smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCCC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980077 396703079 /nfs/dbraw/zinc/70/30/79/396703079.db2.gz NMEALQPVRYJXSR-AWEZNQCLSA-N 2 1 323.397 0.712 20 5 DCBDMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980077 396703081 /nfs/dbraw/zinc/70/30/81/396703081.db2.gz NMEALQPVRYJXSR-AWEZNQCLSA-N 2 1 323.397 0.712 20 5 DCBDMP CC[N@@H+](C)C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420135 397057734 /nfs/dbraw/zinc/05/77/34/397057734.db2.gz MEKGSIVPOQOVSV-JSGCOSHPSA-N 2 1 323.397 0.789 20 5 DCBDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679702 415183809 /nfs/dbraw/zinc/18/38/09/415183809.db2.gz VXAHFHONRWYMJX-GUTXKFCHSA-N 2 1 323.397 0.931 20 5 DCBDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679702 415183819 /nfs/dbraw/zinc/18/38/19/415183819.db2.gz VXAHFHONRWYMJX-GUTXKFCHSA-N 2 1 323.397 0.931 20 5 DCBDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526696 271791359 /nfs/dbraw/zinc/79/13/59/271791359.db2.gz DUYCFPIPOMWGMH-FRRDWIJNSA-N 2 1 311.386 0.787 20 5 DCBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465538 667537527 /nfs/dbraw/zinc/53/75/27/667537527.db2.gz HALHFSJEJUGMLY-UHFFFAOYSA-N 2 1 321.381 0.337 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1)CC2 ZINC001246493916 945418872 /nfs/dbraw/zinc/41/88/72/945418872.db2.gz GTLSNDDKBYGNQH-GJZGRUSLSA-N 2 1 304.394 0.993 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)C2 ZINC001246626600 945446266 /nfs/dbraw/zinc/44/62/66/945446266.db2.gz SMPVAOUYPIQJOU-JKSUJKDBSA-N 2 1 302.378 0.699 20 5 DCBDMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627656 956913004 /nfs/dbraw/zinc/91/30/04/956913004.db2.gz ASYIWTBJCYVIKK-OCCSQVGLSA-N 2 1 311.386 0.474 20 5 DCBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000247976817 395981154 /nfs/dbraw/zinc/98/11/54/395981154.db2.gz LDYQZUZGICDJAU-YUELXQCFSA-N 2 1 323.397 0.568 20 5 DCBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000247976817 395981157 /nfs/dbraw/zinc/98/11/57/395981157.db2.gz LDYQZUZGICDJAU-YUELXQCFSA-N 2 1 323.397 0.568 20 5 DCBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000247976817 395981162 /nfs/dbraw/zinc/98/11/62/395981162.db2.gz LDYQZUZGICDJAU-YUELXQCFSA-N 2 1 323.397 0.568 20 5 DCBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066779 396523337 /nfs/dbraw/zinc/52/33/37/396523337.db2.gz XHJDQPWIGLBMHF-FZMZJTMJSA-N 2 1 322.369 0.583 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000304287189 396728559 /nfs/dbraw/zinc/72/85/59/396728559.db2.gz BBGXLUFHBKKQLX-ZFWWWQNUSA-N 2 1 323.397 0.570 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000304287189 396728562 /nfs/dbraw/zinc/72/85/62/396728562.db2.gz BBGXLUFHBKKQLX-ZFWWWQNUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC[NH3+] ZINC000600734034 396934286 /nfs/dbraw/zinc/93/42/86/396934286.db2.gz NHEUKDHWWNXJGM-LLVKDONJSA-N 2 1 310.354 0.829 20 5 DCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC[NH3+] ZINC000600734034 396934288 /nfs/dbraw/zinc/93/42/88/396934288.db2.gz NHEUKDHWWNXJGM-LLVKDONJSA-N 2 1 310.354 0.829 20 5 DCBDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679707 415183124 /nfs/dbraw/zinc/18/31/24/415183124.db2.gz VXAHFHONRWYMJX-NFAWXSAZSA-N 2 1 323.397 0.931 20 5 DCBDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679707 415183132 /nfs/dbraw/zinc/18/31/32/415183132.db2.gz VXAHFHONRWYMJX-NFAWXSAZSA-N 2 1 323.397 0.931 20 5 DCBDMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1[N+](=O)[O-] ZINC000420371162 262372028 /nfs/dbraw/zinc/37/20/28/262372028.db2.gz KHVLCKAFRRVKEP-UHFFFAOYSA-N 2 1 320.393 0.891 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000923425774 667531214 /nfs/dbraw/zinc/53/12/14/667531214.db2.gz MTWVIPCDSHBDAM-DUVNUKRYSA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000923425774 667531216 /nfs/dbraw/zinc/53/12/16/667531216.db2.gz MTWVIPCDSHBDAM-DUVNUKRYSA-N 2 1 321.377 0.876 20 5 DCBDMP C[NH+]1CCN(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000879592770 669070595 /nfs/dbraw/zinc/07/05/95/669070595.db2.gz PGQCJFMEAALSHI-UHFFFAOYSA-N 2 1 322.413 0.503 20 5 DCBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262484717 396145895 /nfs/dbraw/zinc/14/58/95/396145895.db2.gz KHYBAQOKLYAEJG-CYZMBNFOSA-N 2 1 304.350 0.863 20 5 DCBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262484717 396145898 /nfs/dbraw/zinc/14/58/98/396145898.db2.gz KHYBAQOKLYAEJG-CYZMBNFOSA-N 2 1 304.350 0.863 20 5 DCBDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619798 /nfs/dbraw/zinc/61/97/98/396619798.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619801 /nfs/dbraw/zinc/61/98/01/396619801.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619803 /nfs/dbraw/zinc/61/98/03/396619803.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619806 /nfs/dbraw/zinc/61/98/06/396619806.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422343 396663361 /nfs/dbraw/zinc/66/33/61/396663361.db2.gz RIVLXNHMWFWYAS-MCIONIFRSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422343 396663364 /nfs/dbraw/zinc/66/33/64/396663364.db2.gz RIVLXNHMWFWYAS-MCIONIFRSA-N 2 1 323.397 0.975 20 5 DCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000174858486 416087741 /nfs/dbraw/zinc/08/77/41/416087741.db2.gz UKLBZMCVFKKZDB-AWEZNQCLSA-N 2 1 323.397 0.836 20 5 DCBDMP CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923336201 667510430 /nfs/dbraw/zinc/51/04/30/667510430.db2.gz RPHRNVOSKSGRQA-OCCSQVGLSA-N 2 1 311.386 0.616 20 5 DCBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465569 667537655 /nfs/dbraw/zinc/53/76/55/667537655.db2.gz IHIMPCXTXJSAIG-UHFFFAOYSA-N 2 1 321.381 0.337 20 5 DCBDMP Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)CC[NH+](C)C)CC1 ZINC001723554362 1184326802 /nfs/dbraw/zinc/32/68/02/1184326802.db2.gz QRZFCNSIORBKMH-UHFFFAOYSA-N 2 1 324.385 0.018 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485168 952543650 /nfs/dbraw/zinc/54/36/50/952543650.db2.gz KVYIAANPIXSRJU-HZSPNIEDSA-N 2 1 323.397 0.615 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419446 396663319 /nfs/dbraw/zinc/66/33/19/396663319.db2.gz HKWXDSMMDZARBV-YUELXQCFSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419446 396663322 /nfs/dbraw/zinc/66/33/22/396663322.db2.gz HKWXDSMMDZARBV-YUELXQCFSA-N 2 1 323.397 0.975 20 5 DCBDMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595902271 396679721 /nfs/dbraw/zinc/67/97/21/396679721.db2.gz QJYDSHKXBYKRJP-UHFFFAOYSA-N 2 1 322.365 0.628 20 5 DCBDMP CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157102087 771535654 /nfs/dbraw/zinc/53/56/54/771535654.db2.gz SPILIKJFXJDFMG-UHFFFAOYSA-N 2 1 324.345 0.327 20 5 DCBDMP CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1C ZINC001165201854 772703804 /nfs/dbraw/zinc/70/38/04/772703804.db2.gz QUVLDHRSFXSOFA-LLVKDONJSA-N 2 1 320.397 0.991 20 5 DCBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627652 956912664 /nfs/dbraw/zinc/91/26/64/956912664.db2.gz ASYIWTBJCYVIKK-GXTWGEPZSA-N 2 1 311.386 0.474 20 5 DCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261818059 396069047 /nfs/dbraw/zinc/06/90/47/396069047.db2.gz WJBPGROUCABOFS-AWEZNQCLSA-N 2 1 320.393 0.924 20 5 DCBDMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600733762 396933341 /nfs/dbraw/zinc/93/33/41/396933341.db2.gz CRHBJADOOFVWRO-UHFFFAOYSA-N 2 1 310.354 0.831 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923331463 667507375 /nfs/dbraw/zinc/50/73/75/667507375.db2.gz MGCQPTRMYTVTAW-CYBMUJFWSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516040 667551912 /nfs/dbraw/zinc/55/19/12/667551912.db2.gz SGRLYQTUYAAONK-GZBFAFLISA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H](C)C[N@H+]1C ZINC001164636511 719258455 /nfs/dbraw/zinc/25/84/55/719258455.db2.gz TYIOLQJKBUAANP-ZJUUUORDSA-N 2 1 306.370 0.600 20 5 DCBDMP O=[N+]([O-])c1c(NCC[NH+]2CCSCC2)ncnc1C1C[NH2+]C1 ZINC001167837541 748413143 /nfs/dbraw/zinc/41/31/43/748413143.db2.gz NHCPPBKEEUSWGE-UHFFFAOYSA-N 2 1 324.410 0.532 20 5 DCBDMP C[NH+](C)CCOc1cc(-n2cnc(C[NH3+])n2)ccc1[N+](=O)[O-] ZINC001168757113 754456514 /nfs/dbraw/zinc/45/65/14/754456514.db2.gz QBRUDLSIQZPZSQ-UHFFFAOYSA-N 2 1 306.326 0.575 20 5 DCBDMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574018 946409649 /nfs/dbraw/zinc/40/96/49/946409649.db2.gz FIYNCUKMLBQVIY-OCCSQVGLSA-N 2 1 302.334 0.993 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000316757126 396797799 /nfs/dbraw/zinc/79/77/99/396797799.db2.gz JUMMEQRJXASWCQ-OUCADQQQSA-N 2 1 309.370 0.369 20 5 DCBDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573795043 397205607 /nfs/dbraw/zinc/20/56/07/397205607.db2.gz JWOWGXUMWMWLJC-AWEZNQCLSA-N 2 1 322.369 0.727 20 5 DCBDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269821 415936288 /nfs/dbraw/zinc/93/62/88/415936288.db2.gz MGTJOOUBMOQNAT-CQSZACIVSA-N 2 1 311.386 0.570 20 5 DCBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361215242 416426212 /nfs/dbraw/zinc/42/62/12/416426212.db2.gz IEKWMJBNDPAGDB-BXUZGUMPSA-N 2 1 324.381 0.824 20 5 DCBDMP [NH3+][C@H]1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489690 416987173 /nfs/dbraw/zinc/98/71/73/416987173.db2.gz BTLZWKFIQPWBOP-KGLIPLIRSA-N 2 1 304.350 0.381 20 5 DCBDMP [NH3+][C@H]1C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489690 416987179 /nfs/dbraw/zinc/98/71/79/416987179.db2.gz BTLZWKFIQPWBOP-KGLIPLIRSA-N 2 1 304.350 0.381 20 5 DCBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349112 262369990 /nfs/dbraw/zinc/36/99/90/262369990.db2.gz NUJHAQPEARCJDE-HNNXBMFYSA-N 2 1 320.393 0.953 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923357516 667513006 /nfs/dbraw/zinc/51/30/06/667513006.db2.gz XQJQYAYTAQQJSI-KBPBESRZSA-N 2 1 309.370 0.228 20 5 DCBDMP C[C@@]([NH3+])(C(=O)NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576081190 1164234582 /nfs/dbraw/zinc/23/45/82/1164234582.db2.gz KLUDDURPKPBFFQ-HNNXBMFYSA-N 2 1 306.366 0.981 20 5 DCBDMP C[N@@H+]1CCc2c(N[C@@H]3C[NH2+]C[C@@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784482 765763185 /nfs/dbraw/zinc/76/31/85/765763185.db2.gz UMJQJGPOXMYAGV-QMTHXVAHSA-N 2 1 306.366 0.575 20 5 DCBDMP C[N@H+]1CCc2c(N[C@@H]3C[NH2+]C[C@@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784482 765763190 /nfs/dbraw/zinc/76/31/90/765763190.db2.gz UMJQJGPOXMYAGV-QMTHXVAHSA-N 2 1 306.366 0.575 20 5 DCBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273050 955999599 /nfs/dbraw/zinc/99/95/99/955999599.db2.gz MPLIOIQKZYNXFO-JSGCOSHPSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000316757132 396797513 /nfs/dbraw/zinc/79/75/13/396797513.db2.gz JUMMEQRJXASWCQ-YRGRVCCFSA-N 2 1 309.370 0.369 20 5 DCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC[NH3+] ZINC000600734035 396933119 /nfs/dbraw/zinc/93/31/19/396933119.db2.gz NHEUKDHWWNXJGM-NSHDSACASA-N 2 1 310.354 0.829 20 5 DCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCOCC[NH3+] ZINC000600734035 396933121 /nfs/dbraw/zinc/93/31/21/396933121.db2.gz NHEUKDHWWNXJGM-NSHDSACASA-N 2 1 310.354 0.829 20 5 DCBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000592471967 397185988 /nfs/dbraw/zinc/18/59/88/397185988.db2.gz AHMYBFVZXLCEFG-UHFFFAOYSA-N 2 1 308.382 0.811 20 5 DCBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026299 416139802 /nfs/dbraw/zinc/13/98/02/416139802.db2.gz BMUJUQBWSGXSDH-CQSZACIVSA-N 2 1 322.413 0.503 20 5 DCBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349375 262369847 /nfs/dbraw/zinc/36/98/47/262369847.db2.gz OPXFXXONMNBRAX-CQSZACIVSA-N 2 1 320.393 0.953 20 5 DCBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923409307 667528935 /nfs/dbraw/zinc/52/89/35/667528935.db2.gz NSCIHOCCKDJSAW-MELADBBJSA-N 2 1 309.370 0.084 20 5 DCBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923409307 667528939 /nfs/dbraw/zinc/52/89/39/667528939.db2.gz NSCIHOCCKDJSAW-MELADBBJSA-N 2 1 309.370 0.084 20 5 DCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839620457 668126146 /nfs/dbraw/zinc/12/61/46/668126146.db2.gz ORGGQBMXHHITKY-MGPQQGTHSA-N 2 1 312.414 0.526 20 5 DCBDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620457 668126148 /nfs/dbraw/zinc/12/61/48/668126148.db2.gz ORGGQBMXHHITKY-MGPQQGTHSA-N 2 1 312.414 0.526 20 5 DCBDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620457 668126150 /nfs/dbraw/zinc/12/61/50/668126150.db2.gz ORGGQBMXHHITKY-MGPQQGTHSA-N 2 1 312.414 0.526 20 5 DCBDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573506 669065632 /nfs/dbraw/zinc/06/56/32/669065632.db2.gz OYCHQGMXAHRLJN-KWCYVHTRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573506 669065638 /nfs/dbraw/zinc/06/56/38/669065638.db2.gz OYCHQGMXAHRLJN-KWCYVHTRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573506 669065643 /nfs/dbraw/zinc/06/56/43/669065643.db2.gz OYCHQGMXAHRLJN-KWCYVHTRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573506 669065650 /nfs/dbraw/zinc/06/56/50/669065650.db2.gz OYCHQGMXAHRLJN-KWCYVHTRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636496 719258429 /nfs/dbraw/zinc/25/84/29/719258429.db2.gz TYIOLQJKBUAANP-NXEZZACHSA-N 2 1 306.370 0.600 20 5 DCBDMP C[N@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162338626 772363265 /nfs/dbraw/zinc/36/32/65/772363265.db2.gz CRJZXJJMLJIEOG-AWEZNQCLSA-N 2 1 306.370 0.968 20 5 DCBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504909 415198320 /nfs/dbraw/zinc/19/83/20/415198320.db2.gz WAGHTSLBAFQSIQ-HNNXBMFYSA-N 2 1 320.393 0.953 20 5 DCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000174858498 416088325 /nfs/dbraw/zinc/08/83/25/416088325.db2.gz UKLBZMCVFKKZDB-CQSZACIVSA-N 2 1 323.397 0.836 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncc1[N+](=O)[O-] ZINC001155509564 770528977 /nfs/dbraw/zinc/52/89/77/770528977.db2.gz AVYCNSWCOBEWIU-ZUEAMBOYSA-N 2 1 319.365 0.921 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)C2 ZINC001246626595 945446718 /nfs/dbraw/zinc/44/67/18/945446718.db2.gz SMPVAOUYPIQJOU-HOTGVXAUSA-N 2 1 302.378 0.699 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000304287187 396728431 /nfs/dbraw/zinc/72/84/31/396728431.db2.gz BBGXLUFHBKKQLX-UKRRQHHQSA-N 2 1 323.397 0.570 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000304287187 396728435 /nfs/dbraw/zinc/72/84/35/396728435.db2.gz BBGXLUFHBKKQLX-UKRRQHHQSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432858 159208377 /nfs/dbraw/zinc/20/83/77/159208377.db2.gz DBAJHMTZHUZJLP-JSGCOSHPSA-N 2 1 311.386 0.568 20 5 DCBDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432858 159208378 /nfs/dbraw/zinc/20/83/78/159208378.db2.gz DBAJHMTZHUZJLP-JSGCOSHPSA-N 2 1 311.386 0.568 20 5 DCBDMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420389500 287295552 /nfs/dbraw/zinc/29/55/52/287295552.db2.gz MEFQYVRAOACRLL-CQSZACIVSA-N 2 1 322.365 0.973 20 5 DCBDMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420389500 287295553 /nfs/dbraw/zinc/29/55/53/287295553.db2.gz MEFQYVRAOACRLL-CQSZACIVSA-N 2 1 322.365 0.973 20 5 DCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[NH+](C)C1 ZINC000304321524 261173687 /nfs/dbraw/zinc/17/36/87/261173687.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000304321524 261173689 /nfs/dbraw/zinc/17/36/89/261173689.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000304321524 261173691 /nfs/dbraw/zinc/17/36/91/261173691.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923361876 667519560 /nfs/dbraw/zinc/51/95/60/667519560.db2.gz IGUVWMDZGRSAFJ-UMVBOHGHSA-N 2 1 323.397 0.474 20 5 DCBDMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636504 719258120 /nfs/dbraw/zinc/25/81/20/719258120.db2.gz TYIOLQJKBUAANP-UWVGGRQHSA-N 2 1 306.370 0.600 20 5 DCBDMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040100 760556039 /nfs/dbraw/zinc/55/60/39/760556039.db2.gz XWQZSGMVNYZUMJ-UONOGXRCSA-N 2 1 312.414 0.528 20 5 DCBDMP Cc1[nH+]ccn1CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163920347 772591122 /nfs/dbraw/zinc/59/11/22/772591122.db2.gz WTACDZZOSJGNCZ-UHFFFAOYSA-N 2 1 303.326 0.689 20 5 DCBDMP C[N@H+](CCOCC[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600734553 396933706 /nfs/dbraw/zinc/93/37/06/396933706.db2.gz GUFADUDDCOFTQB-CQSZACIVSA-N 2 1 322.365 0.607 20 5 DCBDMP C[N@@H+](CCOCC[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600734553 396933713 /nfs/dbraw/zinc/93/37/13/396933713.db2.gz GUFADUDDCOFTQB-CQSZACIVSA-N 2 1 322.365 0.607 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612030335 396984051 /nfs/dbraw/zinc/98/40/51/396984051.db2.gz CWRAXSFRDAWKBT-XQQFMLRXSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612030335 396984055 /nfs/dbraw/zinc/98/40/55/396984055.db2.gz CWRAXSFRDAWKBT-XQQFMLRXSA-N 2 1 307.350 0.486 20 5 DCBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212712 416098500 /nfs/dbraw/zinc/09/85/00/416098500.db2.gz DWTLZPBYTNAJNB-AWEZNQCLSA-N 2 1 322.413 0.503 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291469 667493844 /nfs/dbraw/zinc/49/38/44/667493844.db2.gz STJNHPNSQALURI-TZMCWYRMSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291469 667493846 /nfs/dbraw/zinc/49/38/46/667493846.db2.gz STJNHPNSQALURI-TZMCWYRMSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329138 667505958 /nfs/dbraw/zinc/50/59/58/667505958.db2.gz PBJWVSFDJNVOTD-CFVMTHIKSA-N 2 1 323.397 0.616 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923415169 667530683 /nfs/dbraw/zinc/53/06/83/667530683.db2.gz QLYYKJGUPVXDJZ-BNOWGMLFSA-N 2 1 309.370 0.226 20 5 DCBDMP CN(C(=O)CN1CC[NH2+]CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000923462792 667539045 /nfs/dbraw/zinc/53/90/45/667539045.db2.gz AKVVDYTYSYHBIN-UHFFFAOYSA-N 2 1 321.381 0.052 20 5 DCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579877237 1165419705 /nfs/dbraw/zinc/41/97/05/1165419705.db2.gz FBMOIJPWYVWFOY-LBPRGKRZSA-N 2 1 323.397 0.943 20 5 DCBDMP Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567894583 291388906 /nfs/dbraw/zinc/38/89/06/291388906.db2.gz GEVZHJGPZWFRLC-YPMHNXCESA-N 2 1 309.370 0.657 20 5 DCBDMP O=C(CC[NH2+]C1(CO)CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901829 396679329 /nfs/dbraw/zinc/67/93/29/396679329.db2.gz KVJASVCWJBWIRM-UHFFFAOYSA-N 2 1 322.365 0.628 20 5 DCBDMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326739 396729869 /nfs/dbraw/zinc/72/98/69/396729869.db2.gz SVRHNZZURZSZDB-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326739 396729871 /nfs/dbraw/zinc/72/98/71/396729871.db2.gz SVRHNZZURZSZDB-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326739 396729873 /nfs/dbraw/zinc/72/98/73/396729873.db2.gz SVRHNZZURZSZDB-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326739 396729875 /nfs/dbraw/zinc/72/98/75/396729875.db2.gz SVRHNZZURZSZDB-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCC[NH3+] ZINC000600733606 396934102 /nfs/dbraw/zinc/93/41/02/396934102.db2.gz KYINNCKKEFQDHT-NSHDSACASA-N 2 1 310.354 0.829 20 5 DCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCC[NH3+] ZINC000600733606 396934107 /nfs/dbraw/zinc/93/41/07/396934107.db2.gz KYINNCKKEFQDHT-NSHDSACASA-N 2 1 310.354 0.829 20 5 DCBDMP C[N@H+](CCOCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600774411 396941217 /nfs/dbraw/zinc/94/12/17/396941217.db2.gz KJJQMOKECBYHSU-UHFFFAOYSA-N 2 1 311.338 0.773 20 5 DCBDMP C[N@@H+](CCOCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600774411 396941220 /nfs/dbraw/zinc/94/12/20/396941220.db2.gz KJJQMOKECBYHSU-UHFFFAOYSA-N 2 1 311.338 0.773 20 5 DCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000304321536 261173557 /nfs/dbraw/zinc/17/35/57/261173557.db2.gz QMYFTYLABOJWKZ-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000304321536 261173559 /nfs/dbraw/zinc/17/35/59/261173559.db2.gz QMYFTYLABOJWKZ-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000304321536 261173561 /nfs/dbraw/zinc/17/35/61/261173561.db2.gz QMYFTYLABOJWKZ-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329146 667505965 /nfs/dbraw/zinc/50/59/65/667505965.db2.gz PBJWVSFDJNVOTD-YUELXQCFSA-N 2 1 323.397 0.616 20 5 DCBDMP CCOC(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167877629 748458259 /nfs/dbraw/zinc/45/82/59/748458259.db2.gz HQMMGGSVPAPMTL-UHFFFAOYSA-N 2 1 324.341 0.842 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056302 760565542 /nfs/dbraw/zinc/56/55/42/760565542.db2.gz RJUOVUGGKUIIHH-MJBXVCDLSA-N 2 1 312.414 0.574 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056302 760565547 /nfs/dbraw/zinc/56/55/47/760565547.db2.gz RJUOVUGGKUIIHH-MJBXVCDLSA-N 2 1 312.414 0.574 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N2CCO[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001166939404 772884994 /nfs/dbraw/zinc/88/49/94/772884994.db2.gz AJMXZFGFVZTOGF-PCAWENJQSA-N 2 1 307.354 0.686 20 5 DCBDMP COc1ccc(C[C@@H](C)[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582354 945436823 /nfs/dbraw/zinc/43/68/23/945436823.db2.gz XALICRNAWAAAKH-IFUGULHKSA-N 2 1 309.366 0.786 20 5 DCBDMP COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582354 945436829 /nfs/dbraw/zinc/43/68/29/945436829.db2.gz XALICRNAWAAAKH-IFUGULHKSA-N 2 1 309.366 0.786 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001339911976 953130319 /nfs/dbraw/zinc/13/03/19/953130319.db2.gz AWPZUWDKPUXUCC-AWEZNQCLSA-N 2 1 323.397 0.618 20 5 DCBDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432861 159208491 /nfs/dbraw/zinc/20/84/91/159208491.db2.gz DBAJHMTZHUZJLP-TZMCWYRMSA-N 2 1 311.386 0.568 20 5 DCBDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432861 159208492 /nfs/dbraw/zinc/20/84/92/159208492.db2.gz DBAJHMTZHUZJLP-TZMCWYRMSA-N 2 1 311.386 0.568 20 5 DCBDMP CN(CC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000089269222 415522893 /nfs/dbraw/zinc/52/28/93/415522893.db2.gz MJXUDEBETXSUAU-UHFFFAOYSA-N 2 1 324.429 0.749 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000923427155 667531128 /nfs/dbraw/zinc/53/11/28/667531128.db2.gz SMPBJLNBSIRWNX-HEHGZKQESA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000923427155 667531131 /nfs/dbraw/zinc/53/11/31/667531131.db2.gz SMPBJLNBSIRWNX-HEHGZKQESA-N 2 1 321.377 0.876 20 5 DCBDMP C[N@H+]1C[C@@]2(C)CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309639 669176659 /nfs/dbraw/zinc/17/66/59/669176659.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 1 323.397 0.426 20 5 DCBDMP CN1C[C@]2(C)C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309639 669176663 /nfs/dbraw/zinc/17/66/63/669176663.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 1 323.397 0.426 20 5 DCBDMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309639 669176672 /nfs/dbraw/zinc/17/66/72/669176672.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 1 323.397 0.426 20 5 DCBDMP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309639 669176675 /nfs/dbraw/zinc/17/66/75/669176675.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 1 323.397 0.426 20 5 DCBDMP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309639 669176680 /nfs/dbraw/zinc/17/66/80/669176680.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 1 323.397 0.426 20 5 DCBDMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309639 669176684 /nfs/dbraw/zinc/17/66/84/669176684.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 1 323.397 0.426 20 5 DCBDMP C[NH+](C)CCN1CC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040101 760555734 /nfs/dbraw/zinc/55/57/34/760555734.db2.gz XWQZSGMVNYZUMJ-ZIAGYGMSSA-N 2 1 312.414 0.528 20 5 DCBDMP O=[N+]([O-])c1cnc(NCC[NH+]2CCSCC2)nc1C1C[NH2+]C1 ZINC001157050313 771524666 /nfs/dbraw/zinc/52/46/66/771524666.db2.gz RDPBMEKIKMTPCB-UHFFFAOYSA-N 2 1 324.410 0.532 20 5 DCBDMP COC(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157096319 771533224 /nfs/dbraw/zinc/53/32/24/771533224.db2.gz GSXVJSQMKAOEOI-UHFFFAOYSA-N 2 1 310.314 0.452 20 5 DCBDMP COc1nc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160510039 772052955 /nfs/dbraw/zinc/05/29/55/772052955.db2.gz DXYBNNASIDJXFK-AWEZNQCLSA-N 2 1 307.354 0.833 20 5 DCBDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440986 253084840 /nfs/dbraw/zinc/08/48/40/253084840.db2.gz RXODBNFEBHVJSN-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440986 253084842 /nfs/dbraw/zinc/08/48/42/253084842.db2.gz RXODBNFEBHVJSN-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440986 253084845 /nfs/dbraw/zinc/08/48/45/253084845.db2.gz RXODBNFEBHVJSN-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976812 395981472 /nfs/dbraw/zinc/98/14/72/395981472.db2.gz LDYQZUZGICDJAU-BPLDGKMQSA-N 2 1 323.397 0.568 20 5 DCBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976812 395981476 /nfs/dbraw/zinc/98/14/76/395981476.db2.gz LDYQZUZGICDJAU-BPLDGKMQSA-N 2 1 323.397 0.568 20 5 DCBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976812 395981479 /nfs/dbraw/zinc/98/14/79/395981479.db2.gz LDYQZUZGICDJAU-BPLDGKMQSA-N 2 1 323.397 0.568 20 5 DCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCC[NH3+] ZINC000600733188 396932237 /nfs/dbraw/zinc/93/22/37/396932237.db2.gz HSQRKJHTQJUIBG-NSHDSACASA-N 2 1 310.354 0.829 20 5 DCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC[NH3+] ZINC000600733188 396932239 /nfs/dbraw/zinc/93/22/39/396932239.db2.gz HSQRKJHTQJUIBG-NSHDSACASA-N 2 1 310.354 0.829 20 5 DCBDMP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000579236832 397539965 /nfs/dbraw/zinc/53/99/65/397539965.db2.gz KZOMQLNFMWRWJT-CYBMUJFWSA-N 2 1 320.397 0.381 20 5 DCBDMP O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000579236833 397539983 /nfs/dbraw/zinc/53/99/83/397539983.db2.gz KZOMQLNFMWRWJT-ZDUSSCGKSA-N 2 1 320.397 0.381 20 5 DCBDMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502707 416517843 /nfs/dbraw/zinc/51/78/43/416517843.db2.gz FGVQDTPVOCYKER-RDBSUJKOSA-N 2 1 322.413 0.768 20 5 DCBDMP [NH3+]C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230058 1165542460 /nfs/dbraw/zinc/54/24/60/1165542460.db2.gz XWKVGZXWVWQAKX-KBPBESRZSA-N 2 1 311.386 0.649 20 5 DCBDMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627658 956913233 /nfs/dbraw/zinc/91/32/33/956913233.db2.gz ASYIWTBJCYVIKK-TZMCWYRMSA-N 2 1 311.386 0.474 20 5 DCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCC[NH3+] ZINC000600733187 396932181 /nfs/dbraw/zinc/93/21/81/396932181.db2.gz HSQRKJHTQJUIBG-LLVKDONJSA-N 2 1 310.354 0.829 20 5 DCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCOCC[NH3+] ZINC000600733187 396932187 /nfs/dbraw/zinc/93/21/87/396932187.db2.gz HSQRKJHTQJUIBG-LLVKDONJSA-N 2 1 310.354 0.829 20 5 DCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329836 667506030 /nfs/dbraw/zinc/50/60/30/667506030.db2.gz ZEGMASMIFUIGPJ-IIKSMHAQSA-N 2 1 309.370 0.367 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000923427156 667531303 /nfs/dbraw/zinc/53/13/03/667531303.db2.gz SMPBJLNBSIRWNX-WOSRLPQWSA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000923427156 667531305 /nfs/dbraw/zinc/53/13/05/667531305.db2.gz SMPBJLNBSIRWNX-WOSRLPQWSA-N 2 1 321.377 0.876 20 5 DCBDMP C[N@H+]1C[C@@]2(C)CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309636 669176737 /nfs/dbraw/zinc/17/67/37/669176737.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 1 323.397 0.426 20 5 DCBDMP CN1C[C@]2(C)C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309636 669176741 /nfs/dbraw/zinc/17/67/41/669176741.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 1 323.397 0.426 20 5 DCBDMP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309636 669176746 /nfs/dbraw/zinc/17/67/46/669176746.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 1 323.397 0.426 20 5 DCBDMP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309636 669176750 /nfs/dbraw/zinc/17/67/50/669176750.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 1 323.397 0.426 20 5 DCBDMP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309636 669176751 /nfs/dbraw/zinc/17/67/51/669176751.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 1 323.397 0.426 20 5 DCBDMP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000931309636 669176754 /nfs/dbraw/zinc/17/67/54/669176754.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 1 323.397 0.426 20 5 DCBDMP COc1c(O)ccc(C[NH+]2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001579136643 1165221426 /nfs/dbraw/zinc/22/14/26/1165221426.db2.gz PGKYTTIOLFAPJQ-UHFFFAOYSA-N 2 1 311.338 0.595 20 5 DCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579877236 1165420532 /nfs/dbraw/zinc/42/05/32/1165420532.db2.gz FBMOIJPWYVWFOY-GFCCVEGCSA-N 2 1 323.397 0.943 20 5 DCBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273052 956000512 /nfs/dbraw/zinc/00/05/12/956000512.db2.gz MPLIOIQKZYNXFO-OCCSQVGLSA-N 2 1 309.366 0.876 20 5 DCBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361215243 416425963 /nfs/dbraw/zinc/42/59/63/416425963.db2.gz IEKWMJBNDPAGDB-FZMZJTMJSA-N 2 1 324.381 0.824 20 5 DCBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000436059000 416547471 /nfs/dbraw/zinc/54/74/71/416547471.db2.gz JQJFHWOSFWNIBE-LBPRGKRZSA-N 2 1 324.385 0.111 20 5 DCBDMP [NH3+][C@H]1C[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489689 416987492 /nfs/dbraw/zinc/98/74/92/416987492.db2.gz BTLZWKFIQPWBOP-KBPBESRZSA-N 2 1 304.350 0.381 20 5 DCBDMP [NH3+][C@H]1C[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489689 416987498 /nfs/dbraw/zinc/98/74/98/416987498.db2.gz BTLZWKFIQPWBOP-KBPBESRZSA-N 2 1 304.350 0.381 20 5 DCBDMP C[NH+]1CCC2(CC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899909652 663199072 /nfs/dbraw/zinc/19/90/72/663199072.db2.gz GMYQWLBTQOVBOF-ZDUSSCGKSA-N 2 1 309.370 0.322 20 5 DCBDMP C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899909651 663199187 /nfs/dbraw/zinc/19/91/87/663199187.db2.gz GMYQWLBTQOVBOF-CYBMUJFWSA-N 2 1 309.370 0.322 20 5 DCBDMP C[NH+](C)CCN1CC[N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040098 760555799 /nfs/dbraw/zinc/55/57/99/760555799.db2.gz XWQZSGMVNYZUMJ-KBPBESRZSA-N 2 1 312.414 0.528 20 5 DCBDMP CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001170504228 763387246 /nfs/dbraw/zinc/38/72/46/763387246.db2.gz DPVVDPFPGJYPEW-UHFFFAOYSA-N 2 1 307.398 0.885 20 5 DCBDMP CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001170504228 763387256 /nfs/dbraw/zinc/38/72/56/763387256.db2.gz DPVVDPFPGJYPEW-UHFFFAOYSA-N 2 1 307.398 0.885 20 5 DCBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573244 767083655 /nfs/dbraw/zinc/08/36/55/767083655.db2.gz NCHLSWVKRZNEFN-OLZOCXBDSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159679018 771943769 /nfs/dbraw/zinc/94/37/69/771943769.db2.gz AUSGIUXHUSLPQU-BLDJZWNYSA-N 2 1 307.354 0.514 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@]13CC[NH2+]C3)C2 ZINC001246626599 945446735 /nfs/dbraw/zinc/44/67/35/945446735.db2.gz SMPVAOUYPIQJOU-HZPDHXFCSA-N 2 1 302.378 0.699 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419445 396663534 /nfs/dbraw/zinc/66/35/34/396663534.db2.gz HKWXDSMMDZARBV-VHDGCEQUSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419445 396663536 /nfs/dbraw/zinc/66/35/36/396663536.db2.gz HKWXDSMMDZARBV-VHDGCEQUSA-N 2 1 323.397 0.975 20 5 DCBDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317522 397155368 /nfs/dbraw/zinc/15/53/68/397155368.db2.gz LRMFDGTZGXDCEJ-OCCSQVGLSA-N 2 1 311.386 0.474 20 5 DCBDMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526695 417005561 /nfs/dbraw/zinc/00/55/61/417005561.db2.gz DUYCFPIPOMWGMH-AGIUHOORSA-N 2 1 311.386 0.787 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923363581 667515784 /nfs/dbraw/zinc/51/57/84/667515784.db2.gz CWHVBEWVWZJLSX-BPLDGKMQSA-N 2 1 323.397 0.616 20 5 DCBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366281 667517019 /nfs/dbraw/zinc/51/70/19/667517019.db2.gz JHCWCTWJMSWQSA-HZPDHXFCSA-N 2 1 320.393 0.608 20 5 DCBDMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420134 397057492 /nfs/dbraw/zinc/05/74/92/397057492.db2.gz MEKGSIVPOQOVSV-GXTWGEPZSA-N 2 1 323.397 0.789 20 5 DCBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352504530 415199333 /nfs/dbraw/zinc/19/93/33/415199333.db2.gz RATSOGHOVZPOGU-HNNXBMFYSA-N 2 1 320.393 0.953 20 5 DCBDMP C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922505 415368321 /nfs/dbraw/zinc/36/83/21/415368321.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 2 1 323.397 0.709 20 5 DCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922506 415370709 /nfs/dbraw/zinc/37/07/09/415370709.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 2 1 323.397 0.709 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923363582 667515766 /nfs/dbraw/zinc/51/57/66/667515766.db2.gz CWHVBEWVWZJLSX-CFVMTHIKSA-N 2 1 323.397 0.616 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923415171 667530592 /nfs/dbraw/zinc/53/05/92/667530592.db2.gz QLYYKJGUPVXDJZ-IACUBPJLSA-N 2 1 309.370 0.226 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056300 760566214 /nfs/dbraw/zinc/56/62/14/760566214.db2.gz RJUOVUGGKUIIHH-MCIONIFRSA-N 2 1 312.414 0.574 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056300 760566218 /nfs/dbraw/zinc/56/62/18/760566218.db2.gz RJUOVUGGKUIIHH-MCIONIFRSA-N 2 1 312.414 0.574 20 5 DCBDMP [NH3+][C@@H](CO)Cc1c[nH+]cn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574019 946410643 /nfs/dbraw/zinc/41/06/43/946410643.db2.gz FIYNCUKMLBQVIY-TZMCWYRMSA-N 2 1 302.334 0.993 20 5 DCBDMP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000361215245 416426079 /nfs/dbraw/zinc/42/60/79/416426079.db2.gz IEKWMJBNDPAGDB-SMDDNHRTSA-N 2 1 324.381 0.824 20 5 DCBDMP COc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155373441 770481161 /nfs/dbraw/zinc/48/11/61/770481161.db2.gz QNXYDJFTAZJGNT-GFCCVEGCSA-N 2 1 321.381 0.858 20 5 DCBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066781 396523351 /nfs/dbraw/zinc/52/33/51/396523351.db2.gz XHJDQPWIGLBMHF-SMDDNHRTSA-N 2 1 322.369 0.583 20 5 DCBDMP Cc1[nH]nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000530641766 396580608 /nfs/dbraw/zinc/58/06/08/396580608.db2.gz IKIJIGWHGQIMRP-UHFFFAOYSA-N 2 1 312.374 0.192 20 5 DCBDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618949 /nfs/dbraw/zinc/61/89/49/396618949.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618950 /nfs/dbraw/zinc/61/89/50/396618950.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618951 /nfs/dbraw/zinc/61/89/51/396618951.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618952 /nfs/dbraw/zinc/61/89/52/396618952.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 2 1 323.397 0.570 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000877022230 668553319 /nfs/dbraw/zinc/55/33/19/668553319.db2.gz QUPGREFVADXGBH-GWIFJHRUSA-N 2 1 321.381 0.948 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000877022230 668553322 /nfs/dbraw/zinc/55/33/22/668553322.db2.gz QUPGREFVADXGBH-GWIFJHRUSA-N 2 1 321.381 0.948 20 5 DCBDMP [NH3+][C@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167190 1165524768 /nfs/dbraw/zinc/52/47/68/1165524768.db2.gz VLMIKXQALVEYKT-CBBWQLFWSA-N 2 1 321.377 0.849 20 5 DCBDMP COc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000316208331 396794644 /nfs/dbraw/zinc/79/46/44/396794644.db2.gz XTYNNUYWPGFTTC-UHFFFAOYSA-N 2 1 308.382 0.940 20 5 DCBDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578618615 397459834 /nfs/dbraw/zinc/45/98/34/397459834.db2.gz JJMGFXLVIDWDTM-CYBMUJFWSA-N 2 1 308.342 0.337 20 5 DCBDMP O=[N+]([O-])c1ccccc1OCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352520087 415205716 /nfs/dbraw/zinc/20/57/16/415205716.db2.gz VAZGNQJPDUIAGX-CQSZACIVSA-N 2 1 320.393 0.953 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923357518 667513608 /nfs/dbraw/zinc/51/36/08/667513608.db2.gz XQJQYAYTAQQJSI-UONOGXRCSA-N 2 1 309.370 0.228 20 5 DCBDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573505 669066112 /nfs/dbraw/zinc/06/61/12/669066112.db2.gz OYCHQGMXAHRLJN-BNOWGMLFSA-N 2 1 309.370 0.178 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573505 669066117 /nfs/dbraw/zinc/06/61/17/669066117.db2.gz OYCHQGMXAHRLJN-BNOWGMLFSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573505 669066121 /nfs/dbraw/zinc/06/61/21/669066121.db2.gz OYCHQGMXAHRLJN-BNOWGMLFSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573505 669066123 /nfs/dbraw/zinc/06/61/23/669066123.db2.gz OYCHQGMXAHRLJN-BNOWGMLFSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520610 1159057524 /nfs/dbraw/zinc/05/75/24/1159057524.db2.gz YFICNNIKCZEFMH-YNEHKIRRSA-N 2 1 311.386 0.471 20 5 DCBDMP Nc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155375475 770481176 /nfs/dbraw/zinc/48/11/76/770481176.db2.gz FDYMGQLRBWVFRW-NSHDSACASA-N 2 1 306.370 0.431 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001254571709 946409564 /nfs/dbraw/zinc/40/95/64/946409564.db2.gz AQUHSECGLXVZGE-HNNXBMFYSA-N 2 1 323.393 0.328 20 5 DCBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273048 955999677 /nfs/dbraw/zinc/99/96/77/955999677.db2.gz MPLIOIQKZYNXFO-GXTWGEPZSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422345 396663550 /nfs/dbraw/zinc/66/35/50/396663550.db2.gz RIVLXNHMWFWYAS-MGPQQGTHSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422345 396663552 /nfs/dbraw/zinc/66/35/52/396663552.db2.gz RIVLXNHMWFWYAS-MGPQQGTHSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381886 416802661 /nfs/dbraw/zinc/80/26/61/416802661.db2.gz PBPVYCYBCDCLDA-FZMZJTMJSA-N 2 1 309.370 0.446 20 5 DCBDMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381886 416802670 /nfs/dbraw/zinc/80/26/70/416802670.db2.gz PBPVYCYBCDCLDA-FZMZJTMJSA-N 2 1 309.370 0.446 20 5 DCBDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679706 277184225 /nfs/dbraw/zinc/18/42/25/277184225.db2.gz VXAHFHONRWYMJX-IPYPFGDCSA-N 2 1 323.397 0.931 20 5 DCBDMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679706 277184227 /nfs/dbraw/zinc/18/42/27/277184227.db2.gz VXAHFHONRWYMJX-IPYPFGDCSA-N 2 1 323.397 0.931 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000877022229 668553578 /nfs/dbraw/zinc/55/35/78/668553578.db2.gz QUPGREFVADXGBH-CTBQFLBTSA-N 2 1 321.381 0.948 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000877022229 668553579 /nfs/dbraw/zinc/55/35/79/668553579.db2.gz QUPGREFVADXGBH-CTBQFLBTSA-N 2 1 321.381 0.948 20 5 DCBDMP C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CC[NH2+]CC2)O1 ZINC001576807232 1164471063 /nfs/dbraw/zinc/47/10/63/1164471063.db2.gz OJUAPCQOBIZDKN-GFCCVEGCSA-N 2 1 309.370 0.634 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056299 760566254 /nfs/dbraw/zinc/56/62/54/760566254.db2.gz RJUOVUGGKUIIHH-BFHYXJOUSA-N 2 1 312.414 0.574 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056299 760566257 /nfs/dbraw/zinc/56/62/57/760566257.db2.gz RJUOVUGGKUIIHH-BFHYXJOUSA-N 2 1 312.414 0.574 20 5 DCBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573243 767083505 /nfs/dbraw/zinc/08/35/05/767083505.db2.gz NCHLSWVKRZNEFN-CHWSQXEVSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594498268 397563776 /nfs/dbraw/zinc/56/37/76/397563776.db2.gz IWIFUWIBBOXINT-CYBMUJFWSA-N 2 1 309.370 0.634 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833509 397622925 /nfs/dbraw/zinc/62/29/25/397622925.db2.gz QEMJFDCCPPWEDE-SGMGOOAPSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923363584 667515739 /nfs/dbraw/zinc/51/57/39/667515739.db2.gz CWHVBEWVWZJLSX-YUELXQCFSA-N 2 1 323.397 0.616 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000877022231 668553632 /nfs/dbraw/zinc/55/36/32/668553632.db2.gz QUPGREFVADXGBH-HNQLUHSGSA-N 2 1 321.381 0.948 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000877022231 668553636 /nfs/dbraw/zinc/55/36/36/668553636.db2.gz QUPGREFVADXGBH-HNQLUHSGSA-N 2 1 321.381 0.948 20 5 DCBDMP [NH3+][C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1(F)F ZINC001164329813 772647227 /nfs/dbraw/zinc/64/72/27/772647227.db2.gz ZVCTVNFAIOIKQA-VIFPVBQESA-N 2 1 314.296 0.244 20 5 DCBDMP C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001335397371 952531545 /nfs/dbraw/zinc/53/15/45/952531545.db2.gz GGDNJKPEGKCWTA-APHBMKBZSA-N 2 1 322.409 0.852 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280053 667492034 /nfs/dbraw/zinc/49/20/34/667492034.db2.gz CNXMNMQKMRIBQC-AWEZNQCLSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923331480 667507206 /nfs/dbraw/zinc/50/72/06/667507206.db2.gz MGCQPTRMYTVTAW-ZDUSSCGKSA-N 2 1 309.370 0.228 20 5 DCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839620456 668126196 /nfs/dbraw/zinc/12/61/96/668126196.db2.gz ORGGQBMXHHITKY-BFHYXJOUSA-N 2 1 312.414 0.526 20 5 DCBDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620456 668126197 /nfs/dbraw/zinc/12/61/97/668126197.db2.gz ORGGQBMXHHITKY-BFHYXJOUSA-N 2 1 312.414 0.526 20 5 DCBDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839620456 668126199 /nfs/dbraw/zinc/12/61/99/668126199.db2.gz ORGGQBMXHHITKY-BFHYXJOUSA-N 2 1 312.414 0.526 20 5 DCBDMP Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001168988766 760546185 /nfs/dbraw/zinc/54/61/85/760546185.db2.gz AZDVVLFSTOZPLR-UHFFFAOYSA-N 2 1 316.365 0.973 20 5 DCBDMP Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001168988766 760546192 /nfs/dbraw/zinc/54/61/92/760546192.db2.gz AZDVVLFSTOZPLR-UHFFFAOYSA-N 2 1 316.365 0.973 20 5 DCBDMP C[NH+](C)CCOc1cc(N[C@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170900053 766250927 /nfs/dbraw/zinc/25/09/27/766250927.db2.gz HUHLAIJOJNEJGM-AWEZNQCLSA-N 2 1 311.386 0.971 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC[NH+](CCO)CCO)C2 ZINC001254571710 946409222 /nfs/dbraw/zinc/40/92/22/946409222.db2.gz AQUHSECGLXVZGE-OAHLLOKOSA-N 2 1 323.393 0.328 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000304287183 396728818 /nfs/dbraw/zinc/72/88/18/396728818.db2.gz BBGXLUFHBKKQLX-DZGCQCFKSA-N 2 1 323.397 0.570 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000304287183 396728819 /nfs/dbraw/zinc/72/88/19/396728819.db2.gz BBGXLUFHBKKQLX-DZGCQCFKSA-N 2 1 323.397 0.570 20 5 DCBDMP CC(C)([NH3+])C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415079355 417328998 /nfs/dbraw/zinc/32/89/98/417328998.db2.gz JYVXJJDHNHIFDP-UHFFFAOYSA-N 2 1 316.383 0.200 20 5 DCBDMP CCOC(=O)c1ccnc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157101279 771536035 /nfs/dbraw/zinc/53/60/35/771536035.db2.gz DCTREIWEJSIZKP-UHFFFAOYSA-N 2 1 324.341 0.842 20 5 DCBDMP COc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246587949 945437867 /nfs/dbraw/zinc/43/78/67/945437867.db2.gz XALICRNAWAAAKH-WBIUFABUSA-N 2 1 309.366 0.786 20 5 DCBDMP COc1ccc(C[C@H](C)[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246587949 945437872 /nfs/dbraw/zinc/43/78/72/945437872.db2.gz XALICRNAWAAAKH-WBIUFABUSA-N 2 1 309.366 0.786 20 5 DCBDMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923285542 667495326 /nfs/dbraw/zinc/49/53/26/667495326.db2.gz HNLXBHBVRRBQDF-HNNXBMFYSA-N 2 1 308.382 0.465 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056301 760565913 /nfs/dbraw/zinc/56/59/13/760565913.db2.gz RJUOVUGGKUIIHH-MGPQQGTHSA-N 2 1 312.414 0.574 20 5 DCBDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056301 760565918 /nfs/dbraw/zinc/56/59/18/760565918.db2.gz RJUOVUGGKUIIHH-MGPQQGTHSA-N 2 1 312.414 0.574 20 5 DCBDMP C[N@@H+]1CCc2c(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)ccc([N+](=O)[O-])c2C1 ZINC001163147290 772471853 /nfs/dbraw/zinc/47/18/53/772471853.db2.gz NHCIJFFZAPBHOP-BPLDGKMQSA-N 2 1 318.377 0.981 20 5 DCBDMP C[N@H+]1CCc2c(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)ccc([N+](=O)[O-])c2C1 ZINC001163147290 772471855 /nfs/dbraw/zinc/47/18/55/772471855.db2.gz NHCIJFFZAPBHOP-BPLDGKMQSA-N 2 1 318.377 0.981 20 5 DCBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262484722 396145929 /nfs/dbraw/zinc/14/59/29/396145929.db2.gz KHYBAQOKLYAEJG-DRZSPHRISA-N 2 1 304.350 0.863 20 5 DCBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262484722 396145932 /nfs/dbraw/zinc/14/59/32/396145932.db2.gz KHYBAQOKLYAEJG-DRZSPHRISA-N 2 1 304.350 0.863 20 5 DCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329835 667506135 /nfs/dbraw/zinc/50/61/35/667506135.db2.gz ZEGMASMIFUIGPJ-BRZZBQFESA-N 2 1 309.370 0.367 20 5 DCBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366282 667517203 /nfs/dbraw/zinc/51/72/03/667517203.db2.gz JHCWCTWJMSWQSA-JKSUJKDBSA-N 2 1 320.393 0.608 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923428783 667531669 /nfs/dbraw/zinc/53/16/69/667531669.db2.gz RFWVQJMLASWNQK-GJZGRUSLSA-N 2 1 323.397 0.618 20 5 DCBDMP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC[NH2+]CC1 ZINC000923466305 667537649 /nfs/dbraw/zinc/53/76/49/667537649.db2.gz MRCYSWDWJQZMLC-GFCCVEGCSA-N 2 1 321.381 0.417 20 5 DCBDMP C[N@@H+](CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473920 1165028445 /nfs/dbraw/zinc/02/84/45/1165028445.db2.gz UPZNHGKSFQLSNJ-HNNXBMFYSA-N 2 1 306.366 0.979 20 5 DCBDMP O=[N+]([O-])c1ccc(OCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504910 415196446 /nfs/dbraw/zinc/19/64/46/415196446.db2.gz WAGHTSLBAFQSIQ-OAHLLOKOSA-N 2 1 320.393 0.953 20 5 DCBDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000436054535 416545857 /nfs/dbraw/zinc/54/58/57/416545857.db2.gz HQKXJRDBWALGBH-LBPRGKRZSA-N 2 1 324.385 0.111 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290405 667496741 /nfs/dbraw/zinc/49/67/41/667496741.db2.gz MVLKTVKXAJSEIQ-STQMWFEESA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290405 667496744 /nfs/dbraw/zinc/49/67/44/667496744.db2.gz MVLKTVKXAJSEIQ-STQMWFEESA-N 2 1 309.366 0.876 20 5 DCBDMP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH2+]CC[NH2+]CC1 ZINC000923466306 667537842 /nfs/dbraw/zinc/53/78/42/667537842.db2.gz MRCYSWDWJQZMLC-LBPRGKRZSA-N 2 1 321.381 0.417 20 5 DCBDMP C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001157283340 771576273 /nfs/dbraw/zinc/57/62/73/771576273.db2.gz URAWBUFLAYUAKZ-MFKMUULPSA-N 2 1 318.381 0.602 20 5 DCBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001163122086 772468261 /nfs/dbraw/zinc/46/82/61/772468261.db2.gz BGXHPFUVJUWMBK-UHFFFAOYSA-N 2 1 311.346 0.671 20 5 DCBDMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627654 956912166 /nfs/dbraw/zinc/91/21/66/956912166.db2.gz ASYIWTBJCYVIKK-JSGCOSHPSA-N 2 1 311.386 0.474 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582496 396783346 /nfs/dbraw/zinc/78/33/46/396783346.db2.gz PRIWIZGTSWJWFI-RISCZKNCSA-N 2 1 309.370 0.226 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923428782 667531560 /nfs/dbraw/zinc/53/15/60/667531560.db2.gz RFWVQJMLASWNQK-CABCVRRESA-N 2 1 323.397 0.618 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435762 669203608 /nfs/dbraw/zinc/20/36/08/669203608.db2.gz NQFGNHHLYGTZIT-DYEKYZERSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435762 669203612 /nfs/dbraw/zinc/20/36/12/669203612.db2.gz NQFGNHHLYGTZIT-DYEKYZERSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435762 669203618 /nfs/dbraw/zinc/20/36/18/669203618.db2.gz NQFGNHHLYGTZIT-DYEKYZERSA-N 2 1 309.370 0.036 20 5 DCBDMP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523543 1165041095 /nfs/dbraw/zinc/04/10/95/1165041095.db2.gz MNAINYPOYLVXQC-PEYYIBSZSA-N 2 1 318.377 0.931 20 5 DCBDMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523543 1165041104 /nfs/dbraw/zinc/04/11/04/1165041104.db2.gz MNAINYPOYLVXQC-PEYYIBSZSA-N 2 1 318.377 0.931 20 5 DCBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981404 /nfs/dbraw/zinc/98/14/04/395981404.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 2 1 323.397 0.568 20 5 DCBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981408 /nfs/dbraw/zinc/98/14/08/395981408.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 2 1 323.397 0.568 20 5 DCBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981410 /nfs/dbraw/zinc/98/14/10/395981410.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 2 1 323.397 0.568 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582498 396782835 /nfs/dbraw/zinc/78/28/35/396782835.db2.gz PRIWIZGTSWJWFI-SMDDNHRTSA-N 2 1 309.370 0.226 20 5 DCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCOCC[NH3+] ZINC000600733605 396933552 /nfs/dbraw/zinc/93/35/52/396933552.db2.gz KYINNCKKEFQDHT-LLVKDONJSA-N 2 1 310.354 0.829 20 5 DCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCOCC[NH3+] ZINC000600733605 396933559 /nfs/dbraw/zinc/93/35/59/396933559.db2.gz KYINNCKKEFQDHT-LLVKDONJSA-N 2 1 310.354 0.829 20 5 DCBDMP CN(C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365881 415150958 /nfs/dbraw/zinc/15/09/58/415150958.db2.gz YFEKVWWBJDGCOK-AWEZNQCLSA-N 2 1 323.397 0.883 20 5 DCBDMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269820 415937099 /nfs/dbraw/zinc/93/70/99/415937099.db2.gz MGTJOOUBMOQNAT-AWEZNQCLSA-N 2 1 311.386 0.570 20 5 DCBDMP C[NH+]1CCN(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000879592774 669069937 /nfs/dbraw/zinc/06/99/37/669069937.db2.gz PLFGQFOHYLTJEK-UHFFFAOYSA-N 2 1 322.413 0.503 20 5 DCBDMP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255298 /nfs/dbraw/zinc/25/52/98/669255298.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 2 1 309.370 0.321 20 5 DCBDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255301 /nfs/dbraw/zinc/25/53/01/669255301.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 2 1 309.370 0.321 20 5 DCBDMP CC(C)[N@@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001157021811 771519117 /nfs/dbraw/zinc/51/91/17/771519117.db2.gz QXHUPIAWTHGWFS-GFCCVEGCSA-N 2 1 320.397 0.991 20 5 DCBDMP CN(CC[NH3+])CCNc1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001159438661 771910206 /nfs/dbraw/zinc/91/02/06/771910206.db2.gz ZUPLWMBLCBOBSG-QPJJXVBHSA-N 2 1 308.386 0.825 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N[C@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159679027 771943780 /nfs/dbraw/zinc/94/37/80/771943780.db2.gz AUSGIUXHUSLPQU-QSKOYVBTSA-N 2 1 307.354 0.514 20 5 DCBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262484726 396145955 /nfs/dbraw/zinc/14/59/55/396145955.db2.gz KHYBAQOKLYAEJG-UHTWSYAYSA-N 2 1 304.350 0.863 20 5 DCBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262484726 396145959 /nfs/dbraw/zinc/14/59/59/396145959.db2.gz KHYBAQOKLYAEJG-UHTWSYAYSA-N 2 1 304.350 0.863 20 5 DCBDMP COC(=O)COc1ccc(C[N@H+](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000563130110 396706493 /nfs/dbraw/zinc/70/64/93/396706493.db2.gz RCFIPRSNPNQJNB-UHFFFAOYSA-N 2 1 311.338 0.927 20 5 DCBDMP COC(=O)COc1ccc(C[N@@H+](C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000563130110 396706496 /nfs/dbraw/zinc/70/64/96/396706496.db2.gz RCFIPRSNPNQJNB-UHFFFAOYSA-N 2 1 311.338 0.927 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428784 667531720 /nfs/dbraw/zinc/53/17/20/667531720.db2.gz RFWVQJMLASWNQK-HUUCEWRRSA-N 2 1 323.397 0.618 20 5 DCBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CCN(C3C[NH2+]C3)CC2)c1 ZINC001580876024 1165749623 /nfs/dbraw/zinc/74/96/23/1165749623.db2.gz XCINDHMLAGRQHG-UHFFFAOYSA-N 2 1 306.366 0.563 20 5 DCBDMP Cc1[nH+]c(N)ccc1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001167786019 748283617 /nfs/dbraw/zinc/28/36/17/748283617.db2.gz FXPBESDLZIGHQV-UHFFFAOYSA-N 2 1 315.337 0.969 20 5 DCBDMP Cc1nc(Cl)nc(NC(=N)N2CCN(C)CC2)c1[N+](=O)[O-] ZINC001157911084 771691255 /nfs/dbraw/zinc/69/12/55/771691255.db2.gz WZWCLDCQDWTWOQ-UHFFFAOYSA-N 2 1 313.749 0.941 20 5 DCBDMP [NH3+][C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246558721 945432807 /nfs/dbraw/zinc/43/28/07/945432807.db2.gz MRHYDUACMHQQBM-HZPDHXFCSA-N 2 1 320.393 0.958 20 5 DCBDMP C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001335397372 952531520 /nfs/dbraw/zinc/53/15/20/952531520.db2.gz GGDNJKPEGKCWTA-MAZHCROVSA-N 2 1 322.409 0.852 20 5 DCBDMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420385727 287294666 /nfs/dbraw/zinc/29/46/66/287294666.db2.gz HWQPNFGPLQDRQR-GFCCVEGCSA-N 2 1 322.365 0.973 20 5 DCBDMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420385727 287294670 /nfs/dbraw/zinc/29/46/70/287294670.db2.gz HWQPNFGPLQDRQR-GFCCVEGCSA-N 2 1 322.365 0.973 20 5 DCBDMP C[N@@H+](CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473921 1165029271 /nfs/dbraw/zinc/02/92/71/1165029271.db2.gz UPZNHGKSFQLSNJ-OAHLLOKOSA-N 2 1 306.366 0.979 20 5 DCBDMP [NH3+]C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230059 1165543020 /nfs/dbraw/zinc/54/30/20/1165543020.db2.gz XWKVGZXWVWQAKX-KGLIPLIRSA-N 2 1 311.386 0.649 20 5 DCBDMP CO[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC001158710280 771811541 /nfs/dbraw/zinc/81/15/41/771811541.db2.gz ATMOTARKYMIISZ-SOHMCZBRSA-N 2 1 307.354 0.684 20 5 DCBDMP CC[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001163772875 772568337 /nfs/dbraw/zinc/56/83/37/772568337.db2.gz QUGPBOZJRHWBLB-UHFFFAOYSA-N 2 1 306.370 0.604 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1)CC2 ZINC001246493911 945419158 /nfs/dbraw/zinc/41/91/58/945419158.db2.gz GTLSNDDKBYGNQH-CABCVRRESA-N 2 1 304.394 0.993 20 5 DCBDMP [NH3+]C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001246579366 945436011 /nfs/dbraw/zinc/43/60/11/945436011.db2.gz IVFZHRQREQEARN-LRDDRELGSA-N 2 1 320.393 0.815 20 5 DCBDMP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246587946 945438760 /nfs/dbraw/zinc/43/87/60/945438760.db2.gz XALICRNAWAAAKH-GMXABZIVSA-N 2 1 309.366 0.786 20 5 DCBDMP COc1ccc(C[C@@H](C)[N@H+]2C[C@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246587946 945438761 /nfs/dbraw/zinc/43/87/61/945438761.db2.gz XALICRNAWAAAKH-GMXABZIVSA-N 2 1 309.366 0.786 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CC[NH2+]C[C@@]13CC[NH2+]C3)C2 ZINC001246626222 945446049 /nfs/dbraw/zinc/44/60/49/945446049.db2.gz SMPVAOUYPIQJOU-CVEARBPZSA-N 2 1 302.378 0.699 20 5 DCBDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396618997 /nfs/dbraw/zinc/61/89/97/396618997.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396618998 /nfs/dbraw/zinc/61/89/98/396618998.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396618999 /nfs/dbraw/zinc/61/89/99/396618999.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396619000 /nfs/dbraw/zinc/61/90/00/396619000.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386612 396731245 /nfs/dbraw/zinc/73/12/45/396731245.db2.gz ZUXXMIKHZRSWDK-CQSZACIVSA-N 2 1 311.386 0.568 20 5 DCBDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386612 396731249 /nfs/dbraw/zinc/73/12/49/396731249.db2.gz ZUXXMIKHZRSWDK-CQSZACIVSA-N 2 1 311.386 0.568 20 5 DCBDMP CC[NH+]1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386611 396731526 /nfs/dbraw/zinc/73/15/26/396731526.db2.gz ZUXXMIKHZRSWDK-AWEZNQCLSA-N 2 1 311.386 0.568 20 5 DCBDMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386611 396731531 /nfs/dbraw/zinc/73/15/31/396731531.db2.gz ZUXXMIKHZRSWDK-AWEZNQCLSA-N 2 1 311.386 0.568 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290404 667496926 /nfs/dbraw/zinc/49/69/26/667496926.db2.gz MVLKTVKXAJSEIQ-QWHCGFSZSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290404 667496927 /nfs/dbraw/zinc/49/69/27/667496927.db2.gz MVLKTVKXAJSEIQ-QWHCGFSZSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923329134 667506264 /nfs/dbraw/zinc/50/62/64/667506264.db2.gz PBJWVSFDJNVOTD-BPLDGKMQSA-N 2 1 323.397 0.616 20 5 DCBDMP Nc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375132 770481301 /nfs/dbraw/zinc/48/13/01/770481301.db2.gz AQSNFADKWDMNRC-LLVKDONJSA-N 2 1 306.370 0.431 20 5 DCBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348159 287293738 /nfs/dbraw/zinc/29/37/38/287293738.db2.gz JXLJCFUQXQIASU-HNNXBMFYSA-N 2 1 320.393 0.953 20 5 DCBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366279 667517140 /nfs/dbraw/zinc/51/71/40/667517140.db2.gz JHCWCTWJMSWQSA-CVEARBPZSA-N 2 1 320.393 0.608 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923368007 667517986 /nfs/dbraw/zinc/51/79/86/667517986.db2.gz ZKPGNWJKGJNFOE-KBPBESRZSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923368007 667517989 /nfs/dbraw/zinc/51/79/89/667517989.db2.gz ZKPGNWJKGJNFOE-KBPBESRZSA-N 2 1 309.370 0.228 20 5 DCBDMP C[N@@H+]1CCc2c(-n3nnc(CC[NH3+])n3)ccc([N+](=O)[O-])c2C1 ZINC001167792034 748314558 /nfs/dbraw/zinc/31/45/58/748314558.db2.gz RDWXZWWSMPHHGL-UHFFFAOYSA-N 2 1 303.326 0.060 20 5 DCBDMP C[N@H+]1CCc2c(-n3nnc(CC[NH3+])n3)ccc([N+](=O)[O-])c2C1 ZINC001167792034 748314566 /nfs/dbraw/zinc/31/45/66/748314566.db2.gz RDWXZWWSMPHHGL-UHFFFAOYSA-N 2 1 303.326 0.060 20 5 DCBDMP Nc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CC(C[NH3+])C2)C1 ZINC001155375133 770481427 /nfs/dbraw/zinc/48/14/27/770481427.db2.gz AQSNFADKWDMNRC-NSHDSACASA-N 2 1 306.370 0.431 20 5 DCBDMP [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1(F)F ZINC001164329812 772647347 /nfs/dbraw/zinc/64/73/47/772647347.db2.gz ZVCTVNFAIOIKQA-SECBINFHSA-N 2 1 314.296 0.244 20 5 DCBDMP [NH3+]C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246583048 945435039 /nfs/dbraw/zinc/43/50/39/945435039.db2.gz IVFZHRQREQEARN-BLLLJJGKSA-N 2 1 320.393 0.815 20 5 DCBDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085088 /nfs/dbraw/zinc/08/50/88/253085088.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085089 /nfs/dbraw/zinc/08/50/89/253085089.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085092 /nfs/dbraw/zinc/08/50/92/253085092.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 2 1 323.397 0.570 20 5 DCBDMP CC[N@@H+](C)C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420136 397057694 /nfs/dbraw/zinc/05/76/94/397057694.db2.gz MEKGSIVPOQOVSV-OCCSQVGLSA-N 2 1 323.397 0.789 20 5 DCBDMP O=[N+]([O-])c1ccccc1N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000420320441 287290512 /nfs/dbraw/zinc/29/05/12/287290512.db2.gz QDUCLJUNBZGOPJ-UHFFFAOYSA-N 2 1 319.409 0.622 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291468 667493768 /nfs/dbraw/zinc/49/37/68/667493768.db2.gz STJNHPNSQALURI-OCCSQVGLSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291468 667493770 /nfs/dbraw/zinc/49/37/70/667493770.db2.gz STJNHPNSQALURI-OCCSQVGLSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290403 667496952 /nfs/dbraw/zinc/49/69/52/667496952.db2.gz MVLKTVKXAJSEIQ-OLZOCXBDSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290403 667496954 /nfs/dbraw/zinc/49/69/54/667496954.db2.gz MVLKTVKXAJSEIQ-OLZOCXBDSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923368012 667517664 /nfs/dbraw/zinc/51/76/64/667517664.db2.gz ZKPGNWJKGJNFOE-ZIAGYGMSSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923368012 667517666 /nfs/dbraw/zinc/51/76/66/667517666.db2.gz ZKPGNWJKGJNFOE-ZIAGYGMSSA-N 2 1 309.370 0.228 20 5 DCBDMP C[NH+](C)CCOc1cc(N[C@@H](N)CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170900054 766250804 /nfs/dbraw/zinc/25/08/04/766250804.db2.gz HUHLAIJOJNEJGM-CQSZACIVSA-N 2 1 311.386 0.971 20 5 DCBDMP [NH2+]=C(NCCCC[NH3+])Nc1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001157097046 771533728 /nfs/dbraw/zinc/53/37/28/771533728.db2.gz RIVMUNQBDDJSME-UHFFFAOYSA-N 2 1 302.722 0.557 20 5 DCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261826842 396070571 /nfs/dbraw/zinc/07/05/71/396070571.db2.gz BEKFGTBDCQMYSA-CYBMUJFWSA-N 2 1 306.366 0.882 20 5 DCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000262003172 396089142 /nfs/dbraw/zinc/08/91/42/396089142.db2.gz VLJWKYMHJOIASL-CYBMUJFWSA-N 2 1 306.366 0.882 20 5 DCBDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573795045 397204883 /nfs/dbraw/zinc/20/48/83/397204883.db2.gz JWOWGXUMWMWLJC-CQSZACIVSA-N 2 1 322.369 0.727 20 5 DCBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349373 262369890 /nfs/dbraw/zinc/36/98/90/262369890.db2.gz OPXFXXONMNBRAX-AWEZNQCLSA-N 2 1 320.393 0.953 20 5 DCBDMP CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923336202 667510239 /nfs/dbraw/zinc/51/02/39/667510239.db2.gz RPHRNVOSKSGRQA-TZMCWYRMSA-N 2 1 311.386 0.616 20 5 DCBDMP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465729 667537558 /nfs/dbraw/zinc/53/75/58/667537558.db2.gz KISHUNDYQRVYPQ-LBPRGKRZSA-N 2 1 321.381 0.417 20 5 DCBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573245 767083005 /nfs/dbraw/zinc/08/30/05/767083005.db2.gz NCHLSWVKRZNEFN-QWHCGFSZSA-N 2 1 309.366 0.876 20 5 DCBDMP CCOC(=O)c1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157096855 771533736 /nfs/dbraw/zinc/53/37/36/771533736.db2.gz NBPCHOQVEWHNDP-UHFFFAOYSA-N 2 1 324.341 0.842 20 5 DCBDMP C[N@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001157283341 771576448 /nfs/dbraw/zinc/57/64/48/771576448.db2.gz URAWBUFLAYUAKZ-ZWNOBZJWSA-N 2 1 318.381 0.602 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1)CC2 ZINC001246493921 945419996 /nfs/dbraw/zinc/41/99/96/945419996.db2.gz GTLSNDDKBYGNQH-HUUCEWRRSA-N 2 1 304.394 0.993 20 5 DCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000602797795 397487373 /nfs/dbraw/zinc/48/73/73/397487373.db2.gz KHTVVNCMORJDAY-UHFFFAOYSA-N 2 1 324.429 0.669 20 5 DCBDMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382671 667521570 /nfs/dbraw/zinc/52/15/70/667521570.db2.gz DWXSPZWFMKGIEV-GXTWGEPZSA-N 2 1 323.397 0.616 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923415173 667530415 /nfs/dbraw/zinc/53/04/15/667530415.db2.gz QLYYKJGUPVXDJZ-MRVWCRGKSA-N 2 1 309.370 0.226 20 5 DCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001579877699 1165419814 /nfs/dbraw/zinc/41/98/14/1165419814.db2.gz ZDFDNDWNSCIARQ-UHFFFAOYSA-N 2 1 309.370 0.554 20 5 DCBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCOC2(CC[NH2+]CC2)C1 ZINC001579877699 1165419816 /nfs/dbraw/zinc/41/98/16/1165419816.db2.gz ZDFDNDWNSCIARQ-UHFFFAOYSA-N 2 1 309.370 0.554 20 5 DCBDMP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229083765 776156061 /nfs/dbraw/zinc/15/60/61/776156061.db2.gz RQBOWVMDGKQFFW-SECBINFHSA-N 2 1 314.337 0.492 20 5 DCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000174875719 416088614 /nfs/dbraw/zinc/08/86/14/416088614.db2.gz NZMNXVMMKZXNHY-CYBMUJFWSA-N 2 1 309.370 0.445 20 5 DCBDMP C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000584049416 416494573 /nfs/dbraw/zinc/49/45/73/416494573.db2.gz ZPLBTHOBBXEQCK-BXUZGUMPSA-N 2 1 309.370 0.392 20 5 DCBDMP CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923336200 667510407 /nfs/dbraw/zinc/51/04/07/667510407.db2.gz RPHRNVOSKSGRQA-JSGCOSHPSA-N 2 1 311.386 0.616 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923357520 667513371 /nfs/dbraw/zinc/51/33/71/667513371.db2.gz XQJQYAYTAQQJSI-ZIAGYGMSSA-N 2 1 309.370 0.228 20 5 DCBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923409305 667529022 /nfs/dbraw/zinc/52/90/22/667529022.db2.gz NSCIHOCCKDJSAW-MCIONIFRSA-N 2 1 309.370 0.084 20 5 DCBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923409305 667529024 /nfs/dbraw/zinc/52/90/24/667529024.db2.gz NSCIHOCCKDJSAW-MCIONIFRSA-N 2 1 309.370 0.084 20 5 DCBDMP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466220 667537553 /nfs/dbraw/zinc/53/75/53/667537553.db2.gz KGQIPCVUGZDTTP-GFCCVEGCSA-N 2 1 321.381 0.417 20 5 DCBDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573507 669065480 /nfs/dbraw/zinc/06/54/80/669065480.db2.gz OYCHQGMXAHRLJN-MRVWCRGKSA-N 2 1 309.370 0.178 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573507 669065483 /nfs/dbraw/zinc/06/54/83/669065483.db2.gz OYCHQGMXAHRLJN-MRVWCRGKSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573507 669065488 /nfs/dbraw/zinc/06/54/88/669065488.db2.gz OYCHQGMXAHRLJN-MRVWCRGKSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573507 669065491 /nfs/dbraw/zinc/06/54/91/669065491.db2.gz OYCHQGMXAHRLJN-MRVWCRGKSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520608 1159057776 /nfs/dbraw/zinc/05/77/76/1159057776.db2.gz YFICNNIKCZEFMH-JHJVBQTASA-N 2 1 311.386 0.471 20 5 DCBDMP C[N@@H+]1CCc2c(N[C@H]3C[NH2+]C[C@@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784483 765763228 /nfs/dbraw/zinc/76/32/28/765763228.db2.gz UMJQJGPOXMYAGV-YGRLFVJLSA-N 2 1 306.366 0.575 20 5 DCBDMP C[N@H+]1CCc2c(N[C@H]3C[NH2+]C[C@@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784483 765763233 /nfs/dbraw/zinc/76/32/33/765763233.db2.gz UMJQJGPOXMYAGV-YGRLFVJLSA-N 2 1 306.366 0.575 20 5 DCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261826850 396070515 /nfs/dbraw/zinc/07/05/15/396070515.db2.gz BEKFGTBDCQMYSA-ZDUSSCGKSA-N 2 1 306.366 0.882 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582495 396782999 /nfs/dbraw/zinc/78/29/99/396782999.db2.gz PRIWIZGTSWJWFI-FZMZJTMJSA-N 2 1 309.370 0.226 20 5 DCBDMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326736 396730278 /nfs/dbraw/zinc/73/02/78/396730278.db2.gz SVRHNZZURZSZDB-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326736 396730282 /nfs/dbraw/zinc/73/02/82/396730282.db2.gz SVRHNZZURZSZDB-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326736 396730287 /nfs/dbraw/zinc/73/02/87/396730287.db2.gz SVRHNZZURZSZDB-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326736 396730291 /nfs/dbraw/zinc/73/02/91/396730291.db2.gz SVRHNZZURZSZDB-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000612030334 396983758 /nfs/dbraw/zinc/98/37/58/396983758.db2.gz CWRAXSFRDAWKBT-RWMBFGLXSA-N 2 1 307.350 0.486 20 5 DCBDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317523 397156102 /nfs/dbraw/zinc/15/61/02/397156102.db2.gz LRMFDGTZGXDCEJ-TZMCWYRMSA-N 2 1 311.386 0.474 20 5 DCBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000182966696 416235210 /nfs/dbraw/zinc/23/52/10/416235210.db2.gz HJFHIDZHYDHRFW-UHFFFAOYSA-N 2 1 310.402 0.361 20 5 DCBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000436054533 416546145 /nfs/dbraw/zinc/54/61/45/416546145.db2.gz HQKXJRDBWALGBH-GFCCVEGCSA-N 2 1 324.385 0.111 20 5 DCBDMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000262279311 662294513 /nfs/dbraw/zinc/29/45/13/662294513.db2.gz ZCFQKIPTPSWRLX-UHFFFAOYSA-N 2 1 306.366 0.849 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923329142 667506117 /nfs/dbraw/zinc/50/61/17/667506117.db2.gz PBJWVSFDJNVOTD-NWANDNLSSA-N 2 1 323.397 0.616 20 5 DCBDMP Cc1ccc(CNCC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001656984242 1173899945 /nfs/dbraw/zinc/89/99/45/1173899945.db2.gz DPBZFYNXEQCVSB-UHFFFAOYSA-N 2 1 306.366 0.767 20 5 DCBDMP COc1nc(N2CCC[C@H]([NH+]3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155373442 770481663 /nfs/dbraw/zinc/48/16/63/770481663.db2.gz QNXYDJFTAZJGNT-LBPRGKRZSA-N 2 1 321.381 0.858 20 5 DCBDMP C[NH+](C)C[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566233502 291285749 /nfs/dbraw/zinc/28/57/49/291285749.db2.gz LGMFAYSYKJBYPV-LLVKDONJSA-N 2 1 310.354 0.436 20 5 DCBDMP NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262484730 396146244 /nfs/dbraw/zinc/14/62/44/396146244.db2.gz KHYBAQOKLYAEJG-WCFLWFBJSA-N 2 1 304.350 0.863 20 5 DCBDMP NC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262484730 396146246 /nfs/dbraw/zinc/14/62/46/396146246.db2.gz KHYBAQOKLYAEJG-WCFLWFBJSA-N 2 1 304.350 0.863 20 5 DCBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066780 396523235 /nfs/dbraw/zinc/52/32/35/396523235.db2.gz XHJDQPWIGLBMHF-RISCZKNCSA-N 2 1 322.369 0.583 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603833510 397623293 /nfs/dbraw/zinc/62/32/93/397623293.db2.gz QEMJFDCCPPWEDE-YRGRVCCFSA-N 2 1 307.350 0.486 20 5 DCBDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432847 159208311 /nfs/dbraw/zinc/20/83/11/159208311.db2.gz DBAJHMTZHUZJLP-GXTWGEPZSA-N 2 1 311.386 0.568 20 5 DCBDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432847 159208312 /nfs/dbraw/zinc/20/83/12/159208312.db2.gz DBAJHMTZHUZJLP-GXTWGEPZSA-N 2 1 311.386 0.568 20 5 DCBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349113 262370208 /nfs/dbraw/zinc/37/02/08/262370208.db2.gz NUJHAQPEARCJDE-OAHLLOKOSA-N 2 1 320.393 0.953 20 5 DCBDMP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255265 /nfs/dbraw/zinc/25/52/65/669255265.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 2 1 309.370 0.321 20 5 DCBDMP CN1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255266 /nfs/dbraw/zinc/25/52/66/669255266.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 2 1 309.370 0.321 20 5 DCBDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530108 /nfs/dbraw/zinc/53/01/08/669530108.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 2 1 309.370 0.036 20 5 DCBDMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530112 /nfs/dbraw/zinc/53/01/12/669530112.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530116 /nfs/dbraw/zinc/53/01/16/669530116.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530119 /nfs/dbraw/zinc/53/01/19/669530119.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH2+]C[C@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381889 416803010 /nfs/dbraw/zinc/80/30/10/416803010.db2.gz PBPVYCYBCDCLDA-RISCZKNCSA-N 2 1 309.370 0.446 20 5 DCBDMP C[NH2+]C[C@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381889 416803017 /nfs/dbraw/zinc/80/30/17/416803017.db2.gz PBPVYCYBCDCLDA-RISCZKNCSA-N 2 1 309.370 0.446 20 5 DCBDMP CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923336199 667510179 /nfs/dbraw/zinc/51/01/79/667510179.db2.gz RPHRNVOSKSGRQA-GXTWGEPZSA-N 2 1 311.386 0.616 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520607 1159057465 /nfs/dbraw/zinc/05/74/65/1159057465.db2.gz YFICNNIKCZEFMH-FRRDWIJNSA-N 2 1 311.386 0.471 20 5 DCBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790822 396084097 /nfs/dbraw/zinc/08/40/97/396084097.db2.gz LDYQZUZGICDJAU-SNPRPXQTSA-N 2 1 323.397 0.568 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000316757124 396797406 /nfs/dbraw/zinc/79/74/06/396797406.db2.gz JUMMEQRJXASWCQ-MBNYWOFBSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000584465016 337346742 /nfs/dbraw/zinc/34/67/42/337346742.db2.gz PEQIGCLYGKOJMU-AWEZNQCLSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426227 667531006 /nfs/dbraw/zinc/53/10/06/667531006.db2.gz LTTLXWKFGMSZCE-CYBMUJFWSA-N 2 1 309.370 0.370 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426227 667531008 /nfs/dbraw/zinc/53/10/08/667531008.db2.gz LTTLXWKFGMSZCE-CYBMUJFWSA-N 2 1 309.370 0.370 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000923425775 667531055 /nfs/dbraw/zinc/53/10/55/667531055.db2.gz MTWVIPCDSHBDAM-JGGQBBKZSA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000923425775 667531056 /nfs/dbraw/zinc/53/10/56/667531056.db2.gz MTWVIPCDSHBDAM-JGGQBBKZSA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CC[NH2+]CC2)O1 ZINC001576807233 1164470328 /nfs/dbraw/zinc/47/03/28/1164470328.db2.gz OJUAPCQOBIZDKN-LBPRGKRZSA-N 2 1 309.370 0.634 20 5 DCBDMP [NH3+]C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230060 1165542522 /nfs/dbraw/zinc/54/25/22/1165542522.db2.gz XWKVGZXWVWQAKX-UONOGXRCSA-N 2 1 311.386 0.649 20 5 DCBDMP Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526304 762951763 /nfs/dbraw/zinc/95/17/63/762951763.db2.gz ABOVHKAAKRKRIT-UHFFFAOYSA-N 2 1 324.385 0.018 20 5 DCBDMP Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526304 762951770 /nfs/dbraw/zinc/95/17/70/762951770.db2.gz ABOVHKAAKRKRIT-UHFFFAOYSA-N 2 1 324.385 0.018 20 5 DCBDMP C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001157283338 771576353 /nfs/dbraw/zinc/57/63/53/771576353.db2.gz URAWBUFLAYUAKZ-GWCFXTLKSA-N 2 1 318.381 0.602 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485167 952543983 /nfs/dbraw/zinc/54/39/83/952543983.db2.gz KVYIAANPIXSRJU-BFHYXJOUSA-N 2 1 323.397 0.615 20 5 DCBDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001336728975 952757952 /nfs/dbraw/zinc/75/79/52/952757952.db2.gz VLHDSARQEKWVLU-ZDUSSCGKSA-N 2 1 322.369 0.762 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419444 396663460 /nfs/dbraw/zinc/66/34/60/396663460.db2.gz HKWXDSMMDZARBV-SNPRPXQTSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419444 396663463 /nfs/dbraw/zinc/66/34/63/396663463.db2.gz HKWXDSMMDZARBV-SNPRPXQTSA-N 2 1 323.397 0.975 20 5 DCBDMP O=[N+]([O-])c1ccn(CC[N@@H+]2CC[NH2+]CCC23CCOCC3)n1 ZINC000903817814 663485608 /nfs/dbraw/zinc/48/56/08/663485608.db2.gz KLQOYKLSJKNWGI-UHFFFAOYSA-N 2 1 309.370 0.636 20 5 DCBDMP O=[N+]([O-])c1ccn(CC[N@H+]2CC[NH2+]CCC23CCOCC3)n1 ZINC000903817814 663485609 /nfs/dbraw/zinc/48/56/09/663485609.db2.gz KLQOYKLSJKNWGI-UHFFFAOYSA-N 2 1 309.370 0.636 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291464 667493701 /nfs/dbraw/zinc/49/37/01/667493701.db2.gz STJNHPNSQALURI-GXTWGEPZSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291464 667493703 /nfs/dbraw/zinc/49/37/03/667493703.db2.gz STJNHPNSQALURI-GXTWGEPZSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923363583 667515902 /nfs/dbraw/zinc/51/59/02/667515902.db2.gz CWHVBEWVWZJLSX-NWANDNLSSA-N 2 1 323.397 0.616 20 5 DCBDMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001578523544 1165040866 /nfs/dbraw/zinc/04/08/66/1165040866.db2.gz MNAINYPOYLVXQC-PJODQICGSA-N 2 1 318.377 0.931 20 5 DCBDMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001578523544 1165040875 /nfs/dbraw/zinc/04/08/75/1165040875.db2.gz MNAINYPOYLVXQC-PJODQICGSA-N 2 1 318.377 0.931 20 5 DCBDMP COc1cc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160510796 772053596 /nfs/dbraw/zinc/05/35/96/772053596.db2.gz KGGUEQDIILNVIS-CQSZACIVSA-N 2 1 307.354 0.833 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000315438633 291253294 /nfs/dbraw/zinc/25/32/94/291253294.db2.gz YWZKVIKTYIWPAF-RDBSUJKOSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000315438633 291253296 /nfs/dbraw/zinc/25/32/96/291253296.db2.gz YWZKVIKTYIWPAF-RDBSUJKOSA-N 2 1 309.370 0.369 20 5 DCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000262023213 396091616 /nfs/dbraw/zinc/09/16/16/396091616.db2.gz XVOQZDZOFNBYGN-ZDUSSCGKSA-N 2 1 306.366 0.882 20 5 DCBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317521 397155389 /nfs/dbraw/zinc/15/53/89/397155389.db2.gz LRMFDGTZGXDCEJ-JSGCOSHPSA-N 2 1 311.386 0.474 20 5 DCBDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432860 159208287 /nfs/dbraw/zinc/20/82/87/159208287.db2.gz DBAJHMTZHUZJLP-OCCSQVGLSA-N 2 1 311.386 0.568 20 5 DCBDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432860 159208290 /nfs/dbraw/zinc/20/82/90/159208290.db2.gz DBAJHMTZHUZJLP-OCCSQVGLSA-N 2 1 311.386 0.568 20 5 DCBDMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502706 416516737 /nfs/dbraw/zinc/51/67/37/416516737.db2.gz FGVQDTPVOCYKER-MGPQQGTHSA-N 2 1 322.413 0.768 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428785 667531576 /nfs/dbraw/zinc/53/15/76/667531576.db2.gz RFWVQJMLASWNQK-LSDHHAIUSA-N 2 1 323.397 0.618 20 5 DCBDMP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309638 669176706 /nfs/dbraw/zinc/17/67/06/669176706.db2.gz FFJORIVZQXHPPC-RRFJBIMHSA-N 2 1 323.397 0.426 20 5 DCBDMP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000785870534 669279944 /nfs/dbraw/zinc/27/99/44/669279944.db2.gz RKTFKEQVZWABCY-AWEZNQCLSA-N 2 1 323.397 0.885 20 5 DCBDMP O=[N+]([O-])c1cnc(N2CCc3[nH+]ccn3CC2)nc1C1C[NH2+]C1 ZINC001167182532 747011982 /nfs/dbraw/zinc/01/19/82/747011982.db2.gz ZEWVJMXNZBOWLE-UHFFFAOYSA-N 2 1 315.337 0.331 20 5 DCBDMP COC(=O)c1cc(C)nc(NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167880286 748459716 /nfs/dbraw/zinc/45/97/16/748459716.db2.gz GCGVZDFTTPFGSZ-UHFFFAOYSA-N 2 1 324.341 0.760 20 5 DCBDMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC001335414588 952534183 /nfs/dbraw/zinc/53/41/83/952534183.db2.gz ZDEFCLKCZZLWEZ-AWEZNQCLSA-N 2 1 308.382 0.142 20 5 DCBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307520 395945950 /nfs/dbraw/zinc/94/59/50/395945950.db2.gz VSYGPHVHZWVGEK-CQSZACIVSA-N 2 1 322.369 0.679 20 5 DCBDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307520 395945951 /nfs/dbraw/zinc/94/59/51/395945951.db2.gz VSYGPHVHZWVGEK-CQSZACIVSA-N 2 1 322.369 0.679 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000316757130 396797830 /nfs/dbraw/zinc/79/78/30/396797830.db2.gz JUMMEQRJXASWCQ-SGMGOOAPSA-N 2 1 309.370 0.369 20 5 DCBDMP C[NH+]1CCN(C(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602542452 397435038 /nfs/dbraw/zinc/43/50/38/397435038.db2.gz XQNCZCSTQRYTHT-UHFFFAOYSA-N 2 1 320.393 0.891 20 5 DCBDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578618616 397460128 /nfs/dbraw/zinc/46/01/28/397460128.db2.gz JJMGFXLVIDWDTM-ZDUSSCGKSA-N 2 1 308.342 0.337 20 5 DCBDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026319 416139275 /nfs/dbraw/zinc/13/92/75/416139275.db2.gz BMUJUQBWSGXSDH-AWEZNQCLSA-N 2 1 322.413 0.503 20 5 DCBDMP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000584049417 416494294 /nfs/dbraw/zinc/49/42/94/416494294.db2.gz ZPLBTHOBBXEQCK-FZMZJTMJSA-N 2 1 309.370 0.392 20 5 DCBDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526699 417007565 /nfs/dbraw/zinc/00/75/65/417007565.db2.gz DUYCFPIPOMWGMH-UPJWGTAASA-N 2 1 311.386 0.787 20 5 DCBDMP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923465728 667537855 /nfs/dbraw/zinc/53/78/55/667537855.db2.gz KISHUNDYQRVYPQ-GFCCVEGCSA-N 2 1 321.381 0.417 20 5 DCBDMP COc1cc(N[C@@]2(C[NH3+])C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160510795 772053797 /nfs/dbraw/zinc/05/37/97/772053797.db2.gz KGGUEQDIILNVIS-AWEZNQCLSA-N 2 1 307.354 0.833 20 5 DCBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066778 396523094 /nfs/dbraw/zinc/52/30/94/396523094.db2.gz XHJDQPWIGLBMHF-BXUZGUMPSA-N 2 1 322.369 0.583 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422347 396663585 /nfs/dbraw/zinc/66/35/85/396663585.db2.gz RIVLXNHMWFWYAS-RDBSUJKOSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422347 396663586 /nfs/dbraw/zinc/66/35/86/396663586.db2.gz RIVLXNHMWFWYAS-RDBSUJKOSA-N 2 1 323.397 0.975 20 5 DCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[NH+](C)C1 ZINC000304321528 261174012 /nfs/dbraw/zinc/17/40/12/261174012.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@H+](C)C1 ZINC000304321528 261174021 /nfs/dbraw/zinc/17/40/21/261174021.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000304321528 261174023 /nfs/dbraw/zinc/17/40/23/261174023.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 2 1 311.386 0.426 20 5 DCBDMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382684 667521733 /nfs/dbraw/zinc/52/17/33/667521733.db2.gz DWXSPZWFMKGIEV-TZMCWYRMSA-N 2 1 323.397 0.616 20 5 DCBDMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309637 669176104 /nfs/dbraw/zinc/17/61/04/669176104.db2.gz FFJORIVZQXHPPC-RBSFLKMASA-N 2 1 323.397 0.426 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435764 669203791 /nfs/dbraw/zinc/20/37/91/669203791.db2.gz NQFGNHHLYGTZIT-MBNYWOFBSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435764 669203794 /nfs/dbraw/zinc/20/37/94/669203794.db2.gz NQFGNHHLYGTZIT-MBNYWOFBSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435764 669203796 /nfs/dbraw/zinc/20/37/96/669203796.db2.gz NQFGNHHLYGTZIT-MBNYWOFBSA-N 2 1 309.370 0.036 20 5 DCBDMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001578523542 1165040258 /nfs/dbraw/zinc/04/02/58/1165040258.db2.gz MNAINYPOYLVXQC-HZUKXOBISA-N 2 1 318.377 0.931 20 5 DCBDMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1 ZINC001578523542 1165040263 /nfs/dbraw/zinc/04/02/63/1165040263.db2.gz MNAINYPOYLVXQC-HZUKXOBISA-N 2 1 318.377 0.931 20 5 DCBDMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167191 1165525084 /nfs/dbraw/zinc/52/50/84/1165525084.db2.gz VLMIKXQALVEYKT-KBUPBQIOSA-N 2 1 321.377 0.849 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000612030333 396983559 /nfs/dbraw/zinc/98/35/59/396983559.db2.gz CWRAXSFRDAWKBT-JHJVBQTASA-N 2 1 307.350 0.486 20 5 DCBDMP C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000584049418 416495343 /nfs/dbraw/zinc/49/53/43/416495343.db2.gz ZPLBTHOBBXEQCK-RISCZKNCSA-N 2 1 309.370 0.392 20 5 DCBDMP COc1nc(NC(=[NH2+])NCCCC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001157096351 771533165 /nfs/dbraw/zinc/53/31/65/771533165.db2.gz HLKNMXOLKRKVKZ-UHFFFAOYSA-N 2 1 313.318 0.077 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N2C[C@@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158765726 771819257 /nfs/dbraw/zinc/81/92/57/771819257.db2.gz JHJCJYVDAGFABY-ITDFMYJTSA-N 2 1 319.365 0.686 20 5 DCBDMP C[NH+](C)/C=C/c1cc(-n2cc(C[NH3+])cnc2=N)ncc1[N+](=O)[O-] ZINC001161418089 772221200 /nfs/dbraw/zinc/22/12/00/772221200.db2.gz IOKNAKZNXDNLBQ-JAWWOKHWSA-N 2 1 315.337 0.646 20 5 DCBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1)CC2 ZINC001246493927 945419735 /nfs/dbraw/zinc/41/97/35/945419735.db2.gz GTLSNDDKBYGNQH-LSDHHAIUSA-N 2 1 304.394 0.993 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485169 952543625 /nfs/dbraw/zinc/54/36/25/952543625.db2.gz KVYIAANPIXSRJU-MELADBBJSA-N 2 1 323.397 0.615 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000315438631 291253437 /nfs/dbraw/zinc/25/34/37/291253437.db2.gz YWZKVIKTYIWPAF-MCIONIFRSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000315438631 291253438 /nfs/dbraw/zinc/25/34/38/291253438.db2.gz YWZKVIKTYIWPAF-MCIONIFRSA-N 2 1 309.370 0.369 20 5 DCBDMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084290 /nfs/dbraw/zinc/08/42/90/396084290.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 2 1 323.397 0.568 20 5 DCBDMP CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000923327353 667509596 /nfs/dbraw/zinc/50/95/96/667509596.db2.gz OTLNKSANGAFCDQ-AWEZNQCLSA-N 2 1 311.386 0.616 20 5 DCBDMP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC[NH2+]CC1 ZINC000923466222 667537615 /nfs/dbraw/zinc/53/76/15/667537615.db2.gz KGQIPCVUGZDTTP-LBPRGKRZSA-N 2 1 321.381 0.417 20 5 DCBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]CC[NH2+]CC1 ZINC000923465731 667537889 /nfs/dbraw/zinc/53/78/89/667537889.db2.gz KLNMKXQIHNUYIZ-UHFFFAOYSA-N 2 1 321.381 0.337 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515626 667551624 /nfs/dbraw/zinc/55/16/24/667551624.db2.gz IRRMNLXUZZBHQF-BFHYXJOUSA-N 2 1 321.377 0.876 20 5 DCBDMP C[NH+](C)CCN1CC[N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040099 760556179 /nfs/dbraw/zinc/55/61/79/760556179.db2.gz XWQZSGMVNYZUMJ-KGLIPLIRSA-N 2 1 312.414 0.528 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159679023 771943755 /nfs/dbraw/zinc/94/37/55/771943755.db2.gz AUSGIUXHUSLPQU-LXYZTQFVSA-N 2 1 307.354 0.514 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290402 667496916 /nfs/dbraw/zinc/49/69/16/667496916.db2.gz MVLKTVKXAJSEIQ-CHWSQXEVSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290402 667496918 /nfs/dbraw/zinc/49/69/18/667496918.db2.gz MVLKTVKXAJSEIQ-CHWSQXEVSA-N 2 1 309.366 0.876 20 5 DCBDMP Cc1[nH+]cc2n1CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001165387432 772730976 /nfs/dbraw/zinc/73/09/76/772730976.db2.gz NTGPZFLWTLMPMS-UHFFFAOYSA-N 2 1 315.337 0.597 20 5 DCBDMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000262003175 396089402 /nfs/dbraw/zinc/08/94/02/396089402.db2.gz VLJWKYMHJOIASL-ZDUSSCGKSA-N 2 1 306.366 0.882 20 5 DCBDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619269 /nfs/dbraw/zinc/61/92/69/396619269.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619273 /nfs/dbraw/zinc/61/92/73/396619273.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619278 /nfs/dbraw/zinc/61/92/78/396619278.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619281 /nfs/dbraw/zinc/61/92/81/396619281.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000304287185 396729074 /nfs/dbraw/zinc/72/90/74/396729074.db2.gz BBGXLUFHBKKQLX-HIFRSBDPSA-N 2 1 323.397 0.570 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000304287185 396729079 /nfs/dbraw/zinc/72/90/79/396729079.db2.gz BBGXLUFHBKKQLX-HIFRSBDPSA-N 2 1 323.397 0.570 20 5 DCBDMP C[N@H+](CCOCC[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600734238 396933059 /nfs/dbraw/zinc/93/30/59/396933059.db2.gz GUFADUDDCOFTQB-AWEZNQCLSA-N 2 1 322.365 0.607 20 5 DCBDMP C[N@@H+](CCOCC[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600734238 396933061 /nfs/dbraw/zinc/93/30/61/396933061.db2.gz GUFADUDDCOFTQB-AWEZNQCLSA-N 2 1 322.365 0.607 20 5 DCBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592472269 397185943 /nfs/dbraw/zinc/18/59/43/397185943.db2.gz QOOALTOCOYFECI-UHFFFAOYSA-N 2 1 308.382 0.811 20 5 DCBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366280 667517319 /nfs/dbraw/zinc/51/73/19/667517319.db2.gz JHCWCTWJMSWQSA-HOTGVXAUSA-N 2 1 320.393 0.608 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923368009 667517935 /nfs/dbraw/zinc/51/79/35/667517935.db2.gz ZKPGNWJKGJNFOE-KGLIPLIRSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923368009 667517938 /nfs/dbraw/zinc/51/79/38/667517938.db2.gz ZKPGNWJKGJNFOE-KGLIPLIRSA-N 2 1 309.370 0.228 20 5 DCBDMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573508 669065076 /nfs/dbraw/zinc/06/50/76/669065076.db2.gz OYCHQGMXAHRLJN-XBFCOCLRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573508 669065079 /nfs/dbraw/zinc/06/50/79/669065079.db2.gz OYCHQGMXAHRLJN-XBFCOCLRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573508 669065085 /nfs/dbraw/zinc/06/50/85/669065085.db2.gz OYCHQGMXAHRLJN-XBFCOCLRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573508 669065091 /nfs/dbraw/zinc/06/50/91/669065091.db2.gz OYCHQGMXAHRLJN-XBFCOCLRSA-N 2 1 309.370 0.178 20 5 DCBDMP C[N@H+]1CCc2c(NC[C@H]3COCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001170048115 761690244 /nfs/dbraw/zinc/69/02/44/761690244.db2.gz VPIUOVZXCPCXIM-NSHDSACASA-N 2 1 306.366 0.983 20 5 DCBDMP C[N@@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]2C1 ZINC001165151500 772701728 /nfs/dbraw/zinc/70/17/28/772701728.db2.gz SCEXWJIOUWTMRA-PHIMTYICSA-N 2 1 304.354 0.069 20 5 DCBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CC[NH2+]CC1 ZINC000592471997 397186007 /nfs/dbraw/zinc/18/60/07/397186007.db2.gz CBICBQIGGFMGKG-UHFFFAOYSA-N 2 1 308.382 0.811 20 5 DCBDMP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594498269 397563117 /nfs/dbraw/zinc/56/31/17/397563117.db2.gz IWIFUWIBBOXINT-ZDUSSCGKSA-N 2 1 309.370 0.634 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291466 667493832 /nfs/dbraw/zinc/49/38/32/667493832.db2.gz STJNHPNSQALURI-JSGCOSHPSA-N 2 1 309.366 0.876 20 5 DCBDMP C[NH2+]C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291466 667493833 /nfs/dbraw/zinc/49/38/33/667493833.db2.gz STJNHPNSQALURI-JSGCOSHPSA-N 2 1 309.366 0.876 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515627 667551884 /nfs/dbraw/zinc/55/18/84/667551884.db2.gz IRRMNLXUZZBHQF-MJBXVCDLSA-N 2 1 321.377 0.876 20 5 DCBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636507 719257919 /nfs/dbraw/zinc/25/79/19/719257919.db2.gz TYIOLQJKBUAANP-VHSXEESVSA-N 2 1 306.370 0.600 20 5 DCBDMP CC[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C(C)(C)C1 ZINC001158569810 771791533 /nfs/dbraw/zinc/79/15/33/771791533.db2.gz YXYBHGFMVKKUBM-UHFFFAOYSA-N 2 1 320.397 0.992 20 5 DCBDMP C[N@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160969489 772144274 /nfs/dbraw/zinc/14/42/74/772144274.db2.gz ZKCVUUCRNDQTDU-LLVKDONJSA-N 2 1 306.370 0.968 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001339911977 953130218 /nfs/dbraw/zinc/13/02/18/953130218.db2.gz AWPZUWDKPUXUCC-CQSZACIVSA-N 2 1 323.397 0.618 20 5 DCBDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084895 /nfs/dbraw/zinc/08/48/95/253084895.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084896 /nfs/dbraw/zinc/08/48/96/253084896.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084898 /nfs/dbraw/zinc/08/48/98/253084898.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422341 396663528 /nfs/dbraw/zinc/66/35/28/396663528.db2.gz RIVLXNHMWFWYAS-HZSPNIEDSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000374422341 396663529 /nfs/dbraw/zinc/66/35/29/396663529.db2.gz RIVLXNHMWFWYAS-HZSPNIEDSA-N 2 1 323.397 0.975 20 5 DCBDMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326742 396729832 /nfs/dbraw/zinc/72/98/32/396729832.db2.gz SVRHNZZURZSZDB-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326742 396729835 /nfs/dbraw/zinc/72/98/35/396729835.db2.gz SVRHNZZURZSZDB-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326742 396729837 /nfs/dbraw/zinc/72/98/37/396729837.db2.gz SVRHNZZURZSZDB-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326742 396729838 /nfs/dbraw/zinc/72/98/38/396729838.db2.gz SVRHNZZURZSZDB-TZMCWYRMSA-N 2 1 311.386 0.426 20 5 DCBDMP CN(C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365882 415149661 /nfs/dbraw/zinc/14/96/61/415149661.db2.gz YFEKVWWBJDGCOK-CQSZACIVSA-N 2 1 323.397 0.883 20 5 DCBDMP CN(CC[N@@H+](C)CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](C)CC1 ZINC000089269229 415523024 /nfs/dbraw/zinc/52/30/24/415523024.db2.gz IYCDPXQJKSRATE-UHFFFAOYSA-N 2 1 324.429 0.749 20 5 DCBDMP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@@H+](C)CC1 ZINC000584049419 416495987 /nfs/dbraw/zinc/49/59/87/416495987.db2.gz ZPLBTHOBBXEQCK-SMDDNHRTSA-N 2 1 309.370 0.392 20 5 DCBDMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381892 416801384 /nfs/dbraw/zinc/80/13/84/416801384.db2.gz PBPVYCYBCDCLDA-SMDDNHRTSA-N 2 1 309.370 0.446 20 5 DCBDMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381892 416801389 /nfs/dbraw/zinc/80/13/89/416801389.db2.gz PBPVYCYBCDCLDA-SMDDNHRTSA-N 2 1 309.370 0.446 20 5 DCBDMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526697 417006376 /nfs/dbraw/zinc/00/63/76/417006376.db2.gz DUYCFPIPOMWGMH-JHJVBQTASA-N 2 1 311.386 0.787 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923361879 667519377 /nfs/dbraw/zinc/51/93/77/667519377.db2.gz IGUVWMDZGRSAFJ-VNHYZAJKSA-N 2 1 323.397 0.474 20 5 DCBDMP O=C(CN1CC[NH2+]CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000923465444 667537903 /nfs/dbraw/zinc/53/79/03/667537903.db2.gz DPOFSCJZABXRFO-UHFFFAOYSA-N 2 1 307.354 0.028 20 5 DCBDMP C[NH+](C)C[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566233503 291285778 /nfs/dbraw/zinc/28/57/78/291285778.db2.gz LGMFAYSYKJBYPV-NSHDSACASA-N 2 1 310.354 0.436 20 5 DCBDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085250 /nfs/dbraw/zinc/08/52/50/253085250.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085252 /nfs/dbraw/zinc/08/52/52/253085252.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085254 /nfs/dbraw/zinc/08/52/54/253085254.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 2 1 323.397 0.570 20 5 DCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000262023209 396090531 /nfs/dbraw/zinc/09/05/31/396090531.db2.gz XVOQZDZOFNBYGN-CYBMUJFWSA-N 2 1 306.366 0.882 20 5 DCBDMP CC[N@@H+](C)C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420137 397057647 /nfs/dbraw/zinc/05/76/47/397057647.db2.gz MEKGSIVPOQOVSV-TZMCWYRMSA-N 2 1 323.397 0.789 20 5 DCBDMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679708 415185084 /nfs/dbraw/zinc/18/50/84/415185084.db2.gz VXAHFHONRWYMJX-YDHLFZDLSA-N 2 1 323.397 0.931 20 5 DCBDMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679708 415185091 /nfs/dbraw/zinc/18/50/91/415185091.db2.gz VXAHFHONRWYMJX-YDHLFZDLSA-N 2 1 323.397 0.931 20 5 DCBDMP O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000174875706 416089113 /nfs/dbraw/zinc/08/91/13/416089113.db2.gz NZMNXVMMKZXNHY-ZDUSSCGKSA-N 2 1 309.370 0.445 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923361870 667519555 /nfs/dbraw/zinc/51/95/55/667519555.db2.gz IGUVWMDZGRSAFJ-GZBFAFLISA-N 2 1 323.397 0.474 20 5 DCBDMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839689708 668130860 /nfs/dbraw/zinc/13/08/60/668130860.db2.gz RKGMEWIUJBVRGS-CHWSQXEVSA-N 2 1 300.403 0.384 20 5 DCBDMP C[C@]([NH3+])(C(=O)NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576081191 1164233008 /nfs/dbraw/zinc/23/30/08/1164233008.db2.gz KLUDDURPKPBFFQ-OAHLLOKOSA-N 2 1 306.366 0.981 20 5 DCBDMP Cc1[nH+]c(N)ccc1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156986522 770990587 /nfs/dbraw/zinc/99/05/87/770990587.db2.gz YRFHJRWURJVLPD-UHFFFAOYSA-N 2 1 315.337 0.969 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419443 396663478 /nfs/dbraw/zinc/66/34/78/396663478.db2.gz HKWXDSMMDZARBV-BPLDGKMQSA-N 2 1 323.397 0.975 20 5 DCBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374419443 396663480 /nfs/dbraw/zinc/66/34/80/396663480.db2.gz HKWXDSMMDZARBV-BPLDGKMQSA-N 2 1 323.397 0.975 20 5 DCBDMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261818060 158741780 /nfs/dbraw/zinc/74/17/80/158741780.db2.gz WJBPGROUCABOFS-CQSZACIVSA-N 2 1 320.393 0.924 20 5 DCBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348160 287293902 /nfs/dbraw/zinc/29/39/02/287293902.db2.gz JXLJCFUQXQIASU-OAHLLOKOSA-N 2 1 320.393 0.953 20 5 DCBDMP O=[N+]([O-])c1ccccc1OCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352520086 415205824 /nfs/dbraw/zinc/20/58/24/415205824.db2.gz VAZGNQJPDUIAGX-AWEZNQCLSA-N 2 1 320.393 0.953 20 5 DCBDMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381884 416800835 /nfs/dbraw/zinc/80/08/35/416800835.db2.gz PBPVYCYBCDCLDA-BXUZGUMPSA-N 2 1 309.370 0.446 20 5 DCBDMP C[NH2+]C[C@@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381884 416800840 /nfs/dbraw/zinc/80/08/40/416800840.db2.gz PBPVYCYBCDCLDA-BXUZGUMPSA-N 2 1 309.370 0.446 20 5 DCBDMP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489692 416986235 /nfs/dbraw/zinc/98/62/35/416986235.db2.gz BTLZWKFIQPWBOP-ZIAGYGMSSA-N 2 1 304.350 0.381 20 5 DCBDMP [NH3+][C@@H]1C[C@@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489692 416986243 /nfs/dbraw/zinc/98/62/43/416986243.db2.gz BTLZWKFIQPWBOP-ZIAGYGMSSA-N 2 1 304.350 0.381 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923361873 667519523 /nfs/dbraw/zinc/51/95/23/667519523.db2.gz IGUVWMDZGRSAFJ-KCQAQPDRSA-N 2 1 323.397 0.474 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520609 1159057491 /nfs/dbraw/zinc/05/74/91/1159057491.db2.gz YFICNNIKCZEFMH-RWMBFGLXSA-N 2 1 311.386 0.471 20 5 DCBDMP [NH3+][C@H]1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167192 1165524810 /nfs/dbraw/zinc/52/48/10/1165524810.db2.gz VLMIKXQALVEYKT-LXTVHRRPSA-N 2 1 321.377 0.849 20 5 DCBDMP Nc1nc(N2CCC[C@@H]([NH+]3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155375474 770481593 /nfs/dbraw/zinc/48/15/93/770481593.db2.gz FDYMGQLRBWVFRW-LLVKDONJSA-N 2 1 306.370 0.431 20 5 DCBDMP COC(=O)c1ccc([N+](=O)[O-])c(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001157101481 771535859 /nfs/dbraw/zinc/53/58/59/771535859.db2.gz IRRPOTARUVIGAA-UHFFFAOYSA-N 2 1 310.314 0.452 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833508 397623444 /nfs/dbraw/zinc/62/34/44/397623444.db2.gz QEMJFDCCPPWEDE-SCRDCRAPSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833508 397623445 /nfs/dbraw/zinc/62/34/45/397623445.db2.gz QEMJFDCCPPWEDE-SCRDCRAPSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923368011 667517957 /nfs/dbraw/zinc/51/79/57/667517957.db2.gz ZKPGNWJKGJNFOE-UONOGXRCSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923368011 667517958 /nfs/dbraw/zinc/51/79/58/667517958.db2.gz ZKPGNWJKGJNFOE-UONOGXRCSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923415175 667530373 /nfs/dbraw/zinc/53/03/73/667530373.db2.gz QLYYKJGUPVXDJZ-YUTCNCBUSA-N 2 1 309.370 0.226 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000877022232 668553682 /nfs/dbraw/zinc/55/36/82/668553682.db2.gz QUPGREFVADXGBH-PQNSMMMDSA-N 2 1 321.381 0.948 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000877022232 668553683 /nfs/dbraw/zinc/55/36/83/668553683.db2.gz QUPGREFVADXGBH-PQNSMMMDSA-N 2 1 321.381 0.948 20 5 DCBDMP Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351689 760948827 /nfs/dbraw/zinc/94/88/27/760948827.db2.gz MRLSHJAASKLTHY-UHFFFAOYSA-N 2 1 324.385 0.018 20 5 DCBDMP C[N@H+]1CCc2c(NC[C@@H]3COCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001170048114 761690683 /nfs/dbraw/zinc/69/06/83/761690683.db2.gz VPIUOVZXCPCXIM-LLVKDONJSA-N 2 1 306.366 0.983 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N2C[C@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158765727 771819250 /nfs/dbraw/zinc/81/92/50/771819250.db2.gz JHJCJYVDAGFABY-OOPCZODUSA-N 2 1 319.365 0.686 20 5 DCBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307473 395945991 /nfs/dbraw/zinc/94/59/91/395945991.db2.gz VSYGPHVHZWVGEK-AWEZNQCLSA-N 2 1 322.369 0.679 20 5 DCBDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307473 395945993 /nfs/dbraw/zinc/94/59/93/395945993.db2.gz VSYGPHVHZWVGEK-AWEZNQCLSA-N 2 1 322.369 0.679 20 5 DCBDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008304 396692951 /nfs/dbraw/zinc/69/29/51/396692951.db2.gz UUJAGZBZMOLZCM-TZMCWYRMSA-N 2 1 311.386 0.474 20 5 DCBDMP CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000923327356 667509494 /nfs/dbraw/zinc/50/94/94/667509494.db2.gz OTLNKSANGAFCDQ-CQSZACIVSA-N 2 1 311.386 0.616 20 5 DCBDMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382680 667521719 /nfs/dbraw/zinc/52/17/19/667521719.db2.gz DWXSPZWFMKGIEV-OCCSQVGLSA-N 2 1 323.397 0.616 20 5 DCBDMP [NH3+][C@@H]1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167189 1165524694 /nfs/dbraw/zinc/52/46/94/1165524694.db2.gz VLMIKXQALVEYKT-APIJFGDWSA-N 2 1 321.377 0.849 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000315438632 291253270 /nfs/dbraw/zinc/25/32/70/291253270.db2.gz YWZKVIKTYIWPAF-MGPQQGTHSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000315438632 291253272 /nfs/dbraw/zinc/25/32/72/291253272.db2.gz YWZKVIKTYIWPAF-MGPQQGTHSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000315438630 291253565 /nfs/dbraw/zinc/25/35/65/291253565.db2.gz YWZKVIKTYIWPAF-HZSPNIEDSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000315438630 291253566 /nfs/dbraw/zinc/25/35/66/291253566.db2.gz YWZKVIKTYIWPAF-HZSPNIEDSA-N 2 1 309.370 0.369 20 5 DCBDMP O=[N+]([O-])c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cn1 ZINC000567899687 291389354 /nfs/dbraw/zinc/38/93/54/291389354.db2.gz PESNGVJKDWVALF-UHFFFAOYSA-N 2 1 320.397 0.017 20 5 DCBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008301 396693228 /nfs/dbraw/zinc/69/32/28/396693228.db2.gz UUJAGZBZMOLZCM-GXTWGEPZSA-N 2 1 311.386 0.474 20 5 DCBDMP C[N@@H+](CCOCC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600733774 396933640 /nfs/dbraw/zinc/93/36/40/396933640.db2.gz CUPOHATZUXFQSW-UHFFFAOYSA-N 2 1 310.354 0.831 20 5 DCBDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317520 397155299 /nfs/dbraw/zinc/15/52/99/397155299.db2.gz LRMFDGTZGXDCEJ-GXTWGEPZSA-N 2 1 311.386 0.474 20 5 DCBDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000436058999 416548278 /nfs/dbraw/zinc/54/82/78/416548278.db2.gz JQJFHWOSFWNIBE-GFCCVEGCSA-N 2 1 324.385 0.111 20 5 DCBDMP Cc1nc(CC[NH3+])nn1-c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001158132735 771729492 /nfs/dbraw/zinc/72/94/92/771729492.db2.gz PULJEVPWZNKFLP-FNORWQNLSA-N 2 1 317.353 0.912 20 5 DCBDMP [NH3+][C@@H]1C[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489691 416988822 /nfs/dbraw/zinc/98/88/22/416988822.db2.gz BTLZWKFIQPWBOP-UONOGXRCSA-N 2 1 304.350 0.381 20 5 DCBDMP [NH3+][C@@H]1C[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489691 416988829 /nfs/dbraw/zinc/98/88/29/416988829.db2.gz BTLZWKFIQPWBOP-UONOGXRCSA-N 2 1 304.350 0.381 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000584465017 337346673 /nfs/dbraw/zinc/34/66/73/337346673.db2.gz PEQIGCLYGKOJMU-CQSZACIVSA-N 2 1 309.370 0.369 20 5 DCBDMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530069 /nfs/dbraw/zinc/53/00/69/669530069.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 2 1 309.370 0.036 20 5 DCBDMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530076 /nfs/dbraw/zinc/53/00/76/669530076.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530080 /nfs/dbraw/zinc/53/00/80/669530080.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 2 1 309.370 0.036 20 5 DCBDMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530085 /nfs/dbraw/zinc/53/00/85/669530085.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 2 1 309.370 0.036 20 5 DCBDMP CC(C)[N@@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001157021812 771518942 /nfs/dbraw/zinc/51/89/42/771518942.db2.gz QXHUPIAWTHGWFS-LBPRGKRZSA-N 2 1 320.397 0.991 20 5 DCBDMP COC(=O)c1cnc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001157094731 771532964 /nfs/dbraw/zinc/53/29/64/771532964.db2.gz VDFJNKBEQQJEIS-UHFFFAOYSA-N 2 1 310.314 0.452 20 5 DCBDMP COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582359 945436226 /nfs/dbraw/zinc/43/62/26/945436226.db2.gz XALICRNAWAAAKH-ITDIGPHOSA-N 2 1 309.366 0.786 20 5 DCBDMP COc1ccc(C[C@H](C)[N@H+]2C[C@@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582359 945436229 /nfs/dbraw/zinc/43/62/29/945436229.db2.gz XALICRNAWAAAKH-ITDIGPHOSA-N 2 1 309.366 0.786 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612030332 396983951 /nfs/dbraw/zinc/98/39/51/396983951.db2.gz CWRAXSFRDAWKBT-FRRDWIJNSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612030332 396983955 /nfs/dbraw/zinc/98/39/55/396983955.db2.gz CWRAXSFRDAWKBT-FRRDWIJNSA-N 2 1 307.350 0.486 20 5 DCBDMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420389498 287295618 /nfs/dbraw/zinc/29/56/18/287295618.db2.gz MEFQYVRAOACRLL-AWEZNQCLSA-N 2 1 322.365 0.973 20 5 DCBDMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420389498 287295620 /nfs/dbraw/zinc/29/56/20/287295620.db2.gz MEFQYVRAOACRLL-AWEZNQCLSA-N 2 1 322.365 0.973 20 5 DCBDMP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430635977 287349050 /nfs/dbraw/zinc/34/90/50/287349050.db2.gz HZUMHNHRMWZWHG-UHFFFAOYSA-N 2 1 322.365 0.337 20 5 DCBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430635977 287349052 /nfs/dbraw/zinc/34/90/52/287349052.db2.gz HZUMHNHRMWZWHG-UHFFFAOYSA-N 2 1 322.365 0.337 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426229 667531239 /nfs/dbraw/zinc/53/12/39/667531239.db2.gz LTTLXWKFGMSZCE-ZDUSSCGKSA-N 2 1 309.370 0.370 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000923426229 667531243 /nfs/dbraw/zinc/53/12/43/667531243.db2.gz LTTLXWKFGMSZCE-ZDUSSCGKSA-N 2 1 309.370 0.370 20 5 DCBDMP C[N@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000931437079 669203899 /nfs/dbraw/zinc/20/38/99/669203899.db2.gz CZGHWELFQRAAOM-OLZOCXBDSA-N 2 1 306.366 0.640 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000931437079 669203901 /nfs/dbraw/zinc/20/39/01/669203901.db2.gz CZGHWELFQRAAOM-OLZOCXBDSA-N 2 1 306.366 0.640 20 5 DCBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000931437079 669203904 /nfs/dbraw/zinc/20/39/04/669203904.db2.gz CZGHWELFQRAAOM-OLZOCXBDSA-N 2 1 306.366 0.640 20 5 DCBDMP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000785870536 669279906 /nfs/dbraw/zinc/27/99/06/669279906.db2.gz RKTFKEQVZWABCY-CQSZACIVSA-N 2 1 323.397 0.885 20 5 DCBDMP [NH2+]=C(NCCCC[NH3+])Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167878416 748458189 /nfs/dbraw/zinc/45/81/89/748458189.db2.gz QRSZTSWYMGFLDW-UHFFFAOYSA-N 2 1 302.722 0.557 20 5 DCBDMP C[N@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001157283339 771576064 /nfs/dbraw/zinc/57/60/64/771576064.db2.gz URAWBUFLAYUAKZ-GXFFZTMASA-N 2 1 318.381 0.602 20 5 DCBDMP CCc1nc2c(c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1)C[NH2+]C2 ZINC001218224426 774218424 /nfs/dbraw/zinc/21/84/24/774218424.db2.gz YQQRLQFSZRMDOB-SNVBAGLBSA-N 2 1 309.390 0.005 20 5 DCBDMP CC(C)c1[nH+]ccn1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001336728973 952758403 /nfs/dbraw/zinc/75/84/03/952758403.db2.gz VLHDSARQEKWVLU-CYBMUJFWSA-N 2 1 322.369 0.762 20 5 DCBDMP C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273054 955999396 /nfs/dbraw/zinc/99/93/96/955999396.db2.gz MPLIOIQKZYNXFO-TZMCWYRMSA-N 2 1 309.366 0.876 20 5 DCBDMP C[C@H]1CC2(C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382676 667521580 /nfs/dbraw/zinc/52/15/80/667521580.db2.gz DWXSPZWFMKGIEV-JSGCOSHPSA-N 2 1 323.397 0.616 20 5 DCBDMP C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573246 767083586 /nfs/dbraw/zinc/08/35/86/767083586.db2.gz NCHLSWVKRZNEFN-STQMWFEESA-N 2 1 309.366 0.876 20 5 DCBDMP C[C@H](NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001335397374 952531491 /nfs/dbraw/zinc/53/14/91/952531491.db2.gz GGDNJKPEGKCWTA-VBNZEHGJSA-N 2 1 322.409 0.852 20 5 DCBDMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008302 396693128 /nfs/dbraw/zinc/69/31/28/396693128.db2.gz UUJAGZBZMOLZCM-JSGCOSHPSA-N 2 1 311.386 0.474 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000314582494 396782768 /nfs/dbraw/zinc/78/27/68/396782768.db2.gz PRIWIZGTSWJWFI-BXUZGUMPSA-N 2 1 309.370 0.226 20 5 DCBDMP C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000304321532 261173595 /nfs/dbraw/zinc/17/35/95/261173595.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@H+](C)C1 ZINC000304321532 261173598 /nfs/dbraw/zinc/17/35/98/261173598.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP C[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000304321532 261173601 /nfs/dbraw/zinc/17/36/01/261173601.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 2 1 311.386 0.426 20 5 DCBDMP C[N@@H+]1CCc2c(N[C@H]3C[NH2+]C[C@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784480 765762767 /nfs/dbraw/zinc/76/27/67/765762767.db2.gz UMJQJGPOXMYAGV-HZMBPMFUSA-N 2 1 306.366 0.575 20 5 DCBDMP C[N@H+]1CCc2c(N[C@H]3C[NH2+]C[C@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784480 765762773 /nfs/dbraw/zinc/76/27/73/765762773.db2.gz UMJQJGPOXMYAGV-HZMBPMFUSA-N 2 1 306.366 0.575 20 5 DCBDMP Cc1[nH+]ccn1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156010084 770685778 /nfs/dbraw/zinc/68/57/78/770685778.db2.gz XWTFRSONZGTFKM-UHFFFAOYSA-N 2 1 303.326 0.689 20 5 DCBDMP C[NH+](C)/C=C/c1cc(-n2ccnc2C(N)=[NH2+])ncc1[N+](=O)[O-] ZINC001157627533 771643725 /nfs/dbraw/zinc/64/37/25/771643725.db2.gz VNTQZTAAAYEMGG-HWKANZROSA-N 2 1 301.310 0.992 20 5 DCBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159679021 771943542 /nfs/dbraw/zinc/94/35/42/771943542.db2.gz AUSGIUXHUSLPQU-HEKLCECKSA-N 2 1 307.354 0.514 20 5 DCBDMP C[N@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162338627 772363326 /nfs/dbraw/zinc/36/33/26/772363326.db2.gz CRJZXJJMLJIEOG-CQSZACIVSA-N 2 1 306.370 0.968 20 5 DCBDMP C[C@H](NC[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC001335397373 952532014 /nfs/dbraw/zinc/53/20/14/952532014.db2.gz GGDNJKPEGKCWTA-RCBQFDQVSA-N 2 1 322.409 0.852 20 5 DCBDMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502705 416517383 /nfs/dbraw/zinc/51/73/83/416517383.db2.gz FGVQDTPVOCYKER-MCIONIFRSA-N 2 1 322.413 0.768 20 5 DCBDMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000542809813 416632576 /nfs/dbraw/zinc/63/25/76/416632576.db2.gz GVPRCTRQHUCJGD-UHFFFAOYSA-N 2 1 324.381 0.866 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280061 667491815 /nfs/dbraw/zinc/49/18/15/667491815.db2.gz CNXMNMQKMRIBQC-CQSZACIVSA-N 2 1 309.370 0.369 20 5 DCBDMP C[N@@H+]1CCc2c(N[C@@H]3C[NH2+]C[C@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784481 765762782 /nfs/dbraw/zinc/76/27/82/765762782.db2.gz UMJQJGPOXMYAGV-IINYFYTJSA-N 2 1 306.366 0.575 20 5 DCBDMP C[N@H+]1CCc2c(N[C@@H]3C[NH2+]C[C@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784481 765762786 /nfs/dbraw/zinc/76/27/86/765762786.db2.gz UMJQJGPOXMYAGV-IINYFYTJSA-N 2 1 306.366 0.575 20 5 DCBDMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980078 396703044 /nfs/dbraw/zinc/70/30/44/396703044.db2.gz NMEALQPVRYJXSR-CQSZACIVSA-N 2 1 323.397 0.712 20 5 DCBDMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980078 396703045 /nfs/dbraw/zinc/70/30/45/396703045.db2.gz NMEALQPVRYJXSR-CQSZACIVSA-N 2 1 323.397 0.712 20 5 DCBDMP C[N@@H+](CCN1CC[NH2+]CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923285543 667495238 /nfs/dbraw/zinc/49/52/38/667495238.db2.gz HNLXBHBVRRBQDF-OAHLLOKOSA-N 2 1 308.382 0.465 20 5 DCBDMP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923357517 667512900 /nfs/dbraw/zinc/51/29/00/667512900.db2.gz XQJQYAYTAQQJSI-KGLIPLIRSA-N 2 1 309.370 0.228 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516039 667551811 /nfs/dbraw/zinc/55/18/11/667551811.db2.gz SGRLYQTUYAAONK-GUTXKFCHSA-N 2 1 321.377 0.876 20 5 DCBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCN3)CC2)cc1 ZINC001246488654 945419770 /nfs/dbraw/zinc/41/97/70/945419770.db2.gz LERPYIHRYQGTJP-AWEZNQCLSA-N 2 1 319.409 0.715 20 5 DCBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCN3)CC2)cc1 ZINC001246488683 945420079 /nfs/dbraw/zinc/42/00/79/945420079.db2.gz LERPYIHRYQGTJP-CQSZACIVSA-N 2 1 319.409 0.715 20 5 DCBDMP O=[N+]([O-])c1cnn(C2CC([NH2+]CCC[NH+]3CCC(O)CC3)C2)c1 ZINC001330625376 950554773 /nfs/dbraw/zinc/55/47/73/950554773.db2.gz FJEJTSRKNONIOW-UHFFFAOYSA-N 2 1 323.397 0.931 20 5 DCBDMP C[NH+](C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485170 952543995 /nfs/dbraw/zinc/54/39/95/952543995.db2.gz KVYIAANPIXSRJU-MGPQQGTHSA-N 2 1 323.397 0.615 20 5 DCBDMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008303 396693040 /nfs/dbraw/zinc/69/30/40/396693040.db2.gz UUJAGZBZMOLZCM-OCCSQVGLSA-N 2 1 311.386 0.474 20 5 DCBDMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326734 396729846 /nfs/dbraw/zinc/72/98/46/396729846.db2.gz SVRHNZZURZSZDB-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326734 396729848 /nfs/dbraw/zinc/72/98/48/396729848.db2.gz SVRHNZZURZSZDB-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326734 396729849 /nfs/dbraw/zinc/72/98/49/396729849.db2.gz SVRHNZZURZSZDB-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326734 396729851 /nfs/dbraw/zinc/72/98/51/396729851.db2.gz SVRHNZZURZSZDB-GXTWGEPZSA-N 2 1 311.386 0.426 20 5 DCBDMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420385728 287294767 /nfs/dbraw/zinc/29/47/67/287294767.db2.gz HWQPNFGPLQDRQR-LBPRGKRZSA-N 2 1 322.365 0.973 20 5 DCBDMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420385728 287294768 /nfs/dbraw/zinc/29/47/68/287294768.db2.gz HWQPNFGPLQDRQR-LBPRGKRZSA-N 2 1 322.365 0.973 20 5 DCBDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212693 416099053 /nfs/dbraw/zinc/09/90/53/416099053.db2.gz DWTLZPBYTNAJNB-CQSZACIVSA-N 2 1 322.413 0.503 20 5 DCBDMP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000361215244 416426043 /nfs/dbraw/zinc/42/60/43/416426043.db2.gz IEKWMJBNDPAGDB-RISCZKNCSA-N 2 1 324.381 0.824 20 5 DCBDMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502696 416517056 /nfs/dbraw/zinc/51/70/56/416517056.db2.gz FGVQDTPVOCYKER-HZSPNIEDSA-N 2 1 322.413 0.768 20 5 DCBDMP O=C(CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000903883768 663492670 /nfs/dbraw/zinc/49/26/70/663492670.db2.gz ZCALHLXNLYMBFE-UHFFFAOYSA-N 2 1 318.377 0.775 20 5 DCBDMP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523545 1165042739 /nfs/dbraw/zinc/04/27/39/1165042739.db2.gz MNAINYPOYLVXQC-SGIREYDYSA-N 2 1 318.377 0.931 20 5 DCBDMP C[N@H+]1C[C@@H]2CCN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523545 1165042744 /nfs/dbraw/zinc/04/27/44/1165042744.db2.gz MNAINYPOYLVXQC-SGIREYDYSA-N 2 1 318.377 0.931 20 5 DCBDMP CC(C)[N@H+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1C ZINC001158501297 771783642 /nfs/dbraw/zinc/78/36/42/771783642.db2.gz QUVLDHRSFXSOFA-NSHDSACASA-N 2 1 320.397 0.991 20 5 DCBDMP COc1nc(N[C@]2(C[NH3+])C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160510040 772052710 /nfs/dbraw/zinc/05/27/10/772052710.db2.gz DXYBNNASIDJXFK-CQSZACIVSA-N 2 1 307.354 0.833 20 5 DCBDMP CC[NH+](CC)CCNC(=[NH2+])Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001163126915 772468752 /nfs/dbraw/zinc/46/87/52/772468752.db2.gz VPAHIJPAUFKYRN-UHFFFAOYSA-N 2 1 311.346 0.671 20 5 DCBDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001308250120 960172076 /nfs/dbraw/zinc/17/20/76/960172076.db2.gz BKFZWDBEXVVHME-UHFFFAOYSA-N 2 1 306.366 0.849 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833507 397623406 /nfs/dbraw/zinc/62/34/06/397623406.db2.gz QEMJFDCCPPWEDE-MBNYWOFBSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833507 397623408 /nfs/dbraw/zinc/62/34/08/397623408.db2.gz QEMJFDCCPPWEDE-MBNYWOFBSA-N 2 1 307.350 0.486 20 5 DCBDMP O=[N+]([O-])c1cccc(OCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352504531 415196381 /nfs/dbraw/zinc/19/63/81/415196381.db2.gz RATSOGHOVZPOGU-OAHLLOKOSA-N 2 1 320.393 0.953 20 5 DCBDMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000182965181 416234385 /nfs/dbraw/zinc/23/43/85/416234385.db2.gz UPOWUFZFHSLOTL-UHFFFAOYSA-N 2 1 310.402 0.361 20 5 DCBDMP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH2+]CC1 ZINC000430605285 287346513 /nfs/dbraw/zinc/34/65/13/287346513.db2.gz SBMQLXJEGUAAGL-UHFFFAOYSA-N 2 1 322.365 0.337 20 5 DCBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH2+]CC1 ZINC000430605285 287346517 /nfs/dbraw/zinc/34/65/17/287346517.db2.gz SBMQLXJEGUAAGL-UHFFFAOYSA-N 2 1 322.365 0.337 20 5 DCBDMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230061 1165543178 /nfs/dbraw/zinc/54/31/78/1165543178.db2.gz XWKVGZXWVWQAKX-ZIAGYGMSSA-N 2 1 311.386 0.649 20 5 DCBDMP