKNJLJL-CVEARBPZSA-N 2 0 358.442 1.805 20 5 FDBDRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452344658 830614338 /nfs/dbraw/zinc/61/43/38/830614338.db2.gz ORCDUAASHJVEPA-HNNXBMFYSA-N 2 0 373.413 1.357 20 5 FDBDRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996959 928216170 /nfs/dbraw/zinc/21/61/70/928216170.db2.gz WYPPOPHEENJRGN-ZIAGYGMSSA-N 2 0 355.435 1.028 20 5 FDBDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818981953 943369939 /nfs/dbraw/zinc/36/99/39/943369939.db2.gz ZRVJKMVPKTWDDW-SFHVURJKSA-N 2 0 371.441 1.565 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CCC[N@H+](C)CC2)c1F ZINC001173187672 961956651 /nfs/dbraw/zinc/95/66/51/961956651.db2.gz FFZMVWUWKZZIOH-AWEZNQCLSA-N 2 0 368.453 1.901 20 5 FDBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550342 973005939 /nfs/dbraw/zinc/00/59/39/973005939.db2.gz VLLLKIBETUUPAJ-VUCTXSBTSA-N 2 0 360.414 1.913 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000877191048 993095368 /nfs/dbraw/zinc/09/53/68/993095368.db2.gz FNIKAKYYSBKAHS-FAFZWHIHSA-N 2 0 371.441 1.851 20 5 FDBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717472 259215404 /nfs/dbraw/zinc/21/54/04/259215404.db2.gz HDTXIYZXSMIXPL-CVEARBPZSA-N 2 0 364.494 1.891 20 5 FDBDRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000378438388 262025439 /nfs/dbraw/zinc/02/54/39/262025439.db2.gz VZNJCOLRLZJGDX-KRWDZBQOSA-N 2 0 362.474 1.933 20 5 FDBDRP C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000162143959 525219175 /nfs/dbraw/zinc/21/91/75/525219175.db2.gz ASUISZIHKVWXJB-ZDUSSCGKSA-N 2 0 370.475 1.193 20 5 FDBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423389866 538389307 /nfs/dbraw/zinc/38/93/07/538389307.db2.gz LYRACQBJPUNPCN-SWLSCSKDSA-N 2 0 360.380 1.952 20 5 FDBDRP O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cn1 ZINC000595891674 552629587 /nfs/dbraw/zinc/62/95/87/552629587.db2.gz LLMSFEONKICTDW-UHFFFAOYSA-N 2 0 353.426 1.958 20 5 FDBDRP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091380 552654335 /nfs/dbraw/zinc/65/43/35/552654335.db2.gz JEKPLCMDOODKPZ-ZIAGYGMSSA-N 2 0 372.473 2.287 20 5 FDBDRP C[NH+]1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)(N2CCOCC2)CC1 ZINC000602699348 553624237 /nfs/dbraw/zinc/62/42/37/553624237.db2.gz XQXOBVXMHNSJSF-UHFFFAOYSA-N 2 0 362.474 1.524 20 5 FDBDRP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@@H]3C2)ccnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376225585 786874610 /nfs/dbraw/zinc/87/46/10/786874610.db2.gz DPUAWJQHJAVVRX-HZPDHXFCSA-N 2 0 372.473 1.559 20 5 FDBDRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000923462830 889338713 /nfs/dbraw/zinc/33/87/13/889338713.db2.gz AZCRRMBTEXFVOR-UHFFFAOYSA-N 2 0 360.361 1.200 20 5 FDBDRP Cc1cc(F)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870020319 985524818 /nfs/dbraw/zinc/52/48/18/985524818.db2.gz MEVUBDGGPNHXGG-ZIAGYGMSSA-N 2 0 366.437 1.854 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000870024421 985535528 /nfs/dbraw/zinc/53/55/28/985535528.db2.gz BNWRRBNJFVNBLP-JSMQFAGNSA-N 2 0 360.458 1.806 20 5 FDBDRP Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237206203 178302987 /nfs/dbraw/zinc/30/29/87/178302987.db2.gz RSMNIKDQIFVLMM-UHFFFAOYSA-N 2 0 372.473 1.722 20 5 FDBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110201 172101411 /nfs/dbraw/zinc/10/14/11/172101411.db2.gz QRZFSXYJYWSLBU-HKUYNNGSSA-N 2 0 373.457 1.606 20 5 FDBDRP O=C(NC[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261796650 537253175 /nfs/dbraw/zinc/25/31/75/537253175.db2.gz ZPBAPICWMOYKHJ-JSGCOSHPSA-N 2 0 352.460 1.737 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292212302 537717283 /nfs/dbraw/zinc/71/72/83/537717283.db2.gz UFDDUQGXRGLANS-GOSISDBHSA-N 2 0 362.430 1.960 20 5 FDBDRP O=C1N[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397457 538285753 /nfs/dbraw/zinc/28/57/53/538285753.db2.gz FMMPYLLLQLWILG-QZTJIDSGSA-N 2 0 373.457 1.357 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625691 538324812 /nfs/dbraw/zinc/32/48/12/538324812.db2.gz CJNRSQXRGZBKJS-XQQFMLRXSA-N 2 0 350.419 1.847 20 5 FDBDRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905576 538851630 /nfs/dbraw/zinc/85/16/30/538851630.db2.gz KMZNJJSVOPSRSZ-UKRRQHHQSA-N 2 0 364.446 1.984 20 5 FDBDRP Cc1nccn1-c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000567566144 548162279 /nfs/dbraw/zinc/16/22/79/548162279.db2.gz GGGXKAYQMXSTEJ-HNNXBMFYSA-N 2 0 374.376 1.575 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000567891250 548311332 /nfs/dbraw/zinc/31/13/32/548311332.db2.gz STAVCAKMNUUAPG-CFVMTHIKSA-N 2 0 362.430 1.991 20 5 FDBDRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000569111916 548801088 /nfs/dbraw/zinc/80/10/88/548801088.db2.gz DUGMGFXMYFVWLL-NVXWUHKLSA-N 2 0 367.446 1.425 20 5 FDBDRP O=C(CCNC[C@@H](O)C[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000579354297 550864371 /nfs/dbraw/zinc/86/43/71/550864371.db2.gz URJVDZRDKVUPBM-CQSZACIVSA-N 2 0 350.419 1.360 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810766 553642357 /nfs/dbraw/zinc/64/23/57/553642357.db2.gz IUTXHWHTTVEXPN-ZBFHGGJFSA-N 2 0 353.467 1.826 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420410129 680441564 /nfs/dbraw/zinc/44/15/64/680441564.db2.gz RBAJVOBBUJHTJN-STQMWFEESA-N 2 0 350.419 1.849 20 5 FDBDRP COc1cc(C[NH2+]CCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414860797 790937581 /nfs/dbraw/zinc/93/75/81/790937581.db2.gz DOMMDAOBRCOKAI-UHFFFAOYSA-N 2 0 374.388 1.242 20 5 FDBDRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000905500274 851972214 /nfs/dbraw/zinc/97/22/14/851972214.db2.gz ABFCANDQULSSSO-GFEQUFNTSA-N 2 0 363.458 1.698 20 5 FDBDRP Cc1c(NC(=O)CC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000489912355 860199358 /nfs/dbraw/zinc/19/93/58/860199358.db2.gz VBDRUGFYSXNVOR-HNNXBMFYSA-N 2 0 361.446 1.211 20 5 FDBDRP COCCN1CCOC[C@]2(CCC[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C2)C1 ZINC001169022792 928245996 /nfs/dbraw/zinc/24/59/96/928245996.db2.gz SRKYAVAVSQTFOO-FGTMMUONSA-N 2 0 355.479 1.493 20 5 FDBDRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049602 928255650 /nfs/dbraw/zinc/25/56/50/928255650.db2.gz WUGNHGOFIQXCHW-BFYDXBDKSA-N 2 0 353.463 1.781 20 5 FDBDRP C[C@@H](C[NH3+])C[N@H+](C)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173698148 962587291 /nfs/dbraw/zinc/58/72/91/962587291.db2.gz VGCTXCQNHQOKSD-ZDUSSCGKSA-N 2 0 370.475 1.275 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931441541 1004166517 /nfs/dbraw/zinc/16/65/17/1004166517.db2.gz UMEPZAUBNPRZRH-UONOGXRCSA-N 2 0 362.430 1.816 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000176338547 174065926 /nfs/dbraw/zinc/06/59/26/174065926.db2.gz MQPNXGQQXVRUEX-CQSZACIVSA-N 2 0 363.462 1.665 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000170628286 525647186 /nfs/dbraw/zinc/64/71/86/525647186.db2.gz GLNGIXWJGPQGCX-OAHLLOKOSA-N 2 0 363.462 1.786 20 5 FDBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614595 538670864 /nfs/dbraw/zinc/67/08/64/538670864.db2.gz VYNPDWLGZRACOE-SJORKVTESA-N 2 0 364.494 1.892 20 5 FDBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@H]1[NH3+] ZINC000592487879 552000542 /nfs/dbraw/zinc/00/05/42/552000542.db2.gz AELBKEZACGNJNY-GXTWGEPZSA-N 2 0 350.419 1.991 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729447 552184693 /nfs/dbraw/zinc/18/46/93/552184693.db2.gz FFXQYKTVIGVFSB-BFYDXBDKSA-N 2 0 362.430 1.555 20 5 FDBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC000595907052 552631611 /nfs/dbraw/zinc/63/16/11/552631611.db2.gz DXSMAXOUDPCZHK-UHFFFAOYSA-N 2 0 373.461 1.861 20 5 FDBDRP O=c1[nH]ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000596096994 552654873 /nfs/dbraw/zinc/65/48/73/552654873.db2.gz BLNFYRPJVBQXKU-UHFFFAOYSA-N 2 0 358.402 1.715 20 5 FDBDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000436059335 681660847 /nfs/dbraw/zinc/66/08/47/681660847.db2.gz ATMXSXXUQBGTLY-HNNXBMFYSA-N 2 0 350.419 1.293 20 5 FDBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892929979 791718503 /nfs/dbraw/zinc/71/85/03/791718503.db2.gz YNPQTYJJPGQSTC-AWEZNQCLSA-N 2 0 366.462 1.672 20 5 FDBDRP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420330890 813620063 /nfs/dbraw/zinc/62/00/63/813620063.db2.gz IJOVZNZWZBSUER-OKILXGFUSA-N 2 0 362.430 1.863 20 5 FDBDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000420380823 813634882 /nfs/dbraw/zinc/63/48/82/813634882.db2.gz OIBKEIJPUXOWCC-INIZCTEOSA-N 2 0 373.417 1.311 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000531118875 830581773 /nfs/dbraw/zinc/58/17/73/830581773.db2.gz LQRXCHVCPAHYST-UHFFFAOYSA-N 2 0 361.446 1.501 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311822644 896565511 /nfs/dbraw/zinc/56/55/11/896565511.db2.gz QPMCGPYZKYUCIZ-AEFFLSMTSA-N 2 0 359.430 1.264 20 5 FDBDRP C[NH+](C)CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021914 928245314 /nfs/dbraw/zinc/24/53/14/928245314.db2.gz BBRYGUTXXMIGSD-JKSUJKDBSA-N 2 0 365.478 1.612 20 5 FDBDRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000818988449 943374972 /nfs/dbraw/zinc/37/49/72/943374972.db2.gz PZMXPMHUCRVJPR-IBGZPJMESA-N 2 0 362.474 1.776 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCN2CCC[N@H+](C)CC2)c1F ZINC001173187674 961957016 /nfs/dbraw/zinc/95/70/16/961957016.db2.gz FFZMVWUWKZZIOH-CQSZACIVSA-N 2 0 368.453 1.901 20 5 FDBDRP C[NH+](C)CCC[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173690750 962581862 /nfs/dbraw/zinc/58/18/62/962581862.db2.gz XWYBLSCEELBUFN-UHFFFAOYSA-N 2 0 370.475 1.289 20 5 FDBDRP COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC001175203399 963075761 /nfs/dbraw/zinc/07/57/61/963075761.db2.gz MYWGXCWMVNPSNW-UHFFFAOYSA-N 2 0 364.446 1.484 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000865246063 974196809 /nfs/dbraw/zinc/19/68/09/974196809.db2.gz XGYALVVOIMUNKH-ZIAGYGMSSA-N 2 0 365.503 1.963 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH+](C)C ZINC000870024420 985535126 /nfs/dbraw/zinc/53/51/26/985535126.db2.gz BNWRRBNJFVNBLP-GJWDQICYSA-N 2 0 360.458 1.806 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000523484256 539611446 /nfs/dbraw/zinc/61/14/46/539611446.db2.gz HQQGFPSBWALFJW-AWEZNQCLSA-N 2 0 351.451 1.421 20 5 FDBDRP CCc1n[nH]c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000275066760 181229494 /nfs/dbraw/zinc/22/94/94/181229494.db2.gz AFLZPCWJSMZVLT-UHFFFAOYSA-N 2 0 354.455 1.226 20 5 FDBDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000331295026 259185780 /nfs/dbraw/zinc/18/57/80/259185780.db2.gz YGEQRYAAXMRMCJ-UHFFFAOYSA-N 2 0 370.475 1.241 20 5 FDBDRP CC1(C[NH+]2CCOCC2)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000378431228 262024364 /nfs/dbraw/zinc/02/43/64/262024364.db2.gz FCJPHDHTWUAAAX-UHFFFAOYSA-N 2 0 364.446 1.191 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105590 525214381 /nfs/dbraw/zinc/21/43/81/525214381.db2.gz UFMFROONQQAZJD-DVOMOZLQSA-N 2 0 370.475 1.191 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000267362339 536969404 /nfs/dbraw/zinc/96/94/04/536969404.db2.gz WURIEFQQEACQIF-UHFFFAOYSA-N 2 0 351.451 1.523 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453423 537184343 /nfs/dbraw/zinc/18/43/43/537184343.db2.gz JZKCXTCAGQWAAC-JYJNAYRXSA-N 2 0 351.447 1.997 20 5 FDBDRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC12CCOCC2 ZINC000420321560 538264549 /nfs/dbraw/zinc/26/45/49/538264549.db2.gz CUORHGCFQFLLOK-AWEZNQCLSA-N 2 0 362.430 1.611 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000567678914 548208805 /nfs/dbraw/zinc/20/88/05/548208805.db2.gz DWKRAYWLPWOICD-PKOBYXMFSA-N 2 0 373.457 1.306 20 5 FDBDRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC[NH2+]CC2 ZINC000577171407 550627765 /nfs/dbraw/zinc/62/77/65/550627765.db2.gz GTRVXPFFJZYJKC-AWEZNQCLSA-N 2 0 358.442 1.948 20 5 FDBDRP Cc1cc(OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000578714736 550793116 /nfs/dbraw/zinc/79/31/16/550793116.db2.gz NZWXBEKNUGRQFZ-UHFFFAOYSA-N 2 0 352.435 1.234 20 5 FDBDRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599660323 553115494 /nfs/dbraw/zinc/11/54/94/553115494.db2.gz NIBMCGCEJQQQFU-GOSISDBHSA-N 2 0 361.446 1.736 20 5 FDBDRP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCN1CC[NH+](C)CC1 ZINC000182950594 672221105 /nfs/dbraw/zinc/22/11/05/672221105.db2.gz QQQNBRKHFRJAJQ-UHFFFAOYSA-N 2 0 350.463 1.933 20 5 FDBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528208 682554079 /nfs/dbraw/zinc/55/40/79/682554079.db2.gz IHAQEWIERKEWPY-BZUAXINKSA-N 2 0 350.467 1.501 20 5 FDBDRP Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262113446 774833293 /nfs/dbraw/zinc/83/32/93/774833293.db2.gz KTPWLNXAINYVDA-GOSISDBHSA-N 2 0 370.457 1.475 20 5 FDBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)o2)c1 ZINC000489882197 860151648 /nfs/dbraw/zinc/15/16/48/860151648.db2.gz GXAIAOGCKADTDT-KRWDZBQOSA-N 2 0 371.441 1.772 20 5 FDBDRP Cc1nc(NCC(C)(C)[NH+](C)C)nc(NCC(C)(C)[NH+](C)C)c1[N+](=O)[O-] ZINC000443422243 868651173 /nfs/dbraw/zinc/65/11/73/868651173.db2.gz HLBQUDLXRXXQLE-UHFFFAOYSA-N 2 0 367.498 1.041 20 5 FDBDRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168996949 928215834 /nfs/dbraw/zinc/21/58/34/928215834.db2.gz WYPPOPHEENJRGN-KBPBESRZSA-N 2 0 355.435 1.028 20 5 FDBDRP CN(C)C(=O)C1CC[NH+](C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169021078 928243484 /nfs/dbraw/zinc/24/34/84/928243484.db2.gz JSBHYWFLMCEXKW-YJBOKZPZSA-N 2 0 366.506 1.696 20 5 FDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854231943 968702113 /nfs/dbraw/zinc/70/21/13/968702113.db2.gz PPBNKBCMDMQXSA-ZDUSSCGKSA-N 2 0 363.462 1.818 20 5 FDBDRP CC(C)c1n[nH]c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000870020386 985525179 /nfs/dbraw/zinc/52/51/79/985525179.db2.gz OPVQWQLRDVLNCT-CHWSQXEVSA-N 2 0 366.466 1.253 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C[NH+](C)C ZINC000870023083 985531638 /nfs/dbraw/zinc/53/16/38/985531638.db2.gz KWZKRXFJBCBLAI-VXGBXAGGSA-N 2 0 367.425 1.128 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C[NH+](C)C ZINC000877670005 993429207 /nfs/dbraw/zinc/42/92/07/993429207.db2.gz DQFCGJUOTWTIGH-ZIAGYGMSSA-N 2 0 361.446 1.907 20 5 FDBDRP COCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000879125901 994559990 /nfs/dbraw/zinc/55/99/90/994559990.db2.gz LMIHWYBUANIKTC-SFHVURJKSA-N 2 0 351.447 1.918 20 5 FDBDRP Cc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000295591257 184085620 /nfs/dbraw/zinc/08/56/20/184085620.db2.gz SURAKVFABGXUFO-UHFFFAOYSA-N 2 0 357.418 1.712 20 5 FDBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000299547315 259005406 /nfs/dbraw/zinc/00/54/06/259005406.db2.gz KLLVAQQHSOPITL-UHFFFAOYSA-N 2 0 369.425 1.932 20 5 FDBDRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075642738 522950411 /nfs/dbraw/zinc/95/04/11/522950411.db2.gz SXJDNVSWMSLZTK-KRWDZBQOSA-N 2 0 353.467 1.596 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114477747 524815301 /nfs/dbraw/zinc/81/53/01/524815301.db2.gz DDZJVVMZOIYUFS-ZDUSSCGKSA-N 2 0 350.419 1.816 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184675997 536175561 /nfs/dbraw/zinc/17/55/61/536175561.db2.gz YKLMPLLAISNWKU-OAHLLOKOSA-N 2 0 364.446 1.789 20 5 FDBDRP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000504905575 538851557 /nfs/dbraw/zinc/85/15/57/538851557.db2.gz KMZNJJSVOPSRSZ-HIFRSBDPSA-N 2 0 364.446 1.984 20 5 FDBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]21 ZINC000577062403 550616491 /nfs/dbraw/zinc/61/64/91/550616491.db2.gz AQRNRLVYNQQFGY-AEGPPILISA-N 2 0 360.414 1.952 20 5 FDBDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000579222541 550848915 /nfs/dbraw/zinc/84/89/15/550848915.db2.gz XYOFHAHFXSHOCB-INMHGKMJSA-N 2 0 353.467 1.500 20 5 FDBDRP COc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000580893612 551030026 /nfs/dbraw/zinc/03/00/26/551030026.db2.gz WQBBASSIZOOYCV-KDOFPFPSSA-N 2 0 365.430 1.940 20 5 FDBDRP O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599938458 553178329 /nfs/dbraw/zinc/17/83/29/553178329.db2.gz AWCHIAMMTUMCMW-HUUCEWRRSA-N 2 0 371.397 1.062 20 5 FDBDRP Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000601334563 553378434 /nfs/dbraw/zinc/37/84/34/553378434.db2.gz ASQPGSHUCKGWNG-UHFFFAOYSA-N 2 0 364.493 1.079 20 5 FDBDRP CCC[NH+]1CCN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000362872168 676926179 /nfs/dbraw/zinc/92/61/79/676926179.db2.gz PBSJWCWFQYPCDT-UHFFFAOYSA-N 2 0 350.467 1.283 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430952432 681101427 /nfs/dbraw/zinc/10/14/27/681101427.db2.gz YWGULPRZLDYIMO-GFCCVEGCSA-N 2 0 350.419 1.991 20 5 FDBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](CCO)CC2)n1 ZINC000447526635 682554024 /nfs/dbraw/zinc/55/40/24/682554024.db2.gz DJWRUKXRUCQXQP-JKSUJKDBSA-N 2 0 351.451 1.569 20 5 FDBDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971859 943109407 /nfs/dbraw/zinc/10/94/07/943109407.db2.gz IBUTXNRZMHZJSX-YGRLFVJLSA-N 2 0 361.368 1.664 20 5 FDBDRP [NH2+]=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849097479 977314363 /nfs/dbraw/zinc/31/43/63/977314363.db2.gz IDWMSMOODQBQRK-UHFFFAOYSA-N 2 0 371.445 1.570 20 5 FDBDRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000870019671 985524097 /nfs/dbraw/zinc/52/40/97/985524097.db2.gz MJPKVBMPQRJNRZ-USXIJHARSA-N 2 0 362.474 1.896 20 5 FDBDRP Cc1nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2ccc([N+](=O)[O-])cc12 ZINC000872636252 987890599 /nfs/dbraw/zinc/89/05/99/987890599.db2.gz KGWMKQCUYBKKCR-HZPDHXFCSA-N 2 0 374.489 1.882 20 5 FDBDRP CCN1CC[NH+](CCCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876928685 992971729 /nfs/dbraw/zinc/97/17/29/992971729.db2.gz MEMNRDAIQLRTSN-UHFFFAOYSA-N 2 0 350.467 1.502 20 5 FDBDRP COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000877669418 993427503 /nfs/dbraw/zinc/42/75/03/993427503.db2.gz ILUGMODNXIGPTG-HZPDHXFCSA-N 2 0 350.463 1.775 20 5 FDBDRP CSc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000932035714 1004723320 /nfs/dbraw/zinc/72/33/20/1004723320.db2.gz ZIBRYMYCQNRKSF-UHFFFAOYSA-N 2 0 354.476 1.882 20 5 FDBDRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000539293396 540943661 /nfs/dbraw/zinc/94/36/61/540943661.db2.gz SGJUWTWFSMVXSR-CQSZACIVSA-N 2 0 351.451 1.791 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000057157306 522018355 /nfs/dbraw/zinc/01/83/55/522018355.db2.gz MDPWKXYKYUUAPB-UHFFFAOYSA-N 2 0 366.462 1.706 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000162105306 525214074 /nfs/dbraw/zinc/21/40/74/525214074.db2.gz UFMFROONQQAZJD-WWGRRREGSA-N 2 0 370.475 1.191 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000130278268 525738028 /nfs/dbraw/zinc/73/80/28/525738028.db2.gz JOZWYEVCIPWQKE-UHFFFAOYSA-N 2 0 361.446 1.570 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427488 537658418 /nfs/dbraw/zinc/65/84/18/537658418.db2.gz MBEOQDAIQRWFKC-ZVZYQTTQSA-N 2 0 351.447 1.997 20 5 FDBDRP O=C1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C2CC[NH2+]CC2)N1 ZINC000414994779 537953021 /nfs/dbraw/zinc/95/30/21/537953021.db2.gz VIRZERZIKIAZOP-VRQBABSCSA-N 2 0 358.442 1.844 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850543 547065811 /nfs/dbraw/zinc/06/58/11/547065811.db2.gz VPTZGYSIRDSCSW-RDJZCZTQSA-N 2 0 351.447 1.902 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000575116519 550428430 /nfs/dbraw/zinc/42/84/30/550428430.db2.gz CPXRKUJDVHFRHO-CVEARBPZSA-N 2 0 351.447 1.902 20 5 FDBDRP CCOC(=O)C1([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000577170825 550627701 /nfs/dbraw/zinc/62/77/01/550627701.db2.gz CZBQRINHWFQWJK-AWEZNQCLSA-N 2 0 365.430 1.885 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000591748361 551905607 /nfs/dbraw/zinc/90/56/07/551905607.db2.gz XDMSSAUNBOAIKI-KRWDZBQOSA-N 2 0 351.451 1.539 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736085 552187259 /nfs/dbraw/zinc/18/72/59/552187259.db2.gz FPLJZYJCHICZCI-YQQAZPJKSA-N 2 0 362.430 1.412 20 5 FDBDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601131505 553350820 /nfs/dbraw/zinc/35/08/20/553350820.db2.gz ZLYORSCOTRWNDD-GOSISDBHSA-N 2 0 369.425 1.886 20 5 FDBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000602844336 553649112 /nfs/dbraw/zinc/64/91/12/553649112.db2.gz AVNQRKIEWGZGGV-SFHVURJKSA-N 2 0 372.425 1.942 20 5 FDBDRP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@H]3C2)ccnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000376225583 786874109 /nfs/dbraw/zinc/87/41/09/786874109.db2.gz DPUAWJQHJAVVRX-HOTGVXAUSA-N 2 0 372.473 1.559 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000279443102 808997607 /nfs/dbraw/zinc/99/76/07/808997607.db2.gz NLMZALNRIFJCMD-UHFFFAOYSA-N 2 0 369.441 1.662 20 5 FDBDRP CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000771152245 930473098 /nfs/dbraw/zinc/47/30/98/930473098.db2.gz SISBTNJJJNXLBU-UHFFFAOYSA-N 2 0 368.438 1.499 20 5 FDBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819058050 943399016 /nfs/dbraw/zinc/39/90/16/943399016.db2.gz DGVAVDGQPLGWSO-MAUKXSAKSA-N 2 0 350.463 1.491 20 5 FDBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000819218868 943492794 /nfs/dbraw/zinc/49/27/94/943492794.db2.gz MBECWMLZRBKSJJ-PMACEKPBSA-N 2 0 371.437 1.985 20 5 FDBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCN(CCO)CCO)CC2 ZINC001172898778 961812106 /nfs/dbraw/zinc/81/21/06/961812106.db2.gz JFYHYDSKKUXCNF-QGZVFWFLSA-N 2 0 351.447 1.109 20 5 FDBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550283 973005581 /nfs/dbraw/zinc/00/55/81/973005581.db2.gz SRCBLVVCPRYYQI-JLZZUVOBSA-N 2 0 360.414 1.913 20 5 FDBDRP COc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000866012136 974620490 /nfs/dbraw/zinc/62/04/90/974620490.db2.gz RHKMOPJZEJMTNZ-CHWSQXEVSA-N 2 0 354.426 1.918 20 5 FDBDRP Cc1ccncc1N1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000534064350 540319852 /nfs/dbraw/zinc/31/98/52/540319852.db2.gz CPDHHZFAARQZBQ-MRXNPFEDSA-N 2 0 372.425 1.860 20 5 FDBDRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000548192984 542579834 /nfs/dbraw/zinc/57/98/34/542579834.db2.gz HPMLTSFCOVZTPW-UHFFFAOYSA-N 2 0 353.423 1.561 20 5 FDBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]21 ZINC000577062405 550616504 /nfs/dbraw/zinc/61/65/04/550616504.db2.gz AQRNRLVYNQQFGY-NWANDNLSSA-N 2 0 360.414 1.952 20 5 FDBDRP C[N@@H+]1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000578981883 550822225 /nfs/dbraw/zinc/82/22/25/550822225.db2.gz UDFDXPJAZBMXRS-UHFFFAOYSA-N 2 0 363.462 1.539 20 5 FDBDRP CCOc1ccc(NC(=O)CN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000579354539 550864419 /nfs/dbraw/zinc/86/44/19/550864419.db2.gz CQNNZFLYHYJRPI-NWANDNLSSA-N 2 0 362.430 1.991 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000602797409 553640794 /nfs/dbraw/zinc/64/07/94/553640794.db2.gz IRIXLBXVOMZFCQ-GDBMZVCRSA-N 2 0 350.467 1.058 20 5 FDBDRP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610805397 554564654 /nfs/dbraw/zinc/56/46/54/554564654.db2.gz CTFZZQVNUGNHKT-CYBMUJFWSA-N 2 0 370.475 1.193 20 5 FDBDRP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000610805398 554564745 /nfs/dbraw/zinc/56/47/45/554564745.db2.gz CTFZZQVNUGNHKT-ZDUSSCGKSA-N 2 0 370.475 1.193 20 5 FDBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470008042 684998893 /nfs/dbraw/zinc/99/88/93/684998893.db2.gz HPLNAXNVXTZXOB-ZDUSSCGKSA-N 2 0 350.419 1.280 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000505744166 816297359 /nfs/dbraw/zinc/29/73/59/816297359.db2.gz OSDPEDSRZFNWHY-HNNXBMFYSA-N 2 0 366.466 1.056 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000474346225 822726292 /nfs/dbraw/zinc/72/62/92/822726292.db2.gz AIYGEASHGYXLMT-UHFFFAOYSA-N 2 0 365.430 1.968 20 5 FDBDRP COc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000729684451 835244523 /nfs/dbraw/zinc/24/45/23/835244523.db2.gz QDVJMGDAZJISNT-UHFFFAOYSA-N 2 0 366.462 1.729 20 5 FDBDRP CN1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c(OCC[NH+](C)C)c2)CC1 ZINC001168740375 881208798 /nfs/dbraw/zinc/20/87/98/881208798.db2.gz GLJKXUIVVFRJCB-UHFFFAOYSA-N 2 0 350.423 1.129 20 5 FDBDRP C[N@H+](CCO)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173014093 961886375 /nfs/dbraw/zinc/88/63/75/961886375.db2.gz KMHUVPYSAJHRTJ-UHFFFAOYSA-N 2 0 372.416 1.746 20 5 FDBDRP CN(CC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000776592921 967278098 /nfs/dbraw/zinc/27/80/98/967278098.db2.gz CUIRSRNTSKGALE-GOSISDBHSA-N 2 0 350.463 1.586 20 5 FDBDRP COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866011943 974620758 /nfs/dbraw/zinc/62/07/58/974620758.db2.gz MZYVCSVRTCTOHE-HUUCEWRRSA-N 2 0 364.446 1.557 20 5 FDBDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000776276566 975290298 /nfs/dbraw/zinc/29/02/98/975290298.db2.gz JTTCOOVSWYLHLY-SFHVURJKSA-N 2 0 371.441 1.565 20 5 FDBDRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295521705 988690313 /nfs/dbraw/zinc/69/03/13/988690313.db2.gz QQKYOGFQNIBFEZ-OAHLLOKOSA-N 2 0 373.413 1.357 20 5 FDBDRP C[C@H]1C[NH+](CC2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000176226128 174059688 /nfs/dbraw/zinc/05/96/88/174059688.db2.gz PBHZKKLEOBYMGT-GJZGRUSLSA-N 2 0 351.451 1.613 20 5 FDBDRP CN(CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000177378344 174125566 /nfs/dbraw/zinc/12/55/66/174125566.db2.gz CSZNWGHDTPMLPZ-UHFFFAOYSA-N 2 0 350.463 1.931 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184135464 536102748 /nfs/dbraw/zinc/10/27/48/536102748.db2.gz YOXLEWVVFVBCFY-ZDUSSCGKSA-N 2 0 364.450 1.060 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248453427 537184090 /nfs/dbraw/zinc/18/40/90/537184090.db2.gz JZKCXTCAGQWAAC-XHSDSOJGSA-N 2 0 351.447 1.997 20 5 FDBDRP Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272870619 537352398 /nfs/dbraw/zinc/35/23/98/537352398.db2.gz SKYRUERSFZVEJN-UHFFFAOYSA-N 2 0 357.414 1.662 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245427486 537658367 /nfs/dbraw/zinc/65/83/67/537658367.db2.gz MBEOQDAIQRWFKC-LESCRADOSA-N 2 0 351.447 1.997 20 5 FDBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614589 538671157 /nfs/dbraw/zinc/67/11/57/538671157.db2.gz VYNPDWLGZRACOE-DLBZAZTESA-N 2 0 364.494 1.892 20 5 FDBDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000564763983 547028034 /nfs/dbraw/zinc/02/80/34/547028034.db2.gz SDUQLEHPCCLBNL-UHFFFAOYSA-N 2 0 365.430 1.968 20 5 FDBDRP CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000566162189 547633346 /nfs/dbraw/zinc/63/33/46/547633346.db2.gz YAQIWOBAKMIAHX-UHFFFAOYSA-N 2 0 372.491 1.271 20 5 FDBDRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000567008420 547962071 /nfs/dbraw/zinc/96/20/71/547962071.db2.gz FZQWGKXZTWEYJO-UHFFFAOYSA-N 2 0 352.435 1.477 20 5 FDBDRP Cc1nccn1-c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000567566145 548162452 /nfs/dbraw/zinc/16/24/52/548162452.db2.gz GGGXKAYQMXSTEJ-OAHLLOKOSA-N 2 0 374.376 1.575 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000568057186 548382501 /nfs/dbraw/zinc/38/25/01/548382501.db2.gz VEFAFGIFFJJZJU-UHFFFAOYSA-N 2 0 350.419 1.993 20 5 FDBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000574890350 550387460 /nfs/dbraw/zinc/38/74/60/550387460.db2.gz XFMUHMFRJMIZDZ-GOSISDBHSA-N 2 0 362.474 1.562 20 5 FDBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000430633240 681088046 /nfs/dbraw/zinc/08/80/46/681088046.db2.gz BQUDTDBNZXLYJR-CYBMUJFWSA-N 2 0 350.419 1.863 20 5 FDBDRP COc1c(O)ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000892948405 791956696 /nfs/dbraw/zinc/95/66/96/791956696.db2.gz QWVUDQAQXYRKEZ-AWEZNQCLSA-N 2 0 364.446 1.567 20 5 FDBDRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000413800198 814184632 /nfs/dbraw/zinc/18/46/32/814184632.db2.gz PSWUQVPSZOAZQT-OAHLLOKOSA-N 2 0 373.413 1.357 20 5 FDBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447533715 828778336 /nfs/dbraw/zinc/77/83/36/828778336.db2.gz YSKALSAGESVPSV-BRWVUGGUSA-N 2 0 364.494 1.891 20 5 FDBDRP COc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000490004619 860235244 /nfs/dbraw/zinc/23/52/44/860235244.db2.gz NMSXVJXEJMEYPC-UHFFFAOYSA-N 2 0 364.446 1.493 20 5 FDBDRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)c3cccc([N+](=O)[O-])c3)ccn2)CC1 ZINC000818962706 943344038 /nfs/dbraw/zinc/34/40/38/943344038.db2.gz WDDSMCJYNIPJKV-GOSISDBHSA-N 2 0 371.441 1.565 20 5 FDBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000819218500 943492811 /nfs/dbraw/zinc/49/28/11/943492811.db2.gz HSQWJUWVVALIRX-UXHICEINSA-N 2 0 371.437 1.985 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870025250 985536340 /nfs/dbraw/zinc/53/63/40/985536340.db2.gz OMIRXIBPJPHCMC-HUUCEWRRSA-N 2 0 364.446 1.171 20 5 FDBDRP Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522118454 539542790 /nfs/dbraw/zinc/54/27/90/539542790.db2.gz VANPLZMUVGVEJS-UHFFFAOYSA-N 2 0 372.429 1.270 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102450 525392139 /nfs/dbraw/zinc/39/21/39/525392139.db2.gz YYFKOMRSCFSNGO-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000120225285 526000749 /nfs/dbraw/zinc/00/07/49/526000749.db2.gz SZKHJSZVWWXSFP-UHFFFAOYSA-N 2 0 374.445 1.346 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183634232 536019412 /nfs/dbraw/zinc/01/94/12/536019412.db2.gz SBVSUSKPFOSEOI-CQSZACIVSA-N 2 0 364.450 1.870 20 5 FDBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246848279 537037960 /nfs/dbraw/zinc/03/79/60/537037960.db2.gz BFNUXFZCUIRKCM-XJKSGUPXSA-N 2 0 370.475 1.193 20 5 FDBDRP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414987557 537948747 /nfs/dbraw/zinc/94/87/47/537948747.db2.gz KKLZTBPSCUQDJZ-KDOFPFPSSA-N 2 0 362.430 1.340 20 5 FDBDRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857102 538816733 /nfs/dbraw/zinc/81/67/33/538816733.db2.gz XUQAZSNKOQPASR-DLBZAZTESA-N 2 0 360.458 1.983 20 5 FDBDRP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000578741115 550796376 /nfs/dbraw/zinc/79/63/76/550796376.db2.gz GLZLSMPGCWDIMQ-HNNXBMFYSA-N 2 0 363.462 1.397 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420417884 680442839 /nfs/dbraw/zinc/44/28/39/680442839.db2.gz WOAJQAHFTPUADL-QWHCGFSZSA-N 2 0 350.419 1.849 20 5 FDBDRP Cc1c(Cl)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1[N+](=O)[O-] ZINC000420460955 680463761 /nfs/dbraw/zinc/46/37/61/680463761.db2.gz SRNQNWAHXBZHJZ-UHFFFAOYSA-N 2 0 364.855 1.245 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430540153 681080306 /nfs/dbraw/zinc/08/03/06/681080306.db2.gz GLBBGLCIDOSTSF-STQMWFEESA-N 2 0 350.419 1.991 20 5 FDBDRP COc1c(O)ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892927950 791709232 /nfs/dbraw/zinc/70/92/32/791709232.db2.gz INMCPGBXCUTWLM-ZDUSSCGKSA-N 2 0 352.435 1.282 20 5 FDBDRP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@@H]2CC[NH+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000895741088 822724590 /nfs/dbraw/zinc/72/45/90/822724590.db2.gz YXDSIAXNTRJBFA-AAVRWANBSA-N 2 0 363.466 1.702 20 5 FDBDRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000452384531 830631221 /nfs/dbraw/zinc/63/12/21/830631221.db2.gz GHOZGJRVNZVGKP-HNNXBMFYSA-N 2 0 373.413 1.357 20 5 FDBDRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]CC[N+](=O)[O-])CC2)CC1 ZINC000905263967 851787402 /nfs/dbraw/zinc/78/74/02/851787402.db2.gz SPFOOTGMZOZLOJ-UHFFFAOYSA-N 2 0 356.467 1.717 20 5 FDBDRP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000788709613 932789961 /nfs/dbraw/zinc/78/99/61/932789961.db2.gz DVCXMGYBUOHSOR-CJNGLKHVSA-N 2 0 365.478 1.920 20 5 FDBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCN(CCO)CCO)CC2 ZINC001172898776 961811679 /nfs/dbraw/zinc/81/16/79/961811679.db2.gz JFYHYDSKKUXCNF-KRWDZBQOSA-N 2 0 351.447 1.109 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870017316 985518063 /nfs/dbraw/zinc/51/80/63/985518063.db2.gz JQNYMTLKFIYUQF-HUUCEWRRSA-N 2 0 366.437 1.474 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870024725 985536264 /nfs/dbraw/zinc/53/62/64/985536264.db2.gz HRTVPIUKULSXBH-CHWSQXEVSA-N 2 0 352.410 1.545 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420356863 538277496 /nfs/dbraw/zinc/27/74/96/538277496.db2.gz GWLJDTWYEIZJIA-OAHLLOKOSA-N 2 0 350.419 1.910 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470963 551998867 /nfs/dbraw/zinc/99/88/67/551998867.db2.gz PNKVCSIFFFAYEV-HZSPNIEDSA-N 2 0 353.444 1.346 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592470962 551998892 /nfs/dbraw/zinc/99/88/92/551998892.db2.gz PNKVCSIFFFAYEV-BFHYXJOUSA-N 2 0 353.444 1.346 20 5 FDBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC[C@@H]1[NH3+] ZINC000592487881 552000692 /nfs/dbraw/zinc/00/06/92/552000692.db2.gz AELBKEZACGNJNY-OCCSQVGLSA-N 2 0 350.419 1.991 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967559 553497225 /nfs/dbraw/zinc/49/72/25/553497225.db2.gz KLONVVKHVHFBMF-SUMDDJOVSA-N 2 0 373.457 1.510 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430540751 681080255 /nfs/dbraw/zinc/08/02/55/681080255.db2.gz AMZOSJXPQNJOEA-CHWSQXEVSA-N 2 0 350.419 1.991 20 5 FDBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608445 777024628 /nfs/dbraw/zinc/02/46/28/777024628.db2.gz FJZKHROXDAKNNL-AWEZNQCLSA-N 2 0 364.446 1.669 20 5 FDBDRP COc1c(O)ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892535035 786926215 /nfs/dbraw/zinc/92/62/15/786926215.db2.gz DEIXWNBVSHLOIG-OAHLLOKOSA-N 2 0 366.462 1.671 20 5 FDBDRP [NH3+]CCc1cn(-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c2ccc(O)cc12 ZINC001167984221 818554236 /nfs/dbraw/zinc/55/42/36/818554236.db2.gz YHTLRORZMRSJML-UHFFFAOYSA-N 2 0 354.370 1.222 20 5 FDBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819058052 943398695 /nfs/dbraw/zinc/39/86/95/943398695.db2.gz DGVAVDGQPLGWSO-YJBOKZPZSA-N 2 0 350.463 1.491 20 5 FDBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819058058 943398714 /nfs/dbraw/zinc/39/87/14/943398714.db2.gz DJVMQBYFDKHVEE-MAUKXSAKSA-N 2 0 350.463 1.491 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000819138495 943435754 /nfs/dbraw/zinc/43/57/54/943435754.db2.gz TVMSKGLYUXGOLR-VMBOVVBDSA-N 2 0 351.451 1.539 20 5 FDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000819172929 943460162 /nfs/dbraw/zinc/46/01/62/943460162.db2.gz HOICOFXVKWIOKS-GBESFXJTSA-N 2 0 363.458 1.986 20 5 FDBDRP CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012520 974621498 /nfs/dbraw/zinc/62/14/98/974621498.db2.gz FXHMTWNGPLDYDO-ZIAGYGMSSA-N 2 0 363.462 1.130 20 5 FDBDRP Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017965 985519117 /nfs/dbraw/zinc/51/91/17/985519117.db2.gz VILRONDWELJAAE-ZIAGYGMSSA-N 2 0 366.437 1.854 20 5 FDBDRP CN(CCC[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288576686 1000028900 /nfs/dbraw/zinc/02/89/00/1000028900.db2.gz BDBKDIDIIKEJAW-MRXNPFEDSA-N 2 0 368.478 1.150 20 5 FDBDRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000931482384 1004197563 /nfs/dbraw/zinc/19/75/63/1004197563.db2.gz GIAUESDVQJSZPC-UHFFFAOYSA-N 2 0 368.409 1.451 20 5 FDBDRP C[C@@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000397944530 537792211 /nfs/dbraw/zinc/79/22/11/537792211.db2.gz LJLBILDMVFUGMX-MOPGFXCFSA-N 2 0 373.457 1.797 20 5 FDBDRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000564989467 547148859 /nfs/dbraw/zinc/14/88/59/547148859.db2.gz MJUGALRQZBFRGO-AWEZNQCLSA-N 2 0 362.430 1.611 20 5 FDBDRP C[NH+](C)C1CCN(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000566111938 547608642 /nfs/dbraw/zinc/60/86/42/547608642.db2.gz IPJPMUMWZRMCJC-UHFFFAOYSA-N 2 0 363.462 1.539 20 5 FDBDRP CC1CC[NH+](C2CCC([NH2+]C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000576512406 550557601 /nfs/dbraw/zinc/55/76/01/550557601.db2.gz UBDBOCYATZEIDG-LEOMRAHMSA-N 2 0 365.478 1.785 20 5 FDBDRP CC(C)(CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000590695501 551806205 /nfs/dbraw/zinc/80/62/05/551806205.db2.gz FDXXJIHUIHUWLO-UHFFFAOYSA-N 2 0 373.413 1.309 20 5 FDBDRP CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000591279330 551855578 /nfs/dbraw/zinc/85/55/78/551855578.db2.gz CTBVWCKOSPQBHF-JTQLQIEISA-N 2 0 359.333 1.303 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([N+](=O)[O-])c1 ZINC000593736087 552187269 /nfs/dbraw/zinc/18/72/69/552187269.db2.gz FPLJZYJCHICZCI-ZOBUZTSGSA-N 2 0 362.430 1.412 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C[NH3+] ZINC000593737168 552187696 /nfs/dbraw/zinc/18/76/96/552187696.db2.gz RHNKMMRCEVZUKP-CZUORRHYSA-N 2 0 350.419 1.527 20 5 FDBDRP Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000594804317 552391468 /nfs/dbraw/zinc/39/14/68/552391468.db2.gz WSKHHDVZEWDEEG-AWEZNQCLSA-N 2 0 372.491 1.454 20 5 FDBDRP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091375 552654211 /nfs/dbraw/zinc/65/42/11/552654211.db2.gz JEKPLCMDOODKPZ-KGLIPLIRSA-N 2 0 372.473 2.287 20 5 FDBDRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000601967556 553496965 /nfs/dbraw/zinc/49/69/65/553496965.db2.gz KLONVVKHVHFBMF-AYBZRNKSSA-N 2 0 373.457 1.510 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419234 680443565 /nfs/dbraw/zinc/44/35/65/680443565.db2.gz XKEIEBTZBZOLAC-OLZOCXBDSA-N 2 0 350.419 1.849 20 5 FDBDRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430561044 681081806 /nfs/dbraw/zinc/08/18/06/681081806.db2.gz YPCNQISSHOMVIQ-UHFFFAOYSA-N 2 0 350.419 1.753 20 5 FDBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528209 682554041 /nfs/dbraw/zinc/55/40/41/682554041.db2.gz IHAQEWIERKEWPY-OAGGEKHMSA-N 2 0 350.467 1.501 20 5 FDBDRP CSc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000531357729 694831542 /nfs/dbraw/zinc/83/15/42/694831542.db2.gz BAAPHSMHIUQUCW-UHFFFAOYSA-N 2 0 354.476 1.882 20 5 FDBDRP O=C(CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1 ZINC000261973534 774602698 /nfs/dbraw/zinc/60/26/98/774602698.db2.gz BNJVYGOJOXXPKW-UHFFFAOYSA-N 2 0 362.430 1.260 20 5 FDBDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000364348090 784977207 /nfs/dbraw/zinc/97/72/07/784977207.db2.gz QDVKIWPZJVQKBA-PVAVHDDUSA-N 2 0 364.446 1.236 20 5 FDBDRP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1 ZINC000420331705 813620277 /nfs/dbraw/zinc/62/02/77/813620277.db2.gz IWYGKSGDKYDBRX-OKILXGFUSA-N 2 0 362.430 1.863 20 5 FDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000451978731 830481335 /nfs/dbraw/zinc/48/13/35/830481335.db2.gz GANGHFPPNJWRRB-UHFFFAOYSA-N 2 0 363.462 1.539 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505739 889530399 /nfs/dbraw/zinc/53/03/99/889530399.db2.gz DWCCSAIXUHCSRT-YOEHRIQHSA-N 2 0 351.451 1.254 20 5 FDBDRP CC(C)[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000819058954 943398299 /nfs/dbraw/zinc/39/82/99/943398299.db2.gz AODITQRVVOKIEQ-ROUUACIJSA-N 2 0 350.463 1.490 20 5 FDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000819218873 943493079 /nfs/dbraw/zinc/49/30/79/943493079.db2.gz MBECWMLZRBKSJJ-VQTJNVASSA-N 2 0 371.437 1.985 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1C[NH+](C)C ZINC000870019776 985524113 /nfs/dbraw/zinc/52/41/13/985524113.db2.gz PPOQMSWLJGMAET-VXGBXAGGSA-N 2 0 367.425 1.128 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)c1 ZINC000877620402 993386030 /nfs/dbraw/zinc/38/60/30/993386030.db2.gz IETKBXPQKURXJL-UHFFFAOYSA-N 2 0 363.462 1.975 20 5 FDBDRP CCc1nn(C)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000271253004 999680624 /nfs/dbraw/zinc/68/06/24/999680624.db2.gz JMOQZYCGUDOOPS-UHFFFAOYSA-N 2 0 373.461 1.910 20 5 FDBDRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000931484946 1004202634 /nfs/dbraw/zinc/20/26/34/1004202634.db2.gz REYJXVIDLMYQAS-UHFFFAOYSA-N 2 0 350.419 1.312 20 5 FDBDRP CN(CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000089269131 172240670 /nfs/dbraw/zinc/24/06/70/172240670.db2.gz RVMRKOJNXDAPFL-UHFFFAOYSA-N 2 0 350.463 1.931 20 5 FDBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000299534764 259004572 /nfs/dbraw/zinc/00/45/72/259004572.db2.gz HOIGWRUSLNRJFX-UHFFFAOYSA-N 2 0 369.425 1.932 20 5 FDBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CC[NH+](C)CC1 ZINC000331719023 259215389 /nfs/dbraw/zinc/21/53/89/259215389.db2.gz IEYKFPSNIVMKSW-BZUAXINKSA-N 2 0 350.467 1.501 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000114199058 524759843 /nfs/dbraw/zinc/75/98/43/524759843.db2.gz FIFFUBVBTPPMIC-CYBMUJFWSA-N 2 0 350.419 1.816 20 5 FDBDRP C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(CCc2ccccn2)CC1 ZINC000177256073 525262454 /nfs/dbraw/zinc/26/24/54/525262454.db2.gz MTBMRRRIGRGNST-UHFFFAOYSA-N 2 0 358.446 1.825 20 5 FDBDRP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362482661 537597688 /nfs/dbraw/zinc/59/76/88/537597688.db2.gz GFQLLHYMAIBOLF-OALUTQOASA-N 2 0 362.474 1.729 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414805196 537916639 /nfs/dbraw/zinc/91/66/39/537916639.db2.gz PIDYIRLFVZEVAC-ZIAGYGMSSA-N 2 0 351.403 1.754 20 5 FDBDRP COc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414968174 537945292 /nfs/dbraw/zinc/94/52/92/537945292.db2.gz FQIITMNBYFNGIK-AWEZNQCLSA-N 2 0 362.352 1.529 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420342877 538269386 /nfs/dbraw/zinc/26/93/86/538269386.db2.gz QJILAMHINJTEPE-KGLIPLIRSA-N 2 0 362.430 1.863 20 5 FDBDRP CSC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000568751954 548665629 /nfs/dbraw/zinc/66/56/29/548665629.db2.gz BLNWTSZFHUVYHZ-HNNXBMFYSA-N 2 0 369.487 1.752 20 5 FDBDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000597943313 552848666 /nfs/dbraw/zinc/84/86/66/552848666.db2.gz XQDXRBZIGJXAMJ-ZDUSSCGKSA-N 2 0 354.426 1.665 20 5 FDBDRP O=[N+]([O-])c1c(N[C@@H]2CC[NH+](C3CC3)C2)ncnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000603279145 553752021 /nfs/dbraw/zinc/75/20/21/553752021.db2.gz NOAISZUSWNTTRA-CHWSQXEVSA-N 2 0 373.461 1.682 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414835256 679370836 /nfs/dbraw/zinc/37/08/36/679370836.db2.gz IEFOUARXFFSYKA-CYBMUJFWSA-N 2 0 351.403 1.626 20 5 FDBDRP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065978 682226077 /nfs/dbraw/zinc/22/60/77/682226077.db2.gz DCGAAKZBEOOREC-OLZOCXBDSA-N 2 0 350.419 1.991 20 5 FDBDRP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065977 682226143 /nfs/dbraw/zinc/22/61/43/682226143.db2.gz DCGAAKZBEOOREC-CHWSQXEVSA-N 2 0 350.419 1.991 20 5 FDBDRP C[NH+](C)C(C)(C)CNc1nc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000443424828 682296231 /nfs/dbraw/zinc/29/62/31/682296231.db2.gz HCAJXADOUPASLP-UHFFFAOYSA-N 2 0 358.512 2.556 20 5 FDBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528211 682554087 /nfs/dbraw/zinc/55/40/87/682554087.db2.gz IHAQEWIERKEWPY-OWCLPIDISA-N 2 0 350.467 1.501 20 5 FDBDRP C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(N3CC([NH+](C)C)C3)c2[N+](=O)[O-])C1 ZINC000273334007 912601118 /nfs/dbraw/zinc/60/11/18/912601118.db2.gz RMESTPUWXPFJPQ-UHFFFAOYSA-N 2 0 364.406 1.003 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505737 889529749 /nfs/dbraw/zinc/52/97/49/889529749.db2.gz DWCCSAIXUHCSRT-RHSMWYFYSA-N 2 0 351.451 1.254 20 5 FDBDRP CC(=O)Nc1cc(N[C@@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001170904847 943267992 /nfs/dbraw/zinc/26/79/92/943267992.db2.gz QOGQTZFHFUSONK-GFCCVEGCSA-N 2 0 360.212 1.751 20 5 FDBDRP CN(CC[NH3+])CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173008559 961882310 /nfs/dbraw/zinc/88/23/10/961882310.db2.gz BOWALIFJBHNZKM-UHFFFAOYSA-N 2 0 357.405 1.322 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(Cn2ncc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH+](C)C ZINC000872637980 987893557 /nfs/dbraw/zinc/89/35/57/987893557.db2.gz VDVCNWJPFSGPIX-HZPDHXFCSA-N 2 0 360.462 1.573 20 5 FDBDRP CN(C)c1cc(F)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000826099706 994629145 /nfs/dbraw/zinc/62/91/45/994629145.db2.gz BRVZCFFRVOBBLP-UHFFFAOYSA-N 2 0 369.441 1.365 20 5 FDBDRP C[NH+](C)CC1(O)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000931481792 1004197580 /nfs/dbraw/zinc/19/75/80/1004197580.db2.gz MONSUHLFFMJIHO-UHFFFAOYSA-N 2 0 350.419 1.312 20 5 FDBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295104702 184034006 /nfs/dbraw/zinc/03/40/06/184034006.db2.gz KXEIODOSJOAAEE-HOCLYGCPSA-N 2 0 364.446 1.748 20 5 FDBDRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000171656443 258267861 /nfs/dbraw/zinc/26/78/61/258267861.db2.gz RQWHVKAENLXJHS-UHFFFAOYSA-N 2 0 364.446 1.363 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000548748647 542770338 /nfs/dbraw/zinc/77/03/38/542770338.db2.gz IZWKYJKTIMRHKG-UHFFFAOYSA-N 2 0 351.451 1.272 20 5 FDBDRP CN1CC[NH+](CC2(C)CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000375234922 261294668 /nfs/dbraw/zinc/29/46/68/261294668.db2.gz VEGPQPBQDCCKCF-UHFFFAOYSA-N 2 0 350.467 1.141 20 5 FDBDRP Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000104102807 525390199 /nfs/dbraw/zinc/39/01/99/525390199.db2.gz VIMOVXAWSFLGOS-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000263708546 537074058 /nfs/dbraw/zinc/07/40/58/537074058.db2.gz QAPRFRFJRQBORR-ZDUSSCGKSA-N 2 0 352.439 1.114 20 5 FDBDRP COC(=O)COc1ccc(CN2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000490087882 538847149 /nfs/dbraw/zinc/84/71/49/538847149.db2.gz OKEBORCUOCVQKE-AWEZNQCLSA-N 2 0 351.403 1.850 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000571802021 549768097 /nfs/dbraw/zinc/76/80/97/549768097.db2.gz JTURPDHAUBTZJQ-CFVMTHIKSA-N 2 0 362.430 1.991 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000593736537 552187075 /nfs/dbraw/zinc/18/70/75/552187075.db2.gz ANCPCSXECXTBGU-MLGOLLRUSA-N 2 0 366.418 1.228 20 5 FDBDRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC000593737345 552187703 /nfs/dbraw/zinc/18/77/03/552187703.db2.gz XYTBPQNZZYCTQS-CZUORRHYSA-N 2 0 350.419 1.527 20 5 FDBDRP COc1cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000597943207 552848561 /nfs/dbraw/zinc/84/85/61/552848561.db2.gz VQDUZCJFWZUNIW-ZDUSSCGKSA-N 2 0 366.462 1.914 20 5 FDBDRP O=[N+]([O-])c1ccc2nccc(N3CCC(O)(C[NH+]4CCOCC4)CC3)c2c1 ZINC000601140545 553351808 /nfs/dbraw/zinc/35/18/08/553351808.db2.gz YBEVUEZCISVCLG-UHFFFAOYSA-N 2 0 372.425 1.807 20 5 FDBDRP CCOc1cc(CN(C)CC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000602989046 553686993 /nfs/dbraw/zinc/68/69/93/553686993.db2.gz BPCNMCPCVXPPJW-UHFFFAOYSA-N 2 0 350.419 1.199 20 5 FDBDRP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618567998 555651657 /nfs/dbraw/zinc/65/16/57/555651657.db2.gz GTZCOKHDOUHKLW-ZACQAIPSSA-N 2 0 365.478 1.957 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000474349133 685394100 /nfs/dbraw/zinc/39/41/00/685394100.db2.gz GSRIVTFRLLFEPD-UHFFFAOYSA-N 2 0 351.403 1.578 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430946317 681101209 /nfs/dbraw/zinc/10/12/09/681101209.db2.gz VSMOEHYJSGUJHZ-LBPRGKRZSA-N 2 0 350.419 1.991 20 5 FDBDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000483133355 686469858 /nfs/dbraw/zinc/46/98/58/686469858.db2.gz YVRPRQXAKONULM-MRXNPFEDSA-N 2 0 350.463 1.636 20 5 FDBDRP O=C(NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261910588 774551009 /nfs/dbraw/zinc/55/10/09/774551009.db2.gz SZCLEUHZTMZRAL-AEFFLSMTSA-N 2 0 360.458 1.718 20 5 FDBDRP COc1c(O)ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000892535034 786926575 /nfs/dbraw/zinc/92/65/75/786926575.db2.gz DEIXWNBVSHLOIG-HNNXBMFYSA-N 2 0 366.462 1.671 20 5 FDBDRP COC(=O)[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001167901421 809191834 /nfs/dbraw/zinc/19/18/34/809191834.db2.gz RBKIKERRXAYBGU-CYBMUJFWSA-N 2 0 354.407 1.228 20 5 FDBDRP COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459726262 838924036 /nfs/dbraw/zinc/92/40/36/838924036.db2.gz BMBUHGSNLHRRID-CQSZACIVSA-N 2 0 365.430 1.968 20 5 FDBDRP C[NH+](C)CCOCc1ncn2c1C[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169021912 928244819 /nfs/dbraw/zinc/24/48/19/928244819.db2.gz BBRYGUTXXMIGSD-HZPDHXFCSA-N 2 0 365.478 1.612 20 5 FDBDRP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1 ZINC001169049603 928254816 /nfs/dbraw/zinc/25/48/16/928254816.db2.gz WUGNHGOFIQXCHW-INMHGKMJSA-N 2 0 353.463 1.781 20 5 FDBDRP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863641998 973076993 /nfs/dbraw/zinc/07/69/93/973076993.db2.gz HTLVLKPRJRYPLG-SJORKVTESA-N 2 0 360.414 1.660 20 5 FDBDRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876990899 992997255 /nfs/dbraw/zinc/99/72/55/992997255.db2.gz QATNDPHHYTZYMD-UHFFFAOYSA-N 2 0 371.445 1.431 20 5 FDBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000543835381 541669942 /nfs/dbraw/zinc/66/99/42/541669942.db2.gz VALBPZMZTWYQIH-UHFFFAOYSA-N 2 0 374.388 1.762 20 5 FDBDRP O=C1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CN1CCN1CCOCC1 ZINC000178903808 258339307 /nfs/dbraw/zinc/33/93/07/258339307.db2.gz PDNUCXWYYSJZPF-RCFWFJCLSA-N 2 0 374.441 1.131 20 5 FDBDRP CC[NH+](CC)C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181929132 525985759 /nfs/dbraw/zinc/98/57/59/525985759.db2.gz DCMZEPUSDKAEIZ-CVEARBPZSA-N 2 0 351.447 1.998 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516689 536971554 /nfs/dbraw/zinc/97/15/54/536971554.db2.gz UIRLBKUPCMLGOE-KBPBESRZSA-N 2 0 370.475 1.193 20 5 FDBDRP CSC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000565947599 547541436 /nfs/dbraw/zinc/54/14/36/547541436.db2.gz OVTKZYGYJXFBCY-CQSZACIVSA-N 2 0 369.487 1.752 20 5 FDBDRP CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000580871992 551027187 /nfs/dbraw/zinc/02/71/87/551027187.db2.gz YLYRFANXGKEKHJ-UHFFFAOYSA-N 2 0 367.450 1.951 20 5 FDBDRP NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c([N+](=O)[O-])c1 ZINC000593729449 552184566 /nfs/dbraw/zinc/18/45/66/552184566.db2.gz FFXQYKTVIGVFSB-UXLLHSPISA-N 2 0 362.430 1.555 20 5 FDBDRP COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414974262 679375287 /nfs/dbraw/zinc/37/52/87/679375287.db2.gz MDIXOJDFDNBENC-UHFFFAOYSA-N 2 0 353.419 1.718 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430540152 681080357 /nfs/dbraw/zinc/08/03/57/681080357.db2.gz GLBBGLCIDOSTSF-QWHCGFSZSA-N 2 0 350.419 1.991 20 5 FDBDRP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443065980 682226130 /nfs/dbraw/zinc/22/61/30/682226130.db2.gz DCGAAKZBEOOREC-STQMWFEESA-N 2 0 350.419 1.991 20 5 FDBDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000467864513 684881147 /nfs/dbraw/zinc/88/11/47/684881147.db2.gz OEYSNHVCQNXOFU-MRXNPFEDSA-N 2 0 350.463 1.636 20 5 FDBDRP O=C([C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CC[NH2+]CC1 ZINC000470002163 684998434 /nfs/dbraw/zinc/99/84/34/684998434.db2.gz HEFDDJXAXFSJNL-CQSZACIVSA-N 2 0 366.849 1.892 20 5 FDBDRP Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000498336025 687780603 /nfs/dbraw/zinc/78/06/03/687780603.db2.gz MTGAAYCPQCSVHR-UHFFFAOYSA-N 2 0 351.451 1.644 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c1 ZINC000923505736 889529395 /nfs/dbraw/zinc/52/93/95/889529395.db2.gz DWCCSAIXUHCSRT-PBHICJAKSA-N 2 0 351.451 1.254 20 5 FDBDRP C[NH+](C)CCOc1cc(NCc2ncn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001169243798 928372706 /nfs/dbraw/zinc/37/27/06/928372706.db2.gz UCQXMOYEQNWTLQ-UHFFFAOYSA-N 2 0 374.445 1.837 20 5 FDBDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817971856 943109336 /nfs/dbraw/zinc/10/93/36/943109336.db2.gz IBUTXNRZMHZJSX-HZMBPMFUSA-N 2 0 361.368 1.664 20 5 FDBDRP CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000819062449 943425747 /nfs/dbraw/zinc/42/57/47/943425747.db2.gz PYJOLOLDHFOMTN-QZTJIDSGSA-N 2 0 350.463 1.490 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH+](C)C ZINC000866012659 974621510 /nfs/dbraw/zinc/62/15/10/974621510.db2.gz MOIHRRJIRQYYRZ-ZIAGYGMSSA-N 2 0 358.446 1.714 20 5 FDBDRP COCC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000879125441 994559809 /nfs/dbraw/zinc/55/98/09/994559809.db2.gz CDJFOMMQFPHTTP-SFHVURJKSA-N 2 0 351.447 1.918 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000931441141 1004164752 /nfs/dbraw/zinc/16/47/52/1004164752.db2.gz OLUXUEKZVNHPCR-UONOGXRCSA-N 2 0 362.430 1.816 20 5 FDBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000534135542 540328420 /nfs/dbraw/zinc/32/84/20/540328420.db2.gz JWUWEXHFPISJQK-MRXNPFEDSA-N 2 0 352.435 1.189 20 5 FDBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295104703 184034040 /nfs/dbraw/zinc/03/40/40/184034040.db2.gz KXEIODOSJOAAEE-ZBFHGGJFSA-N 2 0 364.446 1.748 20 5 FDBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000331717473 259215264 /nfs/dbraw/zinc/21/52/64/259215264.db2.gz HDTXIYZXSMIXPL-HOTGVXAUSA-N 2 0 364.494 1.891 20 5 FDBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cc1[N+](=O)[O-] ZINC000168915774 525621517 /nfs/dbraw/zinc/62/15/17/525621517.db2.gz PQZGBOIZZMRUGU-QGZVFWFLSA-N 2 0 364.490 1.944 20 5 FDBDRP CCn1cc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000191793875 537212549 /nfs/dbraw/zinc/21/25/49/537212549.db2.gz ASXVZYPTNQERPY-CQSZACIVSA-N 2 0 366.466 1.299 20 5 FDBDRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000469857107 538817129 /nfs/dbraw/zinc/81/71/29/538817129.db2.gz XUQAZSNKOQPASR-SJORKVTESA-N 2 0 360.458 1.983 20 5 FDBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000564850544 547066228 /nfs/dbraw/zinc/06/62/28/547066228.db2.gz VPTZGYSIRDSCSW-WBVHZDCISA-N 2 0 351.447 1.902 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000567685884 548212015 /nfs/dbraw/zinc/21/20/15/548212015.db2.gz PNCUOIRYZFWEEB-QGZVFWFLSA-N 2 0 360.418 1.053 20 5 FDBDRP Cc1ccc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000581166718 551059086 /nfs/dbraw/zinc/05/90/86/551059086.db2.gz OZBHNTTVBUXDPZ-UHFFFAOYSA-N 2 0 372.491 1.326 20 5 FDBDRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000582058150 551169919 /nfs/dbraw/zinc/16/99/19/551169919.db2.gz QQIPHFRMVGGSIV-QGZVFWFLSA-N 2 0 353.467 1.500 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602810763 553642686 /nfs/dbraw/zinc/64/26/86/553642686.db2.gz IUTXHWHTTVEXPN-GDBMZVCRSA-N 2 0 353.467 1.826 20 5 FDBDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000436059837 681661550 /nfs/dbraw/zinc/66/15/50/681661550.db2.gz LVRWWBPECBBMRV-HNNXBMFYSA-N 2 0 350.419 1.293 20 5 FDBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000531723367 694847587 /nfs/dbraw/zinc/84/75/87/694847587.db2.gz NFHLEJUNPPPKTB-ZDUSSCGKSA-N 2 0 350.419 1.358 20 5 FDBDRP O=[N+]([O-])c1cnc(N2CC3(CC[NH2+]CC3)c3ccccc32)nc1C1C[NH2+]C1 ZINC001167069320 770069132 /nfs/dbraw/zinc/06/91/32/770069132.db2.gz DOWARRNMWTXAMW-UHFFFAOYSA-N 2 0 366.425 1.845 20 5 FDBDRP O=[N+]([O-])c1c(N2CC[NH+]3CCC[C@H]3C2)ccnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376225586 786874367 /nfs/dbraw/zinc/87/43/67/786874367.db2.gz DPUAWJQHJAVVRX-JKSUJKDBSA-N 2 0 372.473 1.559 20 5 FDBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892929980 791718540 /nfs/dbraw/zinc/71/85/40/791718540.db2.gz YNPQTYJJPGQSTC-CQSZACIVSA-N 2 0 366.462 1.672 20 5 FDBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CN1CC[NH+](C)CC1 ZINC000518475267 817889501 /nfs/dbraw/zinc/88/95/01/817889501.db2.gz WJZIMIHUWZIDHN-BRWVUGGUSA-N 2 0 364.494 1.748 20 5 FDBDRP [NH3+]CCC(=O)CCC(=O)CCC(=O)CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168996952 928216484 /nfs/dbraw/zinc/21/64/84/928216484.db2.gz WYPPOPHEENJRGN-KGLIPLIRSA-N 2 0 355.435 1.028 20 5 FDBDRP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169024001 928247962 /nfs/dbraw/zinc/24/79/62/928247962.db2.gz WPKMOXHYHVYUSP-RDJZCZTQSA-N 2 0 362.474 1.256 20 5 FDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000819172930 943460183 /nfs/dbraw/zinc/46/01/83/943460183.db2.gz HOICOFXVKWIOKS-GUDVDZBRSA-N 2 0 363.458 1.986 20 5 FDBDRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854231941 968701843 /nfs/dbraw/zinc/70/18/43/968701843.db2.gz PPBNKBCMDMQXSA-CYBMUJFWSA-N 2 0 363.462 1.818 20 5 FDBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364656935 989703043 /nfs/dbraw/zinc/70/30/43/989703043.db2.gz LGVMCHNUGCRSEP-WCXIOVBPSA-N 2 0 361.442 1.751 20 5 FDBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)C2)c1 ZINC000877089780 993041567 /nfs/dbraw/zinc/04/15/67/993041567.db2.gz POFMOCHZLKKBRA-MUDYYLEHSA-N 2 0 363.462 1.852 20 5 FDBDRP CN(CCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288576683 1000029045 /nfs/dbraw/zinc/02/90/45/1000029045.db2.gz BDBKDIDIIKEJAW-INIZCTEOSA-N 2 0 368.478 1.150 20 5 FDBDRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000299570126 259006979 /nfs/dbraw/zinc/00/69/79/259006979.db2.gz PHDQZUULBNZFFU-UHFFFAOYSA-N 2 0 359.386 1.525 20 5 FDBDRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000367485450 260049493 /nfs/dbraw/zinc/04/94/93/260049493.db2.gz XZUOCDZCFQOAKY-BHIYHBOVSA-N 2 0 373.457 1.825 20 5 FDBDRP C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000119047575 525617532 /nfs/dbraw/zinc/61/75/32/525617532.db2.gz KTJYCOHSPLVVAT-BLLLJJGKSA-N 2 0 359.386 1.229 20 5 FDBDRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248437785 537181849 /nfs/dbraw/zinc/18/18/49/537181849.db2.gz BMVLXJAJZJTARX-HZPDHXFCSA-N 2 0 351.447 1.998 20 5 FDBDRP CCc1n[nH]c(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1[N+](=O)[O-] ZINC000444156350 538122251 /nfs/dbraw/zinc/12/22/51/538122251.db2.gz NWXLZBPOMZGGBW-ZDUSSCGKSA-N 2 0 366.466 1.368 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000567685883 548212100 /nfs/dbraw/zinc/21/21/00/548212100.db2.gz PNCUOIRYZFWEEB-KRWDZBQOSA-N 2 0 360.418 1.053 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000571802020 549768266 /nfs/dbraw/zinc/76/82/66/549768266.db2.gz JTURPDHAUBTZJQ-AEGPPILISA-N 2 0 362.430 1.991 20 5 FDBDRP C[NH+]1CCC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000579110860 550836991 /nfs/dbraw/zinc/83/69/91/550836991.db2.gz LFRULGMGZBSHLY-UHFFFAOYSA-N 2 0 355.460 1.690 20 5 FDBDRP COC(=O)COc1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598994380 552955571 /nfs/dbraw/zinc/95/55/71/552955571.db2.gz LQRQQIOXJRTCFU-HNNXBMFYSA-N 2 0 365.430 1.968 20 5 FDBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000618562000 555651355 /nfs/dbraw/zinc/65/13/55/555651355.db2.gz OCMHCSKFXNKDKA-HZPDHXFCSA-N 2 0 364.494 1.891 20 5 FDBDRP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261992527 672707982 /nfs/dbraw/zinc/70/79/82/672707982.db2.gz SOCBETWJPXPKIM-ZDUSSCGKSA-N 2 0 351.403 1.707 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000311822658 790360350 /nfs/dbraw/zinc/36/03/50/790360350.db2.gz QPMCGPYZKYUCIZ-SJLPKXTDSA-N 2 0 359.430 1.264 20 5 FDBDRP COC[C@]1(CNCc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000414934983 791091803 /nfs/dbraw/zinc/09/18/03/791091803.db2.gz AQZISEQZQLXUAW-GOSISDBHSA-N 2 0 359.430 1.854 20 5 FDBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819058060 943398765 /nfs/dbraw/zinc/39/87/65/943398765.db2.gz DJVMQBYFDKHVEE-YJBOKZPZSA-N 2 0 350.463 1.491 20 5 FDBDRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819062287 943426408 /nfs/dbraw/zinc/42/64/08/943426408.db2.gz PGRPCJDNUXPHEP-GOSISDBHSA-N 2 0 350.463 1.636 20 5 FDBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000819218875 943492906 /nfs/dbraw/zinc/49/29/06/943492906.db2.gz MBECWMLZRBKSJJ-WOJBJXKFSA-N 2 0 371.437 1.985 20 5 FDBDRP [NH3+][C@H]1CCc2c3ccccc3n(-c3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])c2C1 ZINC001171095090 947398198 /nfs/dbraw/zinc/39/81/98/947398198.db2.gz KKIZTKKOQAJVDB-LBPRGKRZSA-N 2 0 364.409 1.832 20 5 FDBDRP [NH3+]CCN1CC[NH+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)CC1 ZINC001173012235 961885509 /nfs/dbraw/zinc/88/55/09/961885509.db2.gz QRNMDTZFXSTCKZ-UHFFFAOYSA-N 2 0 369.416 1.418 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866012705 974621472 /nfs/dbraw/zinc/62/14/72/974621472.db2.gz OFDFLCIAVYMPGL-CHWSQXEVSA-N 2 0 374.445 1.419 20 5 FDBDRP CCOc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000888832531 979407605 /nfs/dbraw/zinc/40/76/05/979407605.db2.gz HOAHMEMTTDEVTO-UHFFFAOYSA-N 2 0 367.450 1.951 20 5 FDBDRP Cc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000876171493 992392961 /nfs/dbraw/zinc/39/29/61/992392961.db2.gz MRYDRBGOGQDPKE-UHFFFAOYSA-N 2 0 351.451 1.538 20 5 FDBDRP CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112362259 524470344 /nfs/dbraw/zinc/47/03/44/524470344.db2.gz QZDCIDBMMKXQML-UHFFFAOYSA-N 2 0 372.491 1.271 20 5 FDBDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000162408820 525256494 /nfs/dbraw/zinc/25/64/94/525256494.db2.gz IAEWAKUMPXBWOZ-INIZCTEOSA-N 2 0 362.430 1.212 20 5 FDBDRP CC[NH+](CC)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248440588 537182065 /nfs/dbraw/zinc/18/20/65/537182065.db2.gz DCMZEPUSDKAEIZ-HZPDHXFCSA-N 2 0 351.447 1.998 20 5 FDBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420353172 538273807 /nfs/dbraw/zinc/27/38/07/538273807.db2.gz ZZWIDVBMNIKMQQ-MRXNPFEDSA-N 2 0 361.446 1.211 20 5 FDBDRP O=C1N[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397458 538285405 /nfs/dbraw/zinc/28/54/05/538285405.db2.gz FMMPYLLLQLWILG-ROUUACIJSA-N 2 0 373.457 1.357 20 5 FDBDRP O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592470964 551998781 /nfs/dbraw/zinc/99/87/81/551998781.db2.gz PNKVCSIFFFAYEV-MELADBBJSA-N 2 0 353.444 1.346 20 5 FDBDRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602586363 553608505 /nfs/dbraw/zinc/60/85/05/553608505.db2.gz ALLAHVXQUSVYLB-QGZVFWFLSA-N 2 0 365.478 1.905 20 5 FDBDRP COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000420419237 680443624 /nfs/dbraw/zinc/44/36/24/680443624.db2.gz XKEIEBTZBZOLAC-QWHCGFSZSA-N 2 0 350.419 1.849 20 5 FDBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC[NH+](CCO)CC2)n1 ZINC000447526633 682554085 /nfs/dbraw/zinc/55/40/85/682554085.db2.gz DJWRUKXRUCQXQP-HOTGVXAUSA-N 2 0 351.451 1.569 20 5 FDBDRP O=C([C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000430607333 776983738 /nfs/dbraw/zinc/98/37/38/776983738.db2.gz BYAYHHRELDRXFW-HNNXBMFYSA-N 2 0 362.430 1.117 20 5 FDBDRP C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511877320 801557191 /nfs/dbraw/zinc/55/71/91/801557191.db2.gz ZKKKFUNCOKGDSF-UHFFFAOYSA-N 2 0 372.473 1.541 20 5 FDBDRP O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CC[C@@H]4CC[NH2+]C4)CC3)nc2c1 ZINC000420363663 813628190 /nfs/dbraw/zinc/62/81/90/813628190.db2.gz BSEPEGOCQYVGDQ-AWEZNQCLSA-N 2 0 358.446 1.983 20 5 FDBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000505744167 816297769 /nfs/dbraw/zinc/29/77/69/816297769.db2.gz OSDPEDSRZFNWHY-OAHLLOKOSA-N 2 0 366.466 1.056 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCN2CC[NH+](C)CC2)c1F ZINC001173175787 961952120 /nfs/dbraw/zinc/95/21/20/961952120.db2.gz SOOSNJHMZBUAAI-ZDUSSCGKSA-N 2 0 354.426 1.511 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866011234 974619561 /nfs/dbraw/zinc/61/95/61/974619561.db2.gz XCLIFZKZZUGBOA-CHWSQXEVSA-N 2 0 351.407 1.679 20 5 FDBDRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC000870020465 985524771 /nfs/dbraw/zinc/52/47/71/985524771.db2.gz QEMRUFZQUUDMQG-ZIAGYGMSSA-N 2 0 363.462 1.297 20 5 FDBDRP COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000870022961 985530677 /nfs/dbraw/zinc/53/06/77/985530677.db2.gz GFOXUKKEBGEQKG-HUUCEWRRSA-N 2 0 364.446 1.415 20 5 FDBDRP C[NH+](C)CCOc1cc(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)ccn1 ZINC000877164233 993079820 /nfs/dbraw/zinc/07/98/20/993079820.db2.gz ZDPZDJABXYZANL-UHFFFAOYSA-N 2 0 360.418 1.620 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015457 172258710 /nfs/dbraw/zinc/25/87/10/172258710.db2.gz JAWMVKOXCBFNAP-MGPQQGTHSA-N 2 0 370.475 1.191 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246848262 537037986 /nfs/dbraw/zinc/03/79/86/537037986.db2.gz BFNUXFZCUIRKCM-BBRMVZONSA-N 2 0 370.475 1.193 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625690 538324479 /nfs/dbraw/zinc/32/44/79/538324479.db2.gz CJNRSQXRGZBKJS-UPJWGTAASA-N 2 0 350.419 1.847 20 5 FDBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472614591 538672027 /nfs/dbraw/zinc/67/20/27/538672027.db2.gz VYNPDWLGZRACOE-IAGOWNOFSA-N 2 0 364.494 1.892 20 5 FDBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000579100253 550835593 /nfs/dbraw/zinc/83/55/93/550835593.db2.gz VIMIUFGGRAXOJI-CYBMUJFWSA-N 2 0 352.460 1.487 20 5 FDBDRP COCC[N@H+](C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602512628 553596216 /nfs/dbraw/zinc/59/62/16/553596216.db2.gz WSEGBBDHRIYHMH-UHFFFAOYSA-N 2 0 351.451 1.517 20 5 FDBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847981 553649708 /nfs/dbraw/zinc/64/97/08/553649708.db2.gz WXJVZZHCOGHCIM-KRWDZBQOSA-N 2 0 372.425 1.942 20 5 FDBDRP C[NH2+]CC1CC[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000261783963 672671973 /nfs/dbraw/zinc/67/19/73/672671973.db2.gz FQKUNNNIHMWZAS-UHFFFAOYSA-N 2 0 351.403 1.578 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610799 777067047 /nfs/dbraw/zinc/06/70/47/777067047.db2.gz MGRCVKPHMZJZFB-CQSZACIVSA-N 2 0 362.430 1.247 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420342876 813612087 /nfs/dbraw/zinc/61/20/87/813612087.db2.gz QJILAMHINJTEPE-KBPBESRZSA-N 2 0 362.430 1.863 20 5 FDBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447533718 828778245 /nfs/dbraw/zinc/77/82/45/828778245.db2.gz YSKALSAGESVPSV-ZACQAIPSSA-N 2 0 364.494 1.891 20 5 FDBDRP C[C@@H](NC(=O)NCCN(C)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000925247656 830830061 /nfs/dbraw/zinc/83/00/61/830830061.db2.gz SGBGECKLTGPQKH-CQSZACIVSA-N 2 0 351.451 1.839 20 5 FDBDRP COc1ccc(-c2ccc(CN3CC[NH2+]CC[NH2+]CC3)o2)c([N+](=O)[O-])c1 ZINC000904396547 851180215 /nfs/dbraw/zinc/18/02/15/851180215.db2.gz KOYJKKICXSPNKJ-UHFFFAOYSA-N 2 0 360.414 1.858 20 5 FDBDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818981952 943370065 /nfs/dbraw/zinc/37/00/65/943370065.db2.gz ZRVJKMVPKTWDDW-GOSISDBHSA-N 2 0 371.441 1.565 20 5 FDBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CCN2CC[NH+](C)CC2)c1F ZINC001173196823 961961889 /nfs/dbraw/zinc/96/18/89/961961889.db2.gz PPMHYCAVRDWMBE-AWEZNQCLSA-N 2 0 368.453 1.853 20 5 FDBDRP CC1CC[NH+](CC2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369826340 989218417 /nfs/dbraw/zinc/21/84/17/989218417.db2.gz UGQBLVQEJQWEPZ-GOSISDBHSA-N 2 0 365.478 1.596 20 5 FDBDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(n4cc([N+](=O)[O-])cn4)C3)cn2)CC1 ZINC000876922362 992968602 /nfs/dbraw/zinc/96/86/02/992968602.db2.gz XBXDUZQZNOADAJ-UHFFFAOYSA-N 2 0 371.445 1.431 20 5 FDBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274421945 181090306 /nfs/dbraw/zinc/09/03/06/181090306.db2.gz DNQVQFLMWXKSNL-UHFFFAOYSA-N 2 0 351.451 1.523 20 5 FDBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884907 260105359 /nfs/dbraw/zinc/10/53/59/260105359.db2.gz IZXGGOPOKIHBNN-GOSISDBHSA-N 2 0 374.445 1.396 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114477749 524817265 /nfs/dbraw/zinc/81/72/65/524817265.db2.gz DDZJVVMZOIYUFS-CYBMUJFWSA-N 2 0 350.419 1.816 20 5 FDBDRP CN(C)c1nccc(N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000134132794 526128469 /nfs/dbraw/zinc/12/84/69/526128469.db2.gz XDBYAKCJKNUMFH-UHFFFAOYSA-N 2 0 372.429 1.652 20 5 FDBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246516697 536971214 /nfs/dbraw/zinc/97/12/14/536971214.db2.gz UIRLBKUPCMLGOE-UONOGXRCSA-N 2 0 370.475 1.193 20 5 FDBDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000472610801 538670033 /nfs/dbraw/zinc/67/00/33/538670033.db2.gz TVTLSKUVXPVWHQ-IRXDYDNUSA-N 2 0 364.494 1.891 20 5 FDBDRP CCn1ccnc1CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000567990494 548351012 /nfs/dbraw/zinc/35/10/12/548351012.db2.gz AKEYEEKAAGSGCO-MRXNPFEDSA-N 2 0 373.461 1.652 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000574324459 550296079 /nfs/dbraw/zinc/29/60/79/550296079.db2.gz ZRGLJHGIAYXSJL-QEJZJMRPSA-N 2 0 362.430 1.991 20 5 FDBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000602783541 553637803 /nfs/dbraw/zinc/63/78/03/553637803.db2.gz PHTIIOPAWJWDJH-UHFFFAOYSA-N 2 0 351.451 1.677 20 5 FDBDRP CC(C)[NH+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000370692688 677605929 /nfs/dbraw/zinc/60/59/29/677605929.db2.gz ZITSSOGZRNOIFN-UHFFFAOYSA-N 2 0 350.467 1.282 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063391 682225199 /nfs/dbraw/zinc/22/51/99/682225199.db2.gz WLPZATZKNDHDQP-CYBMUJFWSA-N 2 0 350.419 1.993 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063394 682225350 /nfs/dbraw/zinc/22/53/50/682225350.db2.gz WLPZATZKNDHDQP-ZDUSSCGKSA-N 2 0 350.419 1.993 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064408 682225735 /nfs/dbraw/zinc/22/57/35/682225735.db2.gz YCIHTBTZNDUESH-CYBMUJFWSA-N 2 0 350.419 1.993 20 5 FDBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000531723366 694847529 /nfs/dbraw/zinc/84/75/29/694847529.db2.gz NFHLEJUNPPPKTB-CYBMUJFWSA-N 2 0 350.419 1.358 20 5 FDBDRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000819195827 943470711 /nfs/dbraw/zinc/47/07/11/943470711.db2.gz KSWJOPGAVVZFFS-KRWDZBQOSA-N 2 0 360.414 1.753 20 5 FDBDRP Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1[N+](=O)[O-] ZINC000863641904 973077549 /nfs/dbraw/zinc/07/75/49/973077549.db2.gz FXXFZJPMBGAJAX-SJORKVTESA-N 2 0 360.414 1.660 20 5 FDBDRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH+](C)C ZINC000870020305 985525260 /nfs/dbraw/zinc/52/52/60/985525260.db2.gz LGRRUJXLOHIBCJ-IAGOWNOFSA-N 2 0 362.474 1.725 20 5 FDBDRP CC1CC[NH+](CC2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000369826341 989218010 /nfs/dbraw/zinc/21/80/10/989218010.db2.gz UGQBLVQEJQWEPZ-SFHVURJKSA-N 2 0 365.478 1.596 20 5 FDBDRP Cc1ccncc1N1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000534064349 540319876 /nfs/dbraw/zinc/31/98/76/540319876.db2.gz CPDHHZFAARQZBQ-INIZCTEOSA-N 2 0 372.425 1.860 20 5 FDBDRP CC[NH+](CC)CCOC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000535585142 540486778 /nfs/dbraw/zinc/48/67/78/540486778.db2.gz HTALVCWCHLSYLD-UHFFFAOYSA-N 2 0 366.462 1.579 20 5 FDBDRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000090015319 172258588 /nfs/dbraw/zinc/25/85/88/172258588.db2.gz UIRLBKUPCMLGOE-KGLIPLIRSA-N 2 0 370.475 1.193 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015454 172258736 /nfs/dbraw/zinc/25/87/36/172258736.db2.gz JAWMVKOXCBFNAP-RDBSUJKOSA-N 2 0 370.475 1.191 20 5 FDBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000090015459 172259620 /nfs/dbraw/zinc/25/96/20/172259620.db2.gz JAWMVKOXCBFNAP-HZSPNIEDSA-N 2 0 370.475 1.191 20 5 FDBDRP Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102765 525390671 /nfs/dbraw/zinc/39/06/71/525390671.db2.gz XOGUMWZYCKWFHD-UHFFFAOYSA-N 2 0 358.464 1.017 20 5 FDBDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000190002071 537126021 /nfs/dbraw/zinc/12/60/21/537126021.db2.gz VMMMGYNERUFZEJ-NVXWUHKLSA-N 2 0 366.462 1.483 20 5 FDBDRP C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCN1Cc1ccccc1 ZINC000397944534 537792276 /nfs/dbraw/zinc/79/22/76/537792276.db2.gz LJLBILDMVFUGMX-RTBURBONSA-N 2 0 373.457 1.797 20 5 FDBDRP COc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000414968177 537946464 /nfs/dbraw/zinc/94/64/64/537946464.db2.gz FQIITMNBYFNGIK-CQSZACIVSA-N 2 0 362.352 1.529 20 5 FDBDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000580183162 550951961 /nfs/dbraw/zinc/95/19/61/550951961.db2.gz VWZGOQJTCCBGSE-GOSISDBHSA-N 2 0 350.463 1.115 20 5 FDBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000580422387 550980583 /nfs/dbraw/zinc/98/05/83/550980583.db2.gz CDKLIARFTKMCJG-GOSISDBHSA-N 2 0 359.430 1.538 20 5 FDBDRP COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000596627402 552695179 /nfs/dbraw/zinc/69/51/79/552695179.db2.gz YUJMYAZQHLUBCN-UHFFFAOYSA-N 2 0 353.423 1.608 20 5 FDBDRP O=[N+]([O-])c1c(N[C@H]2CC[NH+](C3CC3)C2)ncnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000603279146 553752098 /nfs/dbraw/zinc/75/20/98/553752098.db2.gz NOAISZUSWNTTRA-STQMWFEESA-N 2 0 373.461 1.682 20 5 FDBDRP COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420410127 680441575 /nfs/dbraw/zinc/44/15/75/680441575.db2.gz RBAJVOBBUJHTJN-OLZOCXBDSA-N 2 0 350.419 1.849 20 5 FDBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430649096 681089385 /nfs/dbraw/zinc/08/93/85/681089385.db2.gz HYOPIUUEXAUMIF-CYBMUJFWSA-N 2 0 350.419 1.863 20 5 FDBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430947520 681101296 /nfs/dbraw/zinc/10/12/96/681101296.db2.gz BJZDKKYWPUMOFA-UHFFFAOYSA-N 2 0 350.419 1.863 20 5 FDBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000451984507 682989580 /nfs/dbraw/zinc/98/95/80/682989580.db2.gz LEXXXGUDAMLHRY-UHFFFAOYSA-N 2 0 350.463 1.979 20 5 FDBDRP