smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1cc2c(cc1NC[C@@H]1CO[C@@H]3C[NH2+]C[C@H]13)C[NH2+]C2 ZINC001163104714 772462394 /nfs/dbraw/zinc/46/23/94/772462394.db2.gz CGXYBIHLOTWQSF-LALPHHSUSA-N 2 0 304.350 0.844 20 5 DCBDRP C[C@@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164478006 772666261 /nfs/dbraw/zinc/66/62/61/772666261.db2.gz YRTMNMQOBVMRDJ-ZJUUUORDSA-N 2 0 306.370 0.635 20 5 DCBDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336756530 952761355 /nfs/dbraw/zinc/76/13/55/952761355.db2.gz QAHRVALEETWLCO-MRXNPFEDSA-N 2 0 322.409 0.855 20 5 DCBDRP CC[N@H+](C)C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420135 397057730 /nfs/dbraw/zinc/05/77/30/397057730.db2.gz MEKGSIVPOQOVSV-JSGCOSHPSA-N 2 0 323.397 0.789 20 5 DCBDRP [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000923299277 667497322 /nfs/dbraw/zinc/49/73/22/667497322.db2.gz QRUZZYDNTGHLRR-CQDKDKBSSA-N 2 0 306.366 0.567 20 5 DCBDRP C[NH2+]CCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000923326641 667509047 /nfs/dbraw/zinc/50/90/47/667509047.db2.gz HQENGKYLQXSPCS-AWEZNQCLSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923358321 667513629 /nfs/dbraw/zinc/51/36/29/667513629.db2.gz YFUUCMWDHDGWMR-DZGCQCFKSA-N 2 0 323.397 0.474 20 5 DCBDRP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923372143 667518290 /nfs/dbraw/zinc/51/82/90/667518290.db2.gz DQTWQLVEIFTIKM-ZDUSSCGKSA-N 2 0 321.381 0.807 20 5 DCBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCNCC[NH2+]CC1 ZINC000923465538 667537525 /nfs/dbraw/zinc/53/75/25/667537525.db2.gz HALHFSJEJUGMLY-UHFFFAOYSA-N 2 0 321.381 0.337 20 5 DCBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC2C[NH2+]C2)CC1 ZINC001579877147 1165419603 /nfs/dbraw/zinc/41/96/03/1165419603.db2.gz ABCNGKWOYWCSID-UHFFFAOYSA-N 2 0 309.370 0.553 20 5 DCBDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001120558894 767078852 /nfs/dbraw/zinc/07/88/52/767078852.db2.gz KWSUDDCCLQJYPA-INIZCTEOSA-N 2 0 322.409 0.855 20 5 DCBDRP CC1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001157396679 771601147 /nfs/dbraw/zinc/60/11/47/771601147.db2.gz DSYVCXRFMRUXSF-UHFFFAOYSA-N 2 0 321.385 0.348 20 5 DCBDRP CN(CCC[NH+](C)C)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163595169 772545321 /nfs/dbraw/zinc/54/53/21/772545321.db2.gz GJFSRZDTHWEYTE-UHFFFAOYSA-N 2 0 323.401 0.182 20 5 DCBDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001262557438 947726076 /nfs/dbraw/zinc/72/60/76/947726076.db2.gz BMZOHTLPYUDUFU-HNNXBMFYSA-N 2 0 308.382 0.465 20 5 DCBDRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627656 956912989 /nfs/dbraw/zinc/91/29/89/956912989.db2.gz ASYIWTBJCYVIKK-OCCSQVGLSA-N 2 0 311.386 0.474 20 5 DCBDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000247976817 395981149 /nfs/dbraw/zinc/98/11/49/395981149.db2.gz LDYQZUZGICDJAU-YUELXQCFSA-N 2 0 323.397 0.568 20 5 DCBDRP O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CC[NH2+]CC1)OCCO2 ZINC000591277457 396894110 /nfs/dbraw/zinc/89/41/10/396894110.db2.gz NQUBYZMOPSCOSC-UHFFFAOYSA-N 2 0 322.365 0.361 20 5 DCBDRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CCc1ccccc1[N+](=O)[O-] ZINC000420371162 262372027 /nfs/dbraw/zinc/37/20/27/262372027.db2.gz KHVLCKAFRRVKEP-UHFFFAOYSA-N 2 0 320.393 0.891 20 5 DCBDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517231068 272461929 /nfs/dbraw/zinc/46/19/29/272461929.db2.gz PBIFBRONLWGEDL-ORHYLEIMSA-N 2 0 311.386 0.615 20 5 DCBDRP O=[N+]([O-])c1ccc2oc(CN3CC[NH2+]CC[NH2+]CC3)nc2c1 ZINC000923460548 667538279 /nfs/dbraw/zinc/53/82/79/667538279.db2.gz FLEREKGQHXZODK-UHFFFAOYSA-N 2 0 305.338 0.731 20 5 DCBDRP O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)N1 ZINC001163249680 772490692 /nfs/dbraw/zinc/49/06/92/772490692.db2.gz LEWVNEACYSJWGB-OCCSQVGLSA-N 2 0 303.322 0.188 20 5 DCBDRP [NH3+][C@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1(F)F ZINC001166961762 772889864 /nfs/dbraw/zinc/88/98/64/772889864.db2.gz RYMQAUMVHFKPGO-VIFPVBQESA-N 2 0 314.296 0.244 20 5 DCBDRP Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000347059463 287159690 /nfs/dbraw/zinc/15/96/90/287159690.db2.gz XCYXUJDTYPOEKF-UHFFFAOYSA-N 2 0 306.366 0.767 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000174858486 416087736 /nfs/dbraw/zinc/08/77/36/416087736.db2.gz UKLBZMCVFKKZDB-AWEZNQCLSA-N 2 0 323.397 0.836 20 5 DCBDRP COC(=O)COc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414885811 417314775 /nfs/dbraw/zinc/31/47/75/417314775.db2.gz XMRBUOIPDILZNI-SNVBAGLBSA-N 2 0 311.338 0.831 20 5 DCBDRP CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923336201 667510428 /nfs/dbraw/zinc/51/04/28/667510428.db2.gz RPHRNVOSKSGRQA-OCCSQVGLSA-N 2 0 311.386 0.616 20 5 DCBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCNCC[NH2+]CC1 ZINC000923465569 667537653 /nfs/dbraw/zinc/53/76/53/667537653.db2.gz IHIMPCXTXJSAIG-UHFFFAOYSA-N 2 0 321.381 0.337 20 5 DCBDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945562 670955866 /nfs/dbraw/zinc/95/58/66/670955866.db2.gz GIIQJKIGYIMBSF-SNVBAGLBSA-N 2 0 307.354 0.259 20 5 DCBDRP Cc1c(C[NH2+][C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC001579534295 1165339869 /nfs/dbraw/zinc/33/98/69/1165339869.db2.gz DIJAQNYNFIEIOP-GFCCVEGCSA-N 2 0 304.350 0.566 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])ncc1NC(=[NH2+])NCCCC[NH3+] ZINC001167883521 748461575 /nfs/dbraw/zinc/46/15/75/748461575.db2.gz IHYSTEQVHXNEPN-UHFFFAOYSA-N 2 0 310.314 0.452 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001170785292 765766898 /nfs/dbraw/zinc/76/68/98/765766898.db2.gz WSWKMALDZBLQPL-AAEUAGOBSA-N 2 0 324.381 0.527 20 5 DCBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170900171 766250578 /nfs/dbraw/zinc/25/05/78/766250578.db2.gz PPYADMZTBTWIDA-MRVPVSSYSA-N 2 0 320.147 0.426 20 5 DCBDRP COC(=O)c1nc(Cl)nc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159779940 771956809 /nfs/dbraw/zinc/95/68/09/771956809.db2.gz LZFOOISLDLWUMM-YFKPBYRVSA-N 2 0 318.721 0.260 20 5 DCBDRP [NH3+]Cc1ccc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cn1 ZINC001160406974 772033198 /nfs/dbraw/zinc/03/31/98/772033198.db2.gz ZVIWKFVTCHPULS-UHFFFAOYSA-N 2 0 301.310 0.669 20 5 DCBDRP [NH3+]CCCC[NH2+]CCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001162294166 772354021 /nfs/dbraw/zinc/35/40/21/772354021.db2.gz BVLJBXOKKIIVMJ-UHFFFAOYSA-N 3 0 323.401 0.202 20 5 DCBDRP O=[N+]([O-])c1cnc(N2CC[C@]3(C2)CCC[NH2+]C3)nc1C1C[NH2+]C1 ZINC001165242664 772710225 /nfs/dbraw/zinc/71/02/25/772710225.db2.gz ZATFYOHOFBMIDO-OAHLLOKOSA-N 2 0 318.381 0.652 20 5 DCBDRP Cc1cc([N+](=O)[O-])cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC001558935784 1012396089 /nfs/dbraw/zinc/39/60/89/1012396089.db2.gz NQCZGPIXWBLQBB-UHFFFAOYSA-N 2 0 323.397 0.864 20 5 DCBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)CN(C)C ZINC000154299976 396035881 /nfs/dbraw/zinc/03/58/81/396035881.db2.gz RMCBCHFNDRGBBU-FZMZJTMJSA-N 2 0 324.381 0.824 20 5 DCBDRP CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000120763268 415783830 /nfs/dbraw/zinc/78/38/30/415783830.db2.gz GTWRYOIZPRXMKZ-GJBLVYBDSA-N 2 0 304.350 0.709 20 5 DCBDRP O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC001147970303 767888931 /nfs/dbraw/zinc/88/89/31/767888931.db2.gz GPSOVCRVGZAVRY-UHFFFAOYSA-N 2 0 324.406 0.958 20 5 DCBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001170900173 766250561 /nfs/dbraw/zinc/25/05/61/766250561.db2.gz PPYADMZTBTWIDA-QMMMGPOBSA-N 2 0 320.147 0.426 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc1C1C[NH2+]C1 ZINC001155592528 770558820 /nfs/dbraw/zinc/55/88/20/770558820.db2.gz QKFXZMDAGMDCTJ-MIMYLULJSA-N 2 0 304.354 0.482 20 5 DCBDRP C[C@@H](C[NH+](C)C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155914678 770655773 /nfs/dbraw/zinc/65/57/73/770655773.db2.gz LDAAGKWJUOXGTC-JTQLQIEISA-N 2 0 309.374 0.156 20 5 DCBDRP CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1C ZINC001165201854 772703800 /nfs/dbraw/zinc/70/38/00/772703800.db2.gz QUVLDHRSFXSOFA-LLVKDONJSA-N 2 0 320.397 0.991 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCNCC[NH3+])c1F ZINC001246404774 945405598 /nfs/dbraw/zinc/40/55/98/945405598.db2.gz LGBZYYJWLLMQCC-SNVBAGLBSA-N 2 0 314.361 0.811 20 5 DCBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246511405 945424609 /nfs/dbraw/zinc/42/46/09/945424609.db2.gz INLNCXXTZONKBS-ZFWWWQNUSA-N 2 0 320.393 0.895 20 5 DCBDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627652 956912656 /nfs/dbraw/zinc/91/26/56/956912656.db2.gz ASYIWTBJCYVIKK-GXTWGEPZSA-N 2 0 311.386 0.474 20 5 DCBDRP C[NH+]1CCC(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000318385584 291255741 /nfs/dbraw/zinc/25/57/41/291255741.db2.gz CFTXETAZGWAKIF-AWEZNQCLSA-N 2 0 311.386 0.474 20 5 DCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261818059 396069045 /nfs/dbraw/zinc/06/90/45/396069045.db2.gz WJBPGROUCABOFS-AWEZNQCLSA-N 2 0 320.393 0.924 20 5 DCBDRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000600733762 396933334 /nfs/dbraw/zinc/93/33/34/396933334.db2.gz CRHBJADOOFVWRO-UHFFFAOYSA-N 2 0 310.354 0.831 20 5 DCBDRP O=[N+]([O-])CC[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000905060197 663529381 /nfs/dbraw/zinc/52/93/81/663529381.db2.gz LADOAGVMOHOFRY-UHFFFAOYSA-N 2 0 309.366 0.764 20 5 DCBDRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905151616 663536257 /nfs/dbraw/zinc/53/62/57/663536257.db2.gz BSYBGHRXCFVAAF-UHFFFAOYSA-N 2 0 300.403 0.479 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923331463 667507374 /nfs/dbraw/zinc/50/73/74/667507374.db2.gz MGCQPTRMYTVTAW-CYBMUJFWSA-N 2 0 309.370 0.228 20 5 DCBDRP O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516040 667551910 /nfs/dbraw/zinc/55/19/10/667551910.db2.gz SGRLYQTUYAAONK-GZBFAFLISA-N 2 0 321.377 0.876 20 5 DCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032005 671086770 /nfs/dbraw/zinc/08/67/70/671086770.db2.gz BEWYWPHZMZUTMP-XJKSGUPXSA-N 2 0 322.409 0.854 20 5 DCBDRP C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)[C@@H](C)C[N@@H+]1C ZINC001164636511 719258454 /nfs/dbraw/zinc/25/84/54/719258454.db2.gz TYIOLQJKBUAANP-ZJUUUORDSA-N 2 0 306.370 0.600 20 5 DCBDRP C[NH+](C)CCOc1cc(-n2nnc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001167791840 748314457 /nfs/dbraw/zinc/31/44/57/748314457.db2.gz MTVOFNNKAGVYHH-UHFFFAOYSA-N 2 0 321.341 0.012 20 5 DCBDRP [NH3+]C1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC001212171285 750539976 /nfs/dbraw/zinc/53/99/76/750539976.db2.gz SRPIGIOZULXVSQ-UHFFFAOYSA-N 2 0 322.300 0.802 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC001171392668 768439475 /nfs/dbraw/zinc/43/94/75/768439475.db2.gz KOBRKVUJLOFRLW-GHMZBOCLSA-N 2 0 324.385 0.129 20 5 DCBDRP COC(=O)c1nc(Cl)nc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001159779939 771956838 /nfs/dbraw/zinc/95/68/38/771956838.db2.gz LZFOOISLDLWUMM-RXMQYKEDSA-N 2 0 318.721 0.260 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000316757126 396797795 /nfs/dbraw/zinc/79/77/95/396797795.db2.gz JUMMEQRJXASWCQ-OUCADQQQSA-N 2 0 309.370 0.369 20 5 DCBDRP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269821 415936279 /nfs/dbraw/zinc/93/62/79/415936279.db2.gz MGTJOOUBMOQNAT-CQSZACIVSA-N 2 0 311.386 0.570 20 5 DCBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349112 262369989 /nfs/dbraw/zinc/36/99/89/262369989.db2.gz NUJHAQPEARCJDE-HNNXBMFYSA-N 2 0 320.393 0.953 20 5 DCBDRP Cc1c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000576575617 341852905 /nfs/dbraw/zinc/85/29/05/341852905.db2.gz GYTRPYMBRVODPO-GFCCVEGCSA-N 2 0 306.366 0.986 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923357516 667513005 /nfs/dbraw/zinc/51/30/05/667513005.db2.gz XQJQYAYTAQQJSI-KBPBESRZSA-N 2 0 309.370 0.228 20 5 DCBDRP [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001169073045 760572220 /nfs/dbraw/zinc/57/22/20/760572220.db2.gz YNPPYTWJXNPEAA-SSDOTTSWSA-N 2 0 320.334 0.647 20 5 DCBDRP Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176095492 770017252 /nfs/dbraw/zinc/01/72/52/770017252.db2.gz CXPGUSZCUPJVIQ-UHFFFAOYSA-N 2 0 324.385 0.020 20 5 DCBDRP CCN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1CCC[NH2+]C1 ZINC001158207672 771741683 /nfs/dbraw/zinc/74/16/83/771741683.db2.gz UJSQXOKIFVSLAP-LLVKDONJSA-N 2 0 306.370 0.650 20 5 DCBDRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001335369822 952527240 /nfs/dbraw/zinc/52/72/40/952527240.db2.gz YOLGOEXAUADZJG-XJKSGUPXSA-N 2 0 322.409 0.854 20 5 DCBDRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273050 955999595 /nfs/dbraw/zinc/99/95/95/955999595.db2.gz MPLIOIQKZYNXFO-JSGCOSHPSA-N 2 0 309.366 0.876 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000316757132 396797506 /nfs/dbraw/zinc/79/75/06/396797506.db2.gz JUMMEQRJXASWCQ-YRGRVCCFSA-N 2 0 309.370 0.369 20 5 DCBDRP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CC[NH2+]CC1 ZINC000592471967 397185984 /nfs/dbraw/zinc/18/59/84/397185984.db2.gz AHMYBFVZXLCEFG-UHFFFAOYSA-N 2 0 308.382 0.811 20 5 DCBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026299 416139796 /nfs/dbraw/zinc/13/97/96/416139796.db2.gz BMUJUQBWSGXSDH-CQSZACIVSA-N 2 0 322.413 0.503 20 5 DCBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349375 262369845 /nfs/dbraw/zinc/36/98/45/262369845.db2.gz OPXFXXONMNBRAX-CQSZACIVSA-N 2 0 320.393 0.953 20 5 DCBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839620457 668126142 /nfs/dbraw/zinc/12/61/42/668126142.db2.gz ORGGQBMXHHITKY-MGPQQGTHSA-N 2 0 312.414 0.526 20 5 DCBDRP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636496 719258427 /nfs/dbraw/zinc/25/84/27/719258427.db2.gz TYIOLQJKBUAANP-NXEZZACHSA-N 2 0 306.370 0.600 20 5 DCBDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147841258 767857723 /nfs/dbraw/zinc/85/77/23/767857723.db2.gz BLVSQRITNUONBA-UHFFFAOYSA-N 2 0 324.381 0.379 20 5 DCBDRP [NH3+]Cc1cccn1-c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156723837 761426002 /nfs/dbraw/zinc/42/60/02/761426002.db2.gz JOFGZAOANRUELK-UHFFFAOYSA-N 2 0 303.326 0.044 20 5 DCBDRP C[N@@H+]1CCC[C@](C)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162338626 772363261 /nfs/dbraw/zinc/36/32/61/772363261.db2.gz CRJZXJJMLJIEOG-AWEZNQCLSA-N 2 0 306.370 0.968 20 5 DCBDRP O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)N1 ZINC001163249682 772490855 /nfs/dbraw/zinc/49/08/55/772490855.db2.gz LEWVNEACYSJWGB-TZMCWYRMSA-N 2 0 303.322 0.188 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357240608 957236944 /nfs/dbraw/zinc/23/69/44/957236944.db2.gz BXXUXCJKNJWYAG-SCRDCRAPSA-N 2 0 309.370 0.369 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000174858498 416088320 /nfs/dbraw/zinc/08/83/20/416088320.db2.gz UKLBZMCVFKKZDB-CQSZACIVSA-N 2 0 323.397 0.836 20 5 DCBDRP Cn1ncc([N+](=O)[O-])c1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000894874091 662022683 /nfs/dbraw/zinc/02/26/83/662022683.db2.gz ZCYQWVLNSUDTJM-VXGBXAGGSA-N 2 0 310.402 0.504 20 5 DCBDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929279855 668671385 /nfs/dbraw/zinc/67/13/85/668671385.db2.gz HXSJUDLFTAHKHN-UHFFFAOYSA-N 2 0 314.430 0.823 20 5 DCBDRP C[NH2+]Cc1c(C)nn(-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1C ZINC001167099745 746981545 /nfs/dbraw/zinc/98/15/45/746981545.db2.gz HIJYMAOZNVSDCG-UHFFFAOYSA-N 2 0 317.353 0.594 20 5 DCBDRP COC(=O)c1ncc([N+](=O)[O-])cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167884377 748462375 /nfs/dbraw/zinc/46/23/75/748462375.db2.gz VUOCVHVTCTVYAJ-UHFFFAOYSA-N 2 0 310.314 0.452 20 5 DCBDRP COc1cc2ncnc(N[C@@H]([NH3+])CCC[NH3+])c2cc1[N+](=O)[O-] ZINC001159784394 766266277 /nfs/dbraw/zinc/26/62/77/766266277.db2.gz IGZNFCKJYFBXCP-GFCCVEGCSA-N 2 0 306.326 0.982 20 5 DCBDRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC001120577289 767083859 /nfs/dbraw/zinc/08/38/59/767083859.db2.gz VOBYSZVUPMJOSQ-UHFFFAOYSA-N 2 0 320.393 0.879 20 5 DCBDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001338420637 953009423 /nfs/dbraw/zinc/00/94/23/953009423.db2.gz XCBPIHCAOGYLBP-OAHLLOKOSA-N 2 0 308.382 0.293 20 5 DCBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[NH+](C)C1 ZINC000304321524 261173683 /nfs/dbraw/zinc/17/36/83/261173683.db2.gz QMYFTYLABOJWKZ-GXTWGEPZSA-N 2 0 311.386 0.426 20 5 DCBDRP Cc1cnccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582117658 333293661 /nfs/dbraw/zinc/29/36/61/333293661.db2.gz ZFCBLFPZYRAVRB-AWEZNQCLSA-N 2 0 305.338 0.688 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923361876 667519558 /nfs/dbraw/zinc/51/95/58/667519558.db2.gz IGUVWMDZGRSAFJ-UMVBOHGHSA-N 2 0 323.397 0.474 20 5 DCBDRP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636504 719258118 /nfs/dbraw/zinc/25/81/18/719258118.db2.gz TYIOLQJKBUAANP-UWVGGRQHSA-N 2 0 306.370 0.600 20 5 DCBDRP C[NH+](C)CC1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165042511 721951848 /nfs/dbraw/zinc/95/18/48/721951848.db2.gz NQEBGWKJKZJTCD-UHFFFAOYSA-N 2 0 320.397 0.850 20 5 DCBDRP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040100 760556034 /nfs/dbraw/zinc/55/60/34/760556034.db2.gz XWQZSGMVNYZUMJ-UONOGXRCSA-N 2 0 312.414 0.528 20 5 DCBDRP COc1c(F)cc(-n2cncc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169073210 760571927 /nfs/dbraw/zinc/57/19/27/760571927.db2.gz CQQDQKFQNJNFKX-MRVPVSSYSA-N 2 0 310.285 0.790 20 5 DCBDRP CC(C)N(CCC[NH3+])c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156118503 770725976 /nfs/dbraw/zinc/72/59/76/770725976.db2.gz MVQOVWUJRPZKOK-UHFFFAOYSA-N 2 0 323.401 0.358 20 5 DCBDRP O=[N+]([O-])c1cnc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc1C1C[NH2+]C1 ZINC001162808492 772421129 /nfs/dbraw/zinc/42/11/29/772421129.db2.gz SHLWRBBOJDTFRE-WPRPVWTQSA-N 2 0 310.333 0.431 20 5 DCBDRP CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001165141931 772699955 /nfs/dbraw/zinc/69/99/55/772699955.db2.gz SCHPVYPJDNMRPE-UHFFFAOYSA-N 2 0 306.370 0.604 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(CC[NH3+])CC[NH3+])c1F ZINC001246834368 945500412 /nfs/dbraw/zinc/50/04/12/945500412.db2.gz UFADPDBBHUWNAQ-SNVBAGLBSA-N 2 0 314.361 0.893 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCCn2ccnc2)c1 ZINC000315634833 291253553 /nfs/dbraw/zinc/25/35/53/291253553.db2.gz VKVBVQGZTOZVKX-ZDUSSCGKSA-N 2 0 308.342 0.419 20 5 DCBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566088004 291268342 /nfs/dbraw/zinc/26/83/42/291268342.db2.gz KGZIDXKJRQUODJ-CYBMUJFWSA-N 2 0 320.393 0.937 20 5 DCBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749378 396996557 /nfs/dbraw/zinc/99/65/57/396996557.db2.gz MPXXUTDZRWWWIP-SCRDCRAPSA-N 2 0 311.386 0.615 20 5 DCBDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212712 416098494 /nfs/dbraw/zinc/09/84/94/416098494.db2.gz DWTLZPBYTNAJNB-AWEZNQCLSA-N 2 0 322.413 0.503 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329138 667505955 /nfs/dbraw/zinc/50/59/55/667505955.db2.gz PBJWVSFDJNVOTD-CFVMTHIKSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923415169 667530682 /nfs/dbraw/zinc/53/06/82/667530682.db2.gz QLYYKJGUPVXDJZ-BNOWGMLFSA-N 2 0 309.370 0.226 20 5 DCBDRP C[NH+](C)CC1(O)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000931482528 669209942 /nfs/dbraw/zinc/20/99/42/669209942.db2.gz JHKNYKFELSCGPO-UHFFFAOYSA-N 2 0 324.381 0.145 20 5 DCBDRP C[C@H]1C[C@@H](C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC001576599889 1164408258 /nfs/dbraw/zinc/40/82/58/1164408258.db2.gz YECNCIIZWJBYBZ-YXAMBPQSSA-N 2 0 323.393 0.967 20 5 DCBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579877237 1165419703 /nfs/dbraw/zinc/41/97/03/1165419703.db2.gz FBMOIJPWYVWFOY-LBPRGKRZSA-N 2 0 323.397 0.943 20 5 DCBDRP C[NH+](C)CCOc1cc(-n2nncc2C[NH3+])ccc1[N+](=O)[O-] ZINC001169312440 760630907 /nfs/dbraw/zinc/63/09/07/760630907.db2.gz YXRQEILMGLPMRU-UHFFFAOYSA-N 2 0 306.326 0.575 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170785295 765768452 /nfs/dbraw/zinc/76/84/52/765768452.db2.gz WSWKMALDZBLQPL-YPMHNXCESA-N 2 0 324.381 0.527 20 5 DCBDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001346110764 953800967 /nfs/dbraw/zinc/80/09/67/953800967.db2.gz TVDXDJGXVDEGGX-HNNXBMFYSA-N 2 0 308.382 0.465 20 5 DCBDRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285487257 131173383 /nfs/dbraw/zinc/17/33/83/131173383.db2.gz IMMCBTXXAOWXBC-UHFFFAOYSA-N 2 0 324.385 0.416 20 5 DCBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000304321536 261173543 /nfs/dbraw/zinc/17/35/43/261173543.db2.gz QMYFTYLABOJWKZ-TZMCWYRMSA-N 2 0 311.386 0.426 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923329146 667505963 /nfs/dbraw/zinc/50/59/63/667505963.db2.gz PBJWVSFDJNVOTD-YUELXQCFSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364138 667516380 /nfs/dbraw/zinc/51/63/80/667516380.db2.gz JOXFLNSKTYXZFW-HUUCEWRRSA-N 2 0 323.397 0.616 20 5 DCBDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929681972 668719844 /nfs/dbraw/zinc/71/98/44/668719844.db2.gz BYYXFCZKAOYRNE-UHFFFAOYSA-N 2 0 314.430 0.679 20 5 DCBDRP C[C@H]1[C@@H]([NH3+])CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157732534 771660638 /nfs/dbraw/zinc/66/06/38/771660638.db2.gz JXIHZAPOTYORBX-QWRGUYRKSA-N 2 0 321.385 0.110 20 5 DCBDRP O=[N+]([O-])c1c(NC[C@@]2(F)CCCC[NH2+]C2)ncnc1C1C[NH2+]C1 ZINC001162579615 772394942 /nfs/dbraw/zinc/39/49/42/772394942.db2.gz FXBAJOUVNKJZSB-CQSZACIVSA-N 2 0 324.360 0.965 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001339911976 953130316 /nfs/dbraw/zinc/13/03/16/953130316.db2.gz AWPZUWDKPUXUCC-AWEZNQCLSA-N 2 0 323.397 0.618 20 5 DCBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000574400393 397264386 /nfs/dbraw/zinc/26/43/86/397264386.db2.gz LFRNJGHYJRJRCH-OCCSQVGLSA-N 2 0 309.370 0.620 20 5 DCBDRP CN(CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000089269222 415522878 /nfs/dbraw/zinc/52/28/78/415522878.db2.gz MJXUDEBETXSUAU-UHFFFAOYSA-N 2 0 324.429 0.749 20 5 DCBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CC[NH2+]CC2)n1 ZINC000423204630 416477241 /nfs/dbraw/zinc/47/72/41/416477241.db2.gz ODKNBRXRRHUXLC-KBPBESRZSA-N 2 0 322.413 0.770 20 5 DCBDRP C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309639 669176653 /nfs/dbraw/zinc/17/66/53/669176653.db2.gz FFJORIVZQXHPPC-SOUVJXGZSA-N 2 0 323.397 0.426 20 5 DCBDRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179420 669329231 /nfs/dbraw/zinc/32/92/31/669329231.db2.gz GUPVQQQXPKCSTN-CJNGLKHVSA-N 2 0 322.409 0.854 20 5 DCBDRP C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854231825 670536884 /nfs/dbraw/zinc/53/68/84/670536884.db2.gz JIHOOPODUOSBNJ-QMMMGPOBSA-N 2 0 318.337 0.982 20 5 DCBDRP COC(=O)c1ncc([N+](=O)[O-])cc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168746524 754083851 /nfs/dbraw/zinc/08/38/51/754083851.db2.gz UUZWJRYKJHBBJO-UHFFFAOYSA-N 2 0 322.325 0.370 20 5 DCBDRP C[NH+](C)CCN1CC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040101 760555730 /nfs/dbraw/zinc/55/57/30/760555730.db2.gz XWQZSGMVNYZUMJ-ZIAGYGMSSA-N 2 0 312.414 0.528 20 5 DCBDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262561575 947726090 /nfs/dbraw/zinc/72/60/90/947726090.db2.gz AODDVYVFACSWJW-INIZCTEOSA-N 2 0 322.409 0.855 20 5 DCBDRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440986 253084836 /nfs/dbraw/zinc/08/48/36/253084836.db2.gz RXODBNFEBHVJSN-GJZGRUSLSA-N 2 0 323.397 0.570 20 5 DCBDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976812 395981469 /nfs/dbraw/zinc/98/14/69/395981469.db2.gz LDYQZUZGICDJAU-BPLDGKMQSA-N 2 0 323.397 0.568 20 5 DCBDRP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000579236832 397539957 /nfs/dbraw/zinc/53/99/57/397539957.db2.gz KZOMQLNFMWRWJT-CYBMUJFWSA-N 2 0 320.397 0.381 20 5 DCBDRP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)nc1 ZINC000579236833 397539975 /nfs/dbraw/zinc/53/99/75/397539975.db2.gz KZOMQLNFMWRWJT-ZDUSSCGKSA-N 2 0 320.397 0.381 20 5 DCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000133341573 287009938 /nfs/dbraw/zinc/00/99/38/287009938.db2.gz HYBUVRMJDBRWBD-UHFFFAOYSA-N 2 0 324.385 0.947 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000565535971 288859923 /nfs/dbraw/zinc/85/99/23/288859923.db2.gz YRAGCBXYKKRIMH-HNNXBMFYSA-N 2 0 323.397 0.616 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)C[C@H]1C[NH+](C)C ZINC000866010159 667360318 /nfs/dbraw/zinc/36/03/18/667360318.db2.gz GIYJRZXIQJXSHK-VXGBXAGGSA-N 2 0 322.413 0.748 20 5 DCBDRP CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000923460182 667538363 /nfs/dbraw/zinc/53/83/63/667538363.db2.gz CMFFBFOGFONVBR-UHFFFAOYSA-N 2 0 308.382 0.988 20 5 DCBDRP [NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])c2nccn2c1 ZINC001169073407 760572117 /nfs/dbraw/zinc/57/21/17/760572117.db2.gz HBEJPJHYJCVYNY-SECBINFHSA-N 2 0 302.294 0.290 20 5 DCBDRP C[N@@H+]1CCCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627658 956913212 /nfs/dbraw/zinc/91/32/12/956913212.db2.gz ASYIWTBJCYVIKK-TZMCWYRMSA-N 2 0 311.386 0.474 20 5 DCBDRP COC(=O)COc1ccc(C[NH2+]C[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000414885806 417312897 /nfs/dbraw/zinc/31/28/97/417312897.db2.gz XMRBUOIPDILZNI-JTQLQIEISA-N 2 0 311.338 0.831 20 5 DCBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329836 667506025 /nfs/dbraw/zinc/50/60/25/667506025.db2.gz ZEGMASMIFUIGPJ-IIKSMHAQSA-N 2 0 309.370 0.367 20 5 DCBDRP C[N@@H+]1C[C@@]2(C)CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309636 669176733 /nfs/dbraw/zinc/17/67/33/669176733.db2.gz FFJORIVZQXHPPC-KFWWJZLASA-N 2 0 323.397 0.426 20 5 DCBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC2(CC[NH2+]CC2)C1 ZINC001579877236 1165420515 /nfs/dbraw/zinc/42/05/15/1165420515.db2.gz FBMOIJPWYVWFOY-GFCCVEGCSA-N 2 0 323.397 0.943 20 5 DCBDRP COC(=O)[C@@H](CCC[NH3+])Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167899199 748472108 /nfs/dbraw/zinc/47/21/08/748472108.db2.gz INJFTCAGUIQMSC-LLVKDONJSA-N 2 0 308.338 0.890 20 5 DCBDRP O=[N+]([O-])c1cnc(NCC23CC[NH+](CC2)CC3)nc1C1C[NH2+]C1 ZINC001158833943 771825478 /nfs/dbraw/zinc/82/54/78/771825478.db2.gz ZUWWQXIKNMPYMA-UHFFFAOYSA-N 2 0 318.381 0.969 20 5 DCBDRP [NH3+]C1(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCC1 ZINC001163321471 772505744 /nfs/dbraw/zinc/50/57/44/772505744.db2.gz RQDWLSWQTBWNGL-UHFFFAOYSA-N 2 0 307.358 0.088 20 5 DCBDRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273052 956000501 /nfs/dbraw/zinc/00/05/01/956000501.db2.gz MPLIOIQKZYNXFO-OCCSQVGLSA-N 2 0 309.366 0.876 20 5 DCBDRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000387326595 397294311 /nfs/dbraw/zinc/29/43/11/397294311.db2.gz CJGUUNMDLHNGDZ-AWEZNQCLSA-N 2 0 311.386 0.615 20 5 DCBDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000436059000 416547467 /nfs/dbraw/zinc/54/74/67/416547467.db2.gz JQJFHWOSFWNIBE-LBPRGKRZSA-N 2 0 324.385 0.111 20 5 DCBDRP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899909652 663199071 /nfs/dbraw/zinc/19/90/71/663199071.db2.gz GMYQWLBTQOVBOF-ZDUSSCGKSA-N 2 0 309.370 0.322 20 5 DCBDRP C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000899909651 663199186 /nfs/dbraw/zinc/19/91/86/663199186.db2.gz GMYQWLBTQOVBOF-CYBMUJFWSA-N 2 0 309.370 0.322 20 5 DCBDRP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040098 760555796 /nfs/dbraw/zinc/55/57/96/760555796.db2.gz XWQZSGMVNYZUMJ-KBPBESRZSA-N 2 0 312.414 0.528 20 5 DCBDRP C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573244 767083645 /nfs/dbraw/zinc/08/36/45/767083645.db2.gz NCHLSWVKRZNEFN-OLZOCXBDSA-N 2 0 309.366 0.876 20 5 DCBDRP O=[N+]([O-])c1c(NC[C@@H]2CCCC[NH2+]2)ncnc1N1CC[NH2+]CC1 ZINC001160146046 772001609 /nfs/dbraw/zinc/00/16/09/772001609.db2.gz ZABCQUBTVYAFDB-NSHDSACASA-N 2 0 321.385 0.348 20 5 DCBDRP C[NH+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]2C1 ZINC001165151860 772701636 /nfs/dbraw/zinc/70/16/36/772701636.db2.gz SCEXWJIOUWTMRA-QWRGUYRKSA-N 2 0 304.354 0.069 20 5 DCBDRP C[NH+]1CCC(O)(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001338492640 953020360 /nfs/dbraw/zinc/02/03/60/953020360.db2.gz VXZZCOLIKWYQSE-AWEZNQCLSA-N 2 0 309.366 0.675 20 5 DCBDRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000318385585 291255365 /nfs/dbraw/zinc/25/53/65/291255365.db2.gz CFTXETAZGWAKIF-CQSZACIVSA-N 2 0 311.386 0.474 20 5 DCBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)CN(C)C ZINC000154300181 396035905 /nfs/dbraw/zinc/03/59/05/396035905.db2.gz RMCBCHFNDRGBBU-SMDDNHRTSA-N 2 0 324.381 0.824 20 5 DCBDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317522 397155365 /nfs/dbraw/zinc/15/53/65/397155365.db2.gz LRMFDGTZGXDCEJ-OCCSQVGLSA-N 2 0 311.386 0.474 20 5 DCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000420453362 303377722 /nfs/dbraw/zinc/37/77/22/303377722.db2.gz JYXABIPIVIFDAP-UHFFFAOYSA-N 2 0 316.383 0.283 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923363581 667515783 /nfs/dbraw/zinc/51/57/83/667515783.db2.gz CWHVBEWVWZJLSX-BPLDGKMQSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366281 667517017 /nfs/dbraw/zinc/51/70/17/667517017.db2.gz JHCWCTWJMSWQSA-HZPDHXFCSA-N 2 0 320.393 0.608 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])o2)C[C@H]1C[NH+](C)C ZINC000870025086 667699603 /nfs/dbraw/zinc/69/96/03/667699603.db2.gz MVLLCARLSPQJFF-VXGBXAGGSA-N 2 0 324.381 0.999 20 5 DCBDRP C[C@H]([NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001573554703 1163497327 /nfs/dbraw/zinc/49/73/27/1163497327.db2.gz YZMBEDIAQBLWCL-JTQLQIEISA-N 2 0 307.354 0.632 20 5 DCBDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147842451 767859107 /nfs/dbraw/zinc/85/91/07/767859107.db2.gz YLXLPALYNURVNW-UHFFFAOYSA-N 2 0 324.381 0.379 20 5 DCBDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001262561576 947727400 /nfs/dbraw/zinc/72/74/00/947727400.db2.gz AODDVYVFACSWJW-MRXNPFEDSA-N 2 0 322.409 0.855 20 5 DCBDRP CC[N@H+](C)C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420134 397057482 /nfs/dbraw/zinc/05/74/82/397057482.db2.gz MEKGSIVPOQOVSV-GXTWGEPZSA-N 2 0 323.397 0.789 20 5 DCBDRP C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922505 415368313 /nfs/dbraw/zinc/36/83/13/415368313.db2.gz AHEMUZNASCCHDU-RLCAUIQDSA-N 2 0 323.397 0.709 20 5 DCBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352922506 415370698 /nfs/dbraw/zinc/37/06/98/415370698.db2.gz AHEMUZNASCCHDU-YOOVYSLHSA-N 2 0 323.397 0.709 20 5 DCBDRP Cc1cnccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000582117659 333293563 /nfs/dbraw/zinc/29/35/63/333293563.db2.gz ZFCBLFPZYRAVRB-CQSZACIVSA-N 2 0 305.338 0.688 20 5 DCBDRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000904398421 663513191 /nfs/dbraw/zinc/51/31/91/663513191.db2.gz OYTVAJONKPNGBB-UHFFFAOYSA-N 2 0 324.381 0.607 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923363582 667515763 /nfs/dbraw/zinc/51/57/63/667515763.db2.gz CWHVBEWVWZJLSX-CFVMTHIKSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000923415171 667530589 /nfs/dbraw/zinc/53/05/89/667530589.db2.gz QLYYKJGUPVXDJZ-IACUBPJLSA-N 2 0 309.370 0.226 20 5 DCBDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000923449933 667535925 /nfs/dbraw/zinc/53/59/25/667535925.db2.gz QRWRALVMBCTXMF-LBPRGKRZSA-N 2 0 309.370 0.621 20 5 DCBDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000923453075 667536615 /nfs/dbraw/zinc/53/66/15/667536615.db2.gz ZLSWDAFAQSCOFJ-ZDUSSCGKSA-N 2 0 309.370 0.621 20 5 DCBDRP O=C(CCN1CC[NH2+]CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000923462856 667538801 /nfs/dbraw/zinc/53/88/01/667538801.db2.gz BWMMEMPSMJYDMD-UHFFFAOYSA-N 2 0 321.381 0.418 20 5 DCBDRP O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(C3C[NH2+]C3)CC2)cc1 ZINC001580876015 1165749140 /nfs/dbraw/zinc/74/91/40/1165749140.db2.gz WSTANDRINQQJNY-UHFFFAOYSA-N 2 0 320.393 0.953 20 5 DCBDRP Cc1ncc(C[NH3+])c(=N)n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167674429 747513940 /nfs/dbraw/zinc/51/39/40/747513940.db2.gz PFUDNECNPVHPCN-UHFFFAOYSA-N 2 0 300.322 0.630 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])ncc1NC(=[NH2+])N1CC[NH+](C)CC1 ZINC001168740905 754045250 /nfs/dbraw/zinc/04/52/50/754045250.db2.gz RJWGYFKSIGHNRC-UHFFFAOYSA-N 2 0 322.325 0.370 20 5 DCBDRP COc1nc(SC)nc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170899114 766249348 /nfs/dbraw/zinc/24/93/48/766249348.db2.gz RYIZDWHDNZDBBP-LURJTMIESA-N 2 0 302.360 0.551 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)C[NH3+])c1F ZINC001173177965 769555657 /nfs/dbraw/zinc/55/56/57/769555657.db2.gz YXGVMOXDDXGLTH-BDAKNGLRSA-N 2 0 301.318 0.583 20 5 DCBDRP C[C@@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001158681982 771807304 /nfs/dbraw/zinc/80/73/04/771807304.db2.gz GPRPZSURTAQFKC-AWEZNQCLSA-N 2 0 306.370 0.637 20 5 DCBDRP C[C@@]1([NH3+])C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001162325393 772361344 /nfs/dbraw/zinc/36/13/44/772361344.db2.gz XUFQAHHQPZDZMY-SWZMTVOYSA-N 2 0 307.358 0.086 20 5 DCBDRP O=[N+]([O-])c1cnc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc1C1C[NH2+]C1 ZINC001165242660 772710144 /nfs/dbraw/zinc/71/01/44/772710144.db2.gz ZATFYOHOFBMIDO-HNNXBMFYSA-N 2 0 318.381 0.652 20 5 DCBDRP [NH3+][C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1(F)F ZINC001166961761 772890110 /nfs/dbraw/zinc/89/01/10/772890110.db2.gz RYMQAUMVHFKPGO-SECBINFHSA-N 2 0 314.296 0.244 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923358323 667513815 /nfs/dbraw/zinc/51/38/15/667513815.db2.gz YFUUCMWDHDGWMR-HIFRSBDPSA-N 2 0 323.397 0.474 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000923360122 667518692 /nfs/dbraw/zinc/51/86/92/667518692.db2.gz WIBFYDBNDKILMT-ZDUSSCGKSA-N 2 0 309.370 0.228 20 5 DCBDRP COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC(=[NH2+])NCCCC[NH3+] ZINC001167878701 748459279 /nfs/dbraw/zinc/45/92/79/748459279.db2.gz OGSJVIXXZVFLIR-UHFFFAOYSA-N 2 0 324.341 0.760 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])cc(NC(=[NH2+])N2CC[NH+](C)CC2)n1 ZINC001168735472 753969910 /nfs/dbraw/zinc/96/99/10/753969910.db2.gz QQHVISGFHKKXQW-UHFFFAOYSA-N 2 0 322.325 0.370 20 5 DCBDRP O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C12CC[NH+](CC1)C2 ZINC001147970226 767889712 /nfs/dbraw/zinc/88/97/12/767889712.db2.gz CCSDFIJBBMPAQN-UHFFFAOYSA-N 2 0 318.377 0.896 20 5 DCBDRP C[C@]1(C[NH3+])CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001158681984 771806932 /nfs/dbraw/zinc/80/69/32/771806932.db2.gz GPRPZSURTAQFKC-CQSZACIVSA-N 2 0 306.370 0.637 20 5 DCBDRP Cc1n[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000530641766 396580606 /nfs/dbraw/zinc/58/06/06/396580606.db2.gz IKIJIGWHGQIMRP-UHFFFAOYSA-N 2 0 312.374 0.192 20 5 DCBDRP C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026148 396787823 /nfs/dbraw/zinc/78/78/23/396787823.db2.gz LVXYSGKIXBJKFT-OCCSQVGLSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])CC[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000905095939 663533116 /nfs/dbraw/zinc/53/31/16/663533116.db2.gz VGERRSASBNLBRM-UHFFFAOYSA-N 2 0 308.386 0.245 20 5 DCBDRP COc1ccc(OCCN2CC[NH2+]CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000923461640 667538295 /nfs/dbraw/zinc/53/82/95/667538295.db2.gz RKEJTGRROPUJQX-UHFFFAOYSA-N 2 0 324.381 0.477 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000872636126 685395477 /nfs/dbraw/zinc/39/54/77/685395477.db2.gz BBISAAGSKZRFER-CHWSQXEVSA-N 2 0 310.402 0.420 20 5 DCBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001580259704 1165550300 /nfs/dbraw/zinc/55/03/00/1165550300.db2.gz DSBGADAJLZSDCY-OBCWZRDOSA-N 2 0 309.366 0.706 20 5 DCBDRP [NH3+]CCCOCCOCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974643 760536705 /nfs/dbraw/zinc/53/67/05/760536705.db2.gz RPYNTMDSVSGGCW-ZIAGYGMSSA-N 2 0 303.403 0.794 20 5 DCBDRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001120467866 767027127 /nfs/dbraw/zinc/02/71/27/767027127.db2.gz NRANBHFONSIKPJ-CQSZACIVSA-N 2 0 308.382 0.293 20 5 DCBDRP CC(C)N(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1CC[NH2+]C1 ZINC001158034803 771716598 /nfs/dbraw/zinc/71/65/98/771716598.db2.gz JLORHEIXUNXAQP-NSHDSACASA-N 2 0 306.370 0.648 20 5 DCBDRP O=[N+]([O-])c1cc2c(cc1NC[C@]13C[NH2+]C[C@H]1COC3)C[NH2+]C2 ZINC001163154853 772473587 /nfs/dbraw/zinc/47/35/87/772473587.db2.gz QGXBBPKOZUOLJD-WFASDCNBSA-N 2 0 304.350 0.846 20 5 DCBDRP [NH3+]CC1(F)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165264955 772712933 /nfs/dbraw/zinc/71/29/33/772712933.db2.gz SXNLUTODOKAQMR-UHFFFAOYSA-N 2 0 310.333 0.339 20 5 DCBDRP COc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000316208331 396794633 /nfs/dbraw/zinc/79/46/33/396794633.db2.gz XTYNNUYWPGFTTC-UHFFFAOYSA-N 2 0 308.382 0.940 20 5 DCBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749377 396997517 /nfs/dbraw/zinc/99/75/17/396997517.db2.gz MPXXUTDZRWWWIP-OUCADQQQSA-N 2 0 311.386 0.615 20 5 DCBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000451982748 417427634 /nfs/dbraw/zinc/42/76/34/417427634.db2.gz JZMWYLVSBVUVPY-UHFFFAOYSA-N 2 0 324.429 0.797 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923357518 667513605 /nfs/dbraw/zinc/51/36/05/667513605.db2.gz XQJQYAYTAQQJSI-UONOGXRCSA-N 2 0 309.370 0.228 20 5 DCBDRP [NH3+]C[C@H]1CC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001580259706 1165551254 /nfs/dbraw/zinc/55/12/54/1165551254.db2.gz DSBGADAJLZSDCY-QMGNLALYSA-N 2 0 309.366 0.706 20 5 DCBDRP COC(=O)Cc1ccc(NC(=[NH2+])NCCCC[NH3+])cc1[N+](=O)[O-] ZINC001167881922 748460850 /nfs/dbraw/zinc/46/08/50/748460850.db2.gz MLNNKBNTUWBSEN-UHFFFAOYSA-N 2 0 323.353 0.985 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])c(N[C@H]([NH3+])CCC[NH3+])cc1OC ZINC001170900097 766250482 /nfs/dbraw/zinc/25/04/82/766250482.db2.gz IMAQZGQARJILSP-LBPRGKRZSA-N 2 0 312.326 0.826 20 5 DCBDRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273048 955999672 /nfs/dbraw/zinc/99/96/72/955999672.db2.gz MPLIOIQKZYNXFO-GXTWGEPZSA-N 2 0 309.366 0.876 20 5 DCBDRP Cc1nc(NCC[NH+](C)C)nc(NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000179684299 186204896 /nfs/dbraw/zinc/20/48/96/186204896.db2.gz SGQAIBAUCAHIKF-UHFFFAOYSA-N 2 0 311.390 0.640 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000579583806 397581793 /nfs/dbraw/zinc/58/17/93/397581793.db2.gz MQUKJRXMCUXCES-OAHLLOKOSA-N 2 0 323.397 0.759 20 5 DCBDRP C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CC[NH2+]CC2)O1 ZINC001576807232 1164471060 /nfs/dbraw/zinc/47/10/60/1164471060.db2.gz OJUAPCQOBIZDKN-GFCCVEGCSA-N 2 0 309.370 0.634 20 5 DCBDRP CN(CCn1cc([N+](=O)[O-])ccc1=O)C1(C[NH3+])CCOCC1 ZINC001578483127 1165032628 /nfs/dbraw/zinc/03/26/28/1165032628.db2.gz RHAXLTHXNDCGDN-UHFFFAOYSA-N 2 0 310.354 0.196 20 5 DCBDRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573243 767083496 /nfs/dbraw/zinc/08/34/96/767083496.db2.gz NCHLSWVKRZNEFN-CHWSQXEVSA-N 2 0 309.366 0.876 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@@H]2COC[C@@H]2[NH3+])ccc1[N+](=O)[O-] ZINC001162924909 772432559 /nfs/dbraw/zinc/43/25/59/772432559.db2.gz IPUSNLRSMPPYEO-NWDGAFQWSA-N 2 0 310.354 0.673 20 5 DCBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749376 396997176 /nfs/dbraw/zinc/99/71/76/396997176.db2.gz MPXXUTDZRWWWIP-BZPMIXESSA-N 2 0 311.386 0.615 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923363584 667515735 /nfs/dbraw/zinc/51/57/35/667515735.db2.gz CWHVBEWVWZJLSX-YUELXQCFSA-N 2 0 323.397 0.616 20 5 DCBDRP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000854231823 670537474 /nfs/dbraw/zinc/53/74/74/670537474.db2.gz JIHOOPODUOSBNJ-MRVPVSSYSA-N 2 0 318.337 0.982 20 5 DCBDRP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578480196 1165032335 /nfs/dbraw/zinc/03/23/35/1165032335.db2.gz AFKDVNXPSXVNRM-ZDUSSCGKSA-N 2 0 319.361 0.974 20 5 DCBDRP O=[N+]([O-])c1c(NCC23CC[NH+](CC2)CC3)ncnc1C1C[NH2+]C1 ZINC001169795205 760862441 /nfs/dbraw/zinc/86/24/41/760862441.db2.gz LSTQKACGOKOMAL-UHFFFAOYSA-N 2 0 318.381 0.969 20 5 DCBDRP C[NH+](C)CCOc1cc(NC[C@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001170043005 761670316 /nfs/dbraw/zinc/67/03/16/761670316.db2.gz DBJPEOXYEODYBX-ZDUSSCGKSA-N 2 0 324.381 0.936 20 5 DCBDRP [NH3+][C@H]1CCC[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001154978662 770357795 /nfs/dbraw/zinc/35/77/95/770357795.db2.gz SUARVPXKHLFDKT-WDEREUQCSA-N 2 0 321.385 0.476 20 5 DCBDRP O=[N+]([O-])c1c(NCC[C@H]2CCC[NH2+]2)ncnc1N1CC[NH2+]CC1 ZINC001158629254 771796314 /nfs/dbraw/zinc/79/63/14/771796314.db2.gz URXZBOLLXKOEMO-LLVKDONJSA-N 2 0 321.385 0.348 20 5 DCBDRP O=[N+]([O-])c1cnc(N2CCC(C3C[NH2+]C3)CC2)nc1C1C[NH2+]C1 ZINC001165412449 772734558 /nfs/dbraw/zinc/73/45/58/772734558.db2.gz NGWFDWOIWMXFIC-UHFFFAOYSA-N 2 0 318.381 0.507 20 5 DCBDRP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC001335397371 952531542 /nfs/dbraw/zinc/53/15/42/952531542.db2.gz GGDNJKPEGKCWTA-APHBMKBZSA-N 2 0 322.409 0.852 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280053 667492031 /nfs/dbraw/zinc/49/20/31/667492031.db2.gz CNXMNMQKMRIBQC-AWEZNQCLSA-N 2 0 309.370 0.369 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000923331480 667507198 /nfs/dbraw/zinc/50/71/98/667507198.db2.gz MGCQPTRMYTVTAW-ZDUSSCGKSA-N 2 0 309.370 0.228 20 5 DCBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839620456 668126194 /nfs/dbraw/zinc/12/61/94/668126194.db2.gz ORGGQBMXHHITKY-BFHYXJOUSA-N 2 0 312.414 0.526 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170900053 766250921 /nfs/dbraw/zinc/25/09/21/766250921.db2.gz HUHLAIJOJNEJGM-AWEZNQCLSA-N 3 0 311.386 0.971 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000562988455 396691357 /nfs/dbraw/zinc/69/13/57/396691357.db2.gz NUYQDBRWFAGIFT-HNNXBMFYSA-N 2 0 323.397 0.616 20 5 DCBDRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314886873 396786524 /nfs/dbraw/zinc/78/65/24/396786524.db2.gz ZUYAQZFQATTYQX-CQSZACIVSA-N 2 0 311.386 0.474 20 5 DCBDRP CN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000579812679 397593361 /nfs/dbraw/zinc/59/33/61/397593361.db2.gz VSGRFPHPQDAALS-CQSZACIVSA-N 2 0 321.381 0.422 20 5 DCBDRP C[NH+]1CCC(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000895949532 662231924 /nfs/dbraw/zinc/23/19/24/662231924.db2.gz ZNAJEYGFOMQFRQ-HZPDHXFCSA-N 2 0 323.393 0.921 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364137 667516607 /nfs/dbraw/zinc/51/66/07/667516607.db2.gz JOXFLNSKTYXZFW-GJZGRUSLSA-N 2 0 323.397 0.616 20 5 DCBDRP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000872230983 667880382 /nfs/dbraw/zinc/88/03/82/667880382.db2.gz BTICVNGPODFFDX-OAHLLOKOSA-N 2 0 322.409 0.601 20 5 DCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032002 671086885 /nfs/dbraw/zinc/08/68/85/671086885.db2.gz BEWYWPHZMZUTMP-BBRMVZONSA-N 2 0 322.409 0.854 20 5 DCBDRP C[C@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164074879 772610486 /nfs/dbraw/zinc/61/04/86/772610486.db2.gz ANVXKRPUMNCFKM-GXSJLCMTSA-N 2 0 306.370 0.635 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCNCC[NH3+])c1F ZINC001246404773 945405423 /nfs/dbraw/zinc/40/54/23/945405423.db2.gz LGBZYYJWLLMQCC-JTQLQIEISA-N 2 0 314.361 0.811 20 5 DCBDRP C[N@H+](CCN1CC[NH2+]CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923285542 667495322 /nfs/dbraw/zinc/49/53/22/667495322.db2.gz HNLXBHBVRRBQDF-HNNXBMFYSA-N 2 0 308.382 0.465 20 5 DCBDRP C[NH+](C)CCOCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147842304 767858197 /nfs/dbraw/zinc/85/81/97/767858197.db2.gz QRHHIAYRWBFHBI-UHFFFAOYSA-N 2 0 324.381 0.379 20 5 DCBDRP [NH3+]CCCOCCOCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974640 760536649 /nfs/dbraw/zinc/53/66/49/760536649.db2.gz RPYNTMDSVSGGCW-KBPBESRZSA-N 2 0 303.403 0.794 20 5 DCBDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001120467864 767026950 /nfs/dbraw/zinc/02/69/50/767026950.db2.gz NRANBHFONSIKPJ-AWEZNQCLSA-N 2 0 308.382 0.293 20 5 DCBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000578073515 397387541 /nfs/dbraw/zinc/38/75/41/397387541.db2.gz ODNBRXSFFKRJAN-KGLIPLIRSA-N 2 0 309.370 0.620 20 5 DCBDRP COC(=O)COc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414887389 417314689 /nfs/dbraw/zinc/31/46/89/417314689.db2.gz DLVKNSJRNHXRJG-JTQLQIEISA-N 2 0 311.338 0.974 20 5 DCBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329835 667506132 /nfs/dbraw/zinc/50/61/32/667506132.db2.gz ZEGMASMIFUIGPJ-BRZZBQFESA-N 2 0 309.370 0.367 20 5 DCBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366282 667517202 /nfs/dbraw/zinc/51/72/02/667517202.db2.gz JHCWCTWJMSWQSA-JKSUJKDBSA-N 2 0 320.393 0.608 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923428783 667531665 /nfs/dbraw/zinc/53/16/65/667531665.db2.gz RFWVQJMLASWNQK-GJZGRUSLSA-N 2 0 323.397 0.618 20 5 DCBDRP C[C@@H]1C[C@@H](C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC001576599887 1164407693 /nfs/dbraw/zinc/40/76/93/1164407693.db2.gz YECNCIIZWJBYBZ-NOXHYTERSA-N 2 0 323.393 0.967 20 5 DCBDRP C[N@H+](CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473920 1165028435 /nfs/dbraw/zinc/02/84/35/1165028435.db2.gz UPZNHGKSFQLSNJ-HNNXBMFYSA-N 2 0 306.366 0.979 20 5 DCBDRP O=[N+]([O-])c1cc(F)cnc1-c1noc(C23C[NH2+]CC2C[NH2+]C3)n1 ZINC001247850019 945578007 /nfs/dbraw/zinc/57/80/07/945578007.db2.gz GPPFNFOLWGXIBI-UHFFFAOYSA-N 2 0 320.284 0.239 20 5 DCBDRP C[NH+]1CCN(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335880431 952613671 /nfs/dbraw/zinc/61/36/71/952613671.db2.gz BGKMANAWNYEEDJ-INIZCTEOSA-N 2 0 322.409 0.855 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H]([NH+]3CCCC3)C2)c1 ZINC001357240594 957238205 /nfs/dbraw/zinc/23/82/05/957238205.db2.gz BXXUXCJKNJWYAG-MBNYWOFBSA-N 2 0 309.370 0.369 20 5 DCBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000176228081 416122118 /nfs/dbraw/zinc/12/21/18/416122118.db2.gz SQGXBYZNANZANY-UHFFFAOYSA-N 2 0 323.397 0.836 20 5 DCBDRP Cn1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c([N+](=O)[O-])n1 ZINC000923446697 667534657 /nfs/dbraw/zinc/53/46/57/667534657.db2.gz MZEYJSHLETUHHO-LBPRGKRZSA-N 2 0 309.370 0.658 20 5 DCBDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000923449932 667536013 /nfs/dbraw/zinc/53/60/13/667536013.db2.gz QRWRALVMBCTXMF-GFCCVEGCSA-N 2 0 309.370 0.621 20 5 DCBDRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931284129 669173593 /nfs/dbraw/zinc/17/35/93/669173593.db2.gz QLMYVNIDFWYIPT-OJLVUWQFSA-N 2 0 321.377 0.826 20 5 DCBDRP C[C@H]1C[C@H](C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC001576599888 1164408600 /nfs/dbraw/zinc/40/86/00/1164408600.db2.gz YECNCIIZWJBYBZ-UAXWRAGISA-N 2 0 323.393 0.967 20 5 DCBDRP C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3C[C@H]3[NH3+])c2)CC1 ZINC001578537215 1165050950 /nfs/dbraw/zinc/05/09/50/1165050950.db2.gz QOPPUBZIZMWUDD-NWDGAFQWSA-N 2 0 319.365 0.632 20 5 DCBDRP O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C12CC[NH+](CC1)C2 ZINC001147971266 767889258 /nfs/dbraw/zinc/88/92/58/767889258.db2.gz YNLOBCLZMNLEBG-UHFFFAOYSA-N 2 0 318.377 0.896 20 5 DCBDRP [NH3+]CCCOCCOCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168974642 760536686 /nfs/dbraw/zinc/53/66/86/760536686.db2.gz RPYNTMDSVSGGCW-UONOGXRCSA-N 2 0 303.403 0.794 20 5 DCBDRP C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001157283340 771576267 /nfs/dbraw/zinc/57/62/67/771576267.db2.gz URAWBUFLAYUAKZ-MFKMUULPSA-N 2 0 318.381 0.602 20 5 DCBDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001356627654 956912151 /nfs/dbraw/zinc/91/21/51/956912151.db2.gz ASYIWTBJCYVIKK-JSGCOSHPSA-N 2 0 311.386 0.474 20 5 DCBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566088005 291268171 /nfs/dbraw/zinc/26/81/71/291268171.db2.gz KGZIDXKJRQUODJ-ZDUSSCGKSA-N 2 0 320.393 0.937 20 5 DCBDRP C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(N3CC([NH+](C)C)C3)n2)C1 ZINC000276577719 415478295 /nfs/dbraw/zinc/47/82/95/415478295.db2.gz OGSBMIUYJSKWHJ-UHFFFAOYSA-N 2 0 320.397 0.490 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923428782 667531552 /nfs/dbraw/zinc/53/15/52/667531552.db2.gz RFWVQJMLASWNQK-CABCVRRESA-N 2 0 323.397 0.618 20 5 DCBDRP O=C(CCN1CC[NH2+]CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000923462831 667538826 /nfs/dbraw/zinc/53/88/26/667538826.db2.gz AZIQCFRXPZKCBD-UHFFFAOYSA-N 2 0 321.381 0.418 20 5 DCBDRP C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000931284128 669173939 /nfs/dbraw/zinc/17/39/39/669173939.db2.gz QLMYVNIDFWYIPT-ARLBYUKCSA-N 2 0 321.377 0.826 20 5 DCBDRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435762 669203596 /nfs/dbraw/zinc/20/35/96/669203596.db2.gz NQFGNHHLYGTZIT-DYEKYZERSA-N 2 0 309.370 0.036 20 5 DCBDRP CCOc1cnc(NC(=[NH2+])N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001168735134 753964512 /nfs/dbraw/zinc/96/45/12/753964512.db2.gz JLPZDRYCBHLHSX-UHFFFAOYSA-N 2 0 308.342 0.983 20 5 DCBDRP [NH3+][C@H]1CCC[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001154978661 770357266 /nfs/dbraw/zinc/35/72/66/770357266.db2.gz SUARVPXKHLFDKT-QWRGUYRKSA-N 2 0 321.385 0.476 20 5 DCBDRP O=[N+]([O-])c1cnc(N2CC3(C2)CCC[NH2+]C3)nc1C1C[NH2+]C1 ZINC001159026006 771849682 /nfs/dbraw/zinc/84/96/82/771849682.db2.gz IPXZJKHTADVZFD-UHFFFAOYSA-N 2 0 304.354 0.261 20 5 DCBDRP COc1nc(C)c([N+](=O)[O-])c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162290417 772353786 /nfs/dbraw/zinc/35/37/86/772353786.db2.gz SPZUZJRZEXKJAL-UHFFFAOYSA-N 2 0 312.374 0.832 20 5 DCBDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247976814 395981401 /nfs/dbraw/zinc/98/14/01/395981401.db2.gz LDYQZUZGICDJAU-VHDGCEQUSA-N 2 0 323.397 0.568 20 5 DCBDRP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000337269820 415937095 /nfs/dbraw/zinc/93/70/95/415937095.db2.gz MGTJOOUBMOQNAT-AWEZNQCLSA-N 2 0 311.386 0.570 20 5 DCBDRP CCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314843701 261174121 /nfs/dbraw/zinc/17/41/21/261174121.db2.gz VPZJKVAGAAXORK-CQSZACIVSA-N 2 0 311.386 0.616 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000870021102 667698812 /nfs/dbraw/zinc/69/88/12/667698812.db2.gz AEODEJDPBRXDOJ-GHMZBOCLSA-N 2 0 324.385 0.129 20 5 DCBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000843356038 672086511 /nfs/dbraw/zinc/08/65/11/672086511.db2.gz BZYGGJDTODSRGJ-UHFFFAOYSA-N 2 0 319.409 0.622 20 5 DCBDRP Cc1nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000872635968 685395702 /nfs/dbraw/zinc/39/57/02/685395702.db2.gz DDNLWRZDCMCNQH-ZIAGYGMSSA-N 2 0 324.429 0.728 20 5 DCBDRP C[C@@H]([NH3+])C(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001573554704 1163498038 /nfs/dbraw/zinc/49/80/38/1163498038.db2.gz YZMBEDIAQBLWCL-SNVBAGLBSA-N 2 0 307.354 0.632 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1C[NH+](C)C ZINC001640268826 1171874605 /nfs/dbraw/zinc/87/46/05/1171874605.db2.gz UZJAAROEGHNHHY-GHMZBOCLSA-N 2 0 323.401 0.143 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]([NH3+])CCC[NH3+])cc1OC ZINC001170900094 766250425 /nfs/dbraw/zinc/25/04/25/766250425.db2.gz IMAQZGQARJILSP-GFCCVEGCSA-N 2 0 312.326 0.826 20 5 DCBDRP CC(C)[N@H+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001157021811 771519114 /nfs/dbraw/zinc/51/91/14/771519114.db2.gz QXHUPIAWTHGWFS-GFCCVEGCSA-N 2 0 320.397 0.991 20 5 DCBDRP C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026146 396787369 /nfs/dbraw/zinc/78/73/69/396787369.db2.gz LVXYSGKIXBJKFT-GXTWGEPZSA-N 2 0 311.386 0.474 20 5 DCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104532649 659428924 /nfs/dbraw/zinc/42/89/24/659428924.db2.gz CAJKIIUMTHJXTD-UHFFFAOYSA-N 2 0 323.397 0.742 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428784 667531716 /nfs/dbraw/zinc/53/17/16/667531716.db2.gz RFWVQJMLASWNQK-HUUCEWRRSA-N 2 0 323.397 0.618 20 5 DCBDRP C[C@H]1[C@H]([NH3+])CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157732536 771661203 /nfs/dbraw/zinc/66/12/03/771661203.db2.gz JXIHZAPOTYORBX-WDEREUQCSA-N 2 0 321.385 0.110 20 5 DCBDRP [NH3+][C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246558721 945432792 /nfs/dbraw/zinc/43/27/92/945432792.db2.gz MRHYDUACMHQQBM-HZPDHXFCSA-N 2 0 320.393 0.958 20 5 DCBDRP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCN1C ZINC001335397372 952531517 /nfs/dbraw/zinc/53/15/17/952531517.db2.gz GGDNJKPEGKCWTA-MAZHCROVSA-N 2 0 322.409 0.852 20 5 DCBDRP Cn1cc([N+](=O)[O-])c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC001307186660 960141589 /nfs/dbraw/zinc/14/15/89/960141589.db2.gz ZCZKAUCTDGAHPI-VXGBXAGGSA-N 2 0 310.402 0.504 20 5 DCBDRP COc1cc(C[NH2+]CCOCC[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000349216662 254278003 /nfs/dbraw/zinc/27/80/03/254278003.db2.gz KTLBUSHRQGQNRN-UHFFFAOYSA-N 2 0 313.354 0.977 20 5 DCBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H](O)CN(C)C ZINC000154300074 396035893 /nfs/dbraw/zinc/03/58/93/396035893.db2.gz RMCBCHFNDRGBBU-RISCZKNCSA-N 2 0 324.381 0.824 20 5 DCBDRP C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026147 396787472 /nfs/dbraw/zinc/78/74/72/396787472.db2.gz LVXYSGKIXBJKFT-JSGCOSHPSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000600760127 396940882 /nfs/dbraw/zinc/94/08/82/396940882.db2.gz QIJXRYZDULMHEM-OAHLLOKOSA-N 2 0 323.397 0.882 20 5 DCBDRP C[C@@H]1COCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850245 397595583 /nfs/dbraw/zinc/59/55/83/397595583.db2.gz RPWNWRHKNVOVBE-CYBMUJFWSA-N 2 0 323.397 0.976 20 5 DCBDRP COc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414785316 417301937 /nfs/dbraw/zinc/30/19/37/417301937.db2.gz VBBZNCVWWOXRDO-UHFFFAOYSA-N 2 0 308.382 0.988 20 5 DCBDRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932179421 669328940 /nfs/dbraw/zinc/32/89/40/669328940.db2.gz GUPVQQQXPKCSTN-CZUORRHYSA-N 2 0 322.409 0.854 20 5 DCBDRP C[N@H+](CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)C1CC1 ZINC001578473921 1165029266 /nfs/dbraw/zinc/02/92/66/1165029266.db2.gz UPZNHGKSFQLSNJ-OAHLLOKOSA-N 2 0 306.366 0.979 20 5 DCBDRP [NH3+][C@@H](CO)Cc1cncn1-c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001169073489 760572193 /nfs/dbraw/zinc/57/21/93/760572193.db2.gz JMCBUQMJZLOMMB-SECBINFHSA-N 2 0 302.294 0.290 20 5 DCBDRP O=[N+]([O-])c1c(N[C@H]2C[NH+]3CCC2CC3)ncnc1C1C[NH2+]C1 ZINC001163387918 772519122 /nfs/dbraw/zinc/51/91/22/772519122.db2.gz KVOAYISFXDWTDP-NSHDSACASA-N 2 0 304.354 0.578 20 5 DCBDRP CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001163772875 772568334 /nfs/dbraw/zinc/56/83/34/772568334.db2.gz QUGPBOZJRHWBLB-UHFFFAOYSA-N 2 0 306.370 0.604 20 5 DCBDRP [NH3+]C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC001246579366 945436008 /nfs/dbraw/zinc/43/60/08/945436008.db2.gz IVFZHRQREQEARN-LRDDRELGSA-N 2 0 320.393 0.815 20 5 DCBDRP Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436055416 416544824 /nfs/dbraw/zinc/54/48/24/416544824.db2.gz UBHYGRISASMJNU-NSHDSACASA-N 2 0 324.385 0.148 20 5 DCBDRP Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436055413 416545766 /nfs/dbraw/zinc/54/57/66/416545766.db2.gz UBHYGRISASMJNU-LLVKDONJSA-N 2 0 324.385 0.148 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923329134 667506260 /nfs/dbraw/zinc/50/62/60/667506260.db2.gz PBJWVSFDJNVOTD-BPLDGKMQSA-N 2 0 323.397 0.616 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H]1C[NH+](C)C ZINC000870022921 667699063 /nfs/dbraw/zinc/69/90/63/667699063.db2.gz FBCLZUJMIGJFRF-VXGBXAGGSA-N 2 0 323.397 0.734 20 5 DCBDRP C[NH2+]CC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001578621388 1165070504 /nfs/dbraw/zinc/07/05/04/1165070504.db2.gz GJUZQSZYYYOEQW-UHFFFAOYSA-N 2 0 307.354 0.505 20 5 DCBDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001120558896 767078602 /nfs/dbraw/zinc/07/86/02/767078602.db2.gz KWSUDDCCLQJYPA-MRXNPFEDSA-N 2 0 322.409 0.855 20 5 DCBDRP C[C@H]1COCC[N@@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000579850246 397595781 /nfs/dbraw/zinc/59/57/81/397595781.db2.gz RPWNWRHKNVOVBE-ZDUSSCGKSA-N 2 0 323.397 0.976 20 5 DCBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348159 287293734 /nfs/dbraw/zinc/29/37/34/287293734.db2.gz JXLJCFUQXQIASU-HNNXBMFYSA-N 2 0 320.393 0.953 20 5 DCBDRP C[NH+](C)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441176892 416662630 /nfs/dbraw/zinc/66/26/30/416662630.db2.gz AESWMDKXMKHXMM-CQSZACIVSA-N 2 0 311.386 0.426 20 5 DCBDRP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366279 667517137 /nfs/dbraw/zinc/51/71/37/667517137.db2.gz JHCWCTWJMSWQSA-CVEARBPZSA-N 2 0 320.393 0.608 20 5 DCBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000876966839 668544275 /nfs/dbraw/zinc/54/42/75/668544275.db2.gz XADUFBQKDWMFRY-ORHYLEIMSA-N 2 0 309.370 0.541 20 5 DCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032228 671087075 /nfs/dbraw/zinc/08/70/75/671087075.db2.gz DIQWIZKSGULZJT-XJKSGUPXSA-N 2 0 322.409 0.854 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H](O)C[NH3+])c1F ZINC001173177968 769556495 /nfs/dbraw/zinc/55/64/95/769556495.db2.gz YXGVMOXDDXGLTH-RKDXNWHRSA-N 2 0 301.318 0.583 20 5 DCBDRP O=[N+]([O-])c1cnc(NC[C@]2(F)CCCC[NH2+]C2)nc1C1C[NH2+]C1 ZINC001155123624 770406133 /nfs/dbraw/zinc/40/61/33/770406133.db2.gz BNGWQAXHJWRJPY-AWEZNQCLSA-N 2 0 324.360 0.965 20 5 DCBDRP CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@]1(C)CCC[NH2+]C1 ZINC001156975471 770988246 /nfs/dbraw/zinc/98/82/46/770988246.db2.gz CPGDZVNSBCTMHP-CQSZACIVSA-N 2 0 306.370 0.650 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])cnc1NC(=[NH2+])NCCCC[NH3+] ZINC001157093437 771532438 /nfs/dbraw/zinc/53/24/38/771532438.db2.gz AQGMUIAAXFXBCF-UHFFFAOYSA-N 2 0 310.314 0.452 20 5 DCBDRP [NH3+][C@@H]1CCc2nn(-c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)cc2C1 ZINC001157988002 771708047 /nfs/dbraw/zinc/70/80/47/771708047.db2.gz WMXHCRZCLKZFSE-SNVBAGLBSA-N 2 0 315.337 0.073 20 5 DCBDRP CC1(C)C[NH2+]C[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)O1 ZINC001161956605 772306784 /nfs/dbraw/zinc/30/67/84/772306784.db2.gz LOJYKAUDBXKBLX-SNVBAGLBSA-N 2 0 322.369 0.251 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc1C1C[NH2+]C1 ZINC001162804065 772420553 /nfs/dbraw/zinc/42/05/53/772420553.db2.gz ZOAZQXOXXCFBOZ-FBIMIBRVSA-N 2 0 302.338 0.258 20 5 DCBDRP C[C@@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164478003 772666309 /nfs/dbraw/zinc/66/63/09/772666309.db2.gz YRTMNMQOBVMRDJ-NXEZZACHSA-N 2 0 306.370 0.635 20 5 DCBDRP [NH3+]C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246583048 945435033 /nfs/dbraw/zinc/43/50/33/945435033.db2.gz IVFZHRQREQEARN-BLLLJJGKSA-N 2 0 320.393 0.815 20 5 DCBDRP C[NH+]1CCN(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254567414 946409270 /nfs/dbraw/zinc/40/92/70/946409270.db2.gz NPDCJNAVQMCTPS-OAHLLOKOSA-N 2 0 304.394 0.899 20 5 DCBDRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440985 253085085 /nfs/dbraw/zinc/08/50/85/253085085.db2.gz RXODBNFEBHVJSN-CABCVRRESA-N 2 0 323.397 0.570 20 5 DCBDRP CC[N@H+](C)C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420136 397057686 /nfs/dbraw/zinc/05/76/86/397057686.db2.gz MEKGSIVPOQOVSV-OCCSQVGLSA-N 2 0 323.397 0.789 20 5 DCBDRP Cc1c(C[NH2+][C@H]2CC(=O)N(C3C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC001579534296 1165340358 /nfs/dbraw/zinc/34/03/58/1165340358.db2.gz DIJAQNYNFIEIOP-LBPRGKRZSA-N 2 0 304.350 0.566 20 5 DCBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167884692 748461555 /nfs/dbraw/zinc/46/15/55/748461555.db2.gz ZPYCUHNQRMFADZ-UHFFFAOYSA-N 2 0 306.326 0.513 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001170785294 765768017 /nfs/dbraw/zinc/76/80/17/765768017.db2.gz WSWKMALDZBLQPL-WCQYABFASA-N 2 0 324.381 0.527 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@@H]([NH3+])CCC[NH3+])ccc1[N+](=O)[O-] ZINC001170900054 766250793 /nfs/dbraw/zinc/25/07/93/766250793.db2.gz HUHLAIJOJNEJGM-CQSZACIVSA-N 3 0 311.386 0.971 20 5 DCBDRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246420194 945406792 /nfs/dbraw/zinc/40/67/92/945406792.db2.gz XTBLPCAHIMGGRV-JSGCOSHPSA-N 2 0 306.366 0.635 20 5 DCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261826842 396070569 /nfs/dbraw/zinc/07/05/69/396070569.db2.gz BEKFGTBDCQMYSA-CYBMUJFWSA-N 2 0 306.366 0.882 20 5 DCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000262003172 396089140 /nfs/dbraw/zinc/08/91/40/396089140.db2.gz VLJWKYMHJOIASL-CYBMUJFWSA-N 2 0 306.366 0.882 20 5 DCBDRP CN1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883497 287220091 /nfs/dbraw/zinc/22/00/91/287220091.db2.gz BUBTXMLRBGPERC-LLVKDONJSA-N 2 0 306.370 0.965 20 5 DCBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349373 262369889 /nfs/dbraw/zinc/36/98/89/262369889.db2.gz OPXFXXONMNBRAX-AWEZNQCLSA-N 2 0 320.393 0.953 20 5 DCBDRP CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]CC1 ZINC000923336202 667510236 /nfs/dbraw/zinc/51/02/36/667510236.db2.gz RPHRNVOSKSGRQA-TZMCWYRMSA-N 2 0 311.386 0.616 20 5 DCBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC000923465729 667537556 /nfs/dbraw/zinc/53/75/56/667537556.db2.gz KISHUNDYQRVYPQ-LBPRGKRZSA-N 2 0 321.381 0.417 20 5 DCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000823124629 671370865 /nfs/dbraw/zinc/37/08/65/671370865.db2.gz OERLTZDTAOLFEF-UHFFFAOYSA-N 2 0 302.419 0.774 20 5 DCBDRP [NH3+][C@@H]1CCc2nn(-c3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])cc2C1 ZINC001168815965 760456595 /nfs/dbraw/zinc/45/65/95/760456595.db2.gz MPNAXMMTPRFSDX-SNVBAGLBSA-N 2 0 315.337 0.073 20 5 DCBDRP [NH3+][C@@H](CO)Cc1cncn1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169074547 760574310 /nfs/dbraw/zinc/57/43/10/760574310.db2.gz RBJXWKUQRMASHU-LLVKDONJSA-N 2 0 303.322 0.246 20 5 DCBDRP C[NH+](C)CCOc1cc(NC[C@@H]2COCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001170043003 761670288 /nfs/dbraw/zinc/67/02/88/761670288.db2.gz DBJPEOXYEODYBX-CYBMUJFWSA-N 2 0 324.381 0.936 20 5 DCBDRP [NH3+]CCOCCOCCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170511366 763454065 /nfs/dbraw/zinc/45/40/65/763454065.db2.gz PQBJZQAYMUDKNO-UHFFFAOYSA-N 2 0 310.354 0.602 20 5 DCBDRP CC(=O)N1CCc2cc(N[C@@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c21 ZINC001170902046 766251655 /nfs/dbraw/zinc/25/16/55/766251655.db2.gz AGIOMXWBMFYBJA-CYBMUJFWSA-N 2 0 307.354 0.939 20 5 DCBDRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573245 767082999 /nfs/dbraw/zinc/08/29/99/767082999.db2.gz NCHLSWVKRZNEFN-QWHCGFSZSA-N 2 0 309.366 0.876 20 5 DCBDRP C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001157283341 771576444 /nfs/dbraw/zinc/57/64/44/771576444.db2.gz URAWBUFLAYUAKZ-ZWNOBZJWSA-N 2 0 318.381 0.602 20 5 DCBDRP O=C(CCN1Cc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC001329491491 949637507 /nfs/dbraw/zinc/63/75/07/949637507.db2.gz TVJMDNAMHDMQHE-UHFFFAOYSA-N 2 0 304.350 0.732 20 5 DCBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000602797795 397487368 /nfs/dbraw/zinc/48/73/68/397487368.db2.gz KHTVVNCMORJDAY-UHFFFAOYSA-N 2 0 324.429 0.669 20 5 DCBDRP [NH3+]CCN(CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000342381529 415158614 /nfs/dbraw/zinc/15/86/14/415158614.db2.gz GBRNOTLJRWTBGG-UHFFFAOYSA-N 2 0 324.337 0.146 20 5 DCBDRP O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000570632857 417375784 /nfs/dbraw/zinc/37/57/84/417375784.db2.gz CGQUWXRNUZMDTB-UHFFFAOYSA-N 2 0 308.386 0.333 20 5 DCBDRP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382671 667521569 /nfs/dbraw/zinc/52/15/69/667521569.db2.gz DWXSPZWFMKGIEV-GXTWGEPZSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000923415173 667530409 /nfs/dbraw/zinc/53/04/09/667530409.db2.gz QLYYKJGUPVXDJZ-MRVWCRGKSA-N 2 0 309.370 0.226 20 5 DCBDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000923453074 667536698 /nfs/dbraw/zinc/53/66/98/667536698.db2.gz ZLSWDAFAQSCOFJ-CYBMUJFWSA-N 2 0 309.370 0.621 20 5 DCBDRP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001151113915 769265427 /nfs/dbraw/zinc/26/54/27/769265427.db2.gz AZIFTPREJJNAMH-UHFFFAOYSA-N 2 0 312.395 0.958 20 5 DCBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000591749379 396997333 /nfs/dbraw/zinc/99/73/33/396997333.db2.gz MPXXUTDZRWWWIP-YRGRVCCFSA-N 2 0 311.386 0.615 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000174875719 416088610 /nfs/dbraw/zinc/08/86/10/416088610.db2.gz NZMNXVMMKZXNHY-CYBMUJFWSA-N 2 0 309.370 0.445 20 5 DCBDRP C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000584049416 416494567 /nfs/dbraw/zinc/49/45/67/416494567.db2.gz ZPLBTHOBBXEQCK-BXUZGUMPSA-N 2 0 309.370 0.392 20 5 DCBDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000517231069 416787582 /nfs/dbraw/zinc/78/75/82/416787582.db2.gz PBIFBRONLWGEDL-YIZWMMSDSA-N 2 0 311.386 0.615 20 5 DCBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414870331 417310986 /nfs/dbraw/zinc/31/09/86/417310986.db2.gz SHDPCIZCQXYFRO-UHFFFAOYSA-N 2 0 308.382 0.988 20 5 DCBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CC[NH2+]CC2)n1 ZINC000423204632 262432896 /nfs/dbraw/zinc/43/28/96/262432896.db2.gz ODKNBRXRRHUXLC-UONOGXRCSA-N 2 0 322.413 0.770 20 5 DCBDRP CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923336200 667510405 /nfs/dbraw/zinc/51/04/05/667510405.db2.gz RPHRNVOSKSGRQA-JSGCOSHPSA-N 2 0 311.386 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000923357520 667513369 /nfs/dbraw/zinc/51/33/69/667513369.db2.gz XQJQYAYTAQQJSI-ZIAGYGMSSA-N 2 0 309.370 0.228 20 5 DCBDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001580259705 1165550028 /nfs/dbraw/zinc/55/00/28/1165550028.db2.gz DSBGADAJLZSDCY-PZTHBURQSA-N 2 0 309.366 0.706 20 5 DCBDRP O=[N+]([O-])c1c(NC[C@]2(F)CCCC[NH2+]C2)ncnc1C1C[NH2+]C1 ZINC001162579613 772394947 /nfs/dbraw/zinc/39/49/47/772394947.db2.gz FXBAJOUVNKJZSB-AWEZNQCLSA-N 2 0 324.360 0.965 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)N(CC[NH3+])CC[NH3+])c1F ZINC001246834362 945500478 /nfs/dbraw/zinc/50/04/78/945500478.db2.gz UFADPDBBHUWNAQ-JTQLQIEISA-N 2 0 314.361 0.893 20 5 DCBDRP CC(C)C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001336832274 952773048 /nfs/dbraw/zinc/77/30/48/952773048.db2.gz WHEFHCPGWQCTRN-STQMWFEESA-N 2 0 300.403 0.430 20 5 DCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000261826850 396070512 /nfs/dbraw/zinc/07/05/12/396070512.db2.gz BEKFGTBDCQMYSA-ZDUSSCGKSA-N 2 0 306.366 0.882 20 5 DCBDRP CC[NH+]1CCC(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314886871 396785817 /nfs/dbraw/zinc/78/58/17/396785817.db2.gz ZUYAQZFQATTYQX-AWEZNQCLSA-N 2 0 311.386 0.474 20 5 DCBDRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317523 397156092 /nfs/dbraw/zinc/15/60/92/397156092.db2.gz LRMFDGTZGXDCEJ-TZMCWYRMSA-N 2 0 311.386 0.474 20 5 DCBDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCn1ccc([N+](=O)[O-])n1 ZINC000182966696 416235203 /nfs/dbraw/zinc/23/52/03/416235203.db2.gz HJFHIDZHYDHRFW-UHFFFAOYSA-N 2 0 310.402 0.361 20 5 DCBDRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1[N+](=O)[O-] ZINC000262279311 662294511 /nfs/dbraw/zinc/29/45/11/662294511.db2.gz ZCFQKIPTPSWRLX-UHFFFAOYSA-N 2 0 306.366 0.849 20 5 DCBDRP CC[NH2+]CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000923294835 667498624 /nfs/dbraw/zinc/49/86/24/667498624.db2.gz OBRCYFWVCKPGGS-CQSZACIVSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923329142 667506114 /nfs/dbraw/zinc/50/61/14/667506114.db2.gz PBJWVSFDJNVOTD-NWANDNLSSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CC4(C[NH2+]C4)CO3)CC2)n1 ZINC000923372141 667518433 /nfs/dbraw/zinc/51/84/33/667518433.db2.gz DQTWQLVEIFTIKM-CYBMUJFWSA-N 2 0 321.381 0.807 20 5 DCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032003 671086851 /nfs/dbraw/zinc/08/68/51/671086851.db2.gz BEWYWPHZMZUTMP-CJNGLKHVSA-N 2 0 322.409 0.854 20 5 DCBDRP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151096836 771442275 /nfs/dbraw/zinc/44/22/75/771442275.db2.gz HFJRCRPQOSIQST-UHFFFAOYSA-N 2 0 306.366 0.896 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc1C1C[NH2+]C1 ZINC001162804064 772420491 /nfs/dbraw/zinc/42/04/91/772420491.db2.gz ZOAZQXOXXCFBOZ-DVVUODLYSA-N 2 0 302.338 0.258 20 5 DCBDRP CC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165069741 772693245 /nfs/dbraw/zinc/69/32/45/772693245.db2.gz SCGROLVQTDTKAL-UHFFFAOYSA-N 2 0 320.397 0.992 20 5 DCBDRP [NH3+]CCNCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246405354 945404694 /nfs/dbraw/zinc/40/46/94/945404694.db2.gz NNXHYJGYMARQTP-UHFFFAOYSA-N 2 0 307.398 0.702 20 5 DCBDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246511404 945424977 /nfs/dbraw/zinc/42/49/77/945424977.db2.gz INLNCXXTZONKBS-HIFRSBDPSA-N 2 0 320.393 0.895 20 5 DCBDRP C[NH+]1CCC(O)(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001338492641 953021151 /nfs/dbraw/zinc/02/11/51/953021151.db2.gz VXZZCOLIKWYQSE-CQSZACIVSA-N 2 0 309.366 0.675 20 5 DCBDRP COc1cc(C[NH2+]CCN2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000414866220 417310030 /nfs/dbraw/zinc/31/00/30/417310030.db2.gz MPHJRBNTHHJYGB-UHFFFAOYSA-N 2 0 324.381 0.607 20 5 DCBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349113 262370207 /nfs/dbraw/zinc/37/02/07/262370207.db2.gz NUJHAQPEARCJDE-OAHLLOKOSA-N 2 0 320.393 0.953 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@H]1C[NH+](C)C ZINC000866010572 667360176 /nfs/dbraw/zinc/36/01/76/667360176.db2.gz MEOSOVDGSGAXQW-VXGBXAGGSA-N 2 0 323.397 0.871 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364136 667516356 /nfs/dbraw/zinc/51/63/56/667516356.db2.gz JOXFLNSKTYXZFW-CABCVRRESA-N 2 0 323.397 0.616 20 5 DCBDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001168981149 760528251 /nfs/dbraw/zinc/52/82/51/760528251.db2.gz GLTKDJOBUTVJEI-ODXJTPSBSA-N 2 0 301.387 0.746 20 5 DCBDRP CC(C)(C)[C@H](C[NH3+])Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160912584 772137195 /nfs/dbraw/zinc/13/71/95/772137195.db2.gz RINVVERPLVEAFT-JTQLQIEISA-N 2 0 323.401 0.580 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000562988457 396691122 /nfs/dbraw/zinc/69/11/22/396691122.db2.gz NUYQDBRWFAGIFT-OAHLLOKOSA-N 2 0 323.397 0.616 20 5 DCBDRP CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000120763088 415781404 /nfs/dbraw/zinc/78/14/04/415781404.db2.gz GTWRYOIZPRXMKZ-VBROQKIQSA-N 2 0 304.350 0.709 20 5 DCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420465307 262374568 /nfs/dbraw/zinc/37/45/68/262374568.db2.gz YPOBPSMMGMFIRQ-UHFFFAOYSA-N 2 0 316.383 0.283 20 5 DCBDRP O=[N+]([O-])c1cc2c(cc1CN1CC[NH2+]CC[NH2+]CC1)OCCO2 ZINC000904399091 663512304 /nfs/dbraw/zinc/51/23/04/663512304.db2.gz ZJMPDNIHSMKBHS-UHFFFAOYSA-N 2 0 322.365 0.361 20 5 DCBDRP CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]CC1 ZINC000923336199 667510176 /nfs/dbraw/zinc/51/01/76/667510176.db2.gz RPHRNVOSKSGRQA-GXTWGEPZSA-N 2 0 311.386 0.616 20 5 DCBDRP O=[N+]([O-])c1cc2c(cc1N[C@H]1COCCC13C[NH2+]C3)C[NH2+]C2 ZINC001163074751 772454663 /nfs/dbraw/zinc/45/46/63/772454663.db2.gz ZEUXFRWBYMNAMV-AWEZNQCLSA-N 2 0 304.350 0.988 20 5 DCBDRP [NH3+]CCN(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N(O)N=O ZINC001254584623 946412059 /nfs/dbraw/zinc/41/20/59/946412059.db2.gz IHQAHQGUSRRYSH-GFCCVEGCSA-N 2 0 324.341 0.200 20 5 DCBDRP C[NH+]1CCC(O)(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001331725805 951270349 /nfs/dbraw/zinc/27/03/49/951270349.db2.gz PETSVROMWUZKET-UHFFFAOYSA-N 2 0 309.370 0.541 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCCn2ccnc2)c1 ZINC000315634832 291253399 /nfs/dbraw/zinc/25/33/99/291253399.db2.gz VKVBVQGZTOZVKX-CYBMUJFWSA-N 2 0 308.342 0.419 20 5 DCBDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790822 396084092 /nfs/dbraw/zinc/08/40/92/396084092.db2.gz LDYQZUZGICDJAU-SNPRPXQTSA-N 2 0 323.397 0.568 20 5 DCBDRP O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]CC1 ZINC000581245803 396536854 /nfs/dbraw/zinc/53/68/54/396536854.db2.gz YNUYRRFNZVJEHQ-HNNXBMFYSA-N 2 0 318.377 0.994 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000316757124 396797397 /nfs/dbraw/zinc/79/73/97/396797397.db2.gz JUMMEQRJXASWCQ-MBNYWOFBSA-N 2 0 309.370 0.369 20 5 DCBDRP CN1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000363883498 287220035 /nfs/dbraw/zinc/22/00/35/287220035.db2.gz BUBTXMLRBGPERC-NSHDSACASA-N 2 0 306.370 0.965 20 5 DCBDRP COC(=O)COc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000414887391 417313281 /nfs/dbraw/zinc/31/32/81/417313281.db2.gz DLVKNSJRNHXRJG-SNVBAGLBSA-N 2 0 311.338 0.974 20 5 DCBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032225 671087045 /nfs/dbraw/zinc/08/70/45/671087045.db2.gz DIQWIZKSGULZJT-BBRMVZONSA-N 2 0 322.409 0.854 20 5 DCBDRP C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC2(CC[NH2+]CC2)O1 ZINC001576807233 1164470326 /nfs/dbraw/zinc/47/03/26/1164470326.db2.gz OJUAPCQOBIZDKN-LBPRGKRZSA-N 2 0 309.370 0.634 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H]1C[NH+](C)C ZINC001635581602 1171708766 /nfs/dbraw/zinc/70/87/66/1171708766.db2.gz HMBIMAIUZLUTDX-VXGBXAGGSA-N 2 0 323.397 0.734 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H](O)C[NH3+])c1F ZINC001173177966 769555445 /nfs/dbraw/zinc/55/54/45/769555445.db2.gz YXGVMOXDDXGLTH-DTWKUNHWSA-N 2 0 301.318 0.583 20 5 DCBDRP C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@@H]21 ZINC001157283338 771576347 /nfs/dbraw/zinc/57/63/47/771576347.db2.gz URAWBUFLAYUAKZ-GWCFXTLKSA-N 2 0 318.381 0.602 20 5 DCBDRP C[C@@H]1[C@H]([NH3+])CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157732532 771660628 /nfs/dbraw/zinc/66/06/28/771660628.db2.gz JXIHZAPOTYORBX-GHMZBOCLSA-N 2 0 321.385 0.110 20 5 DCBDRP C[C@H]1CC[C@H](C[NH3+])CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164478005 772666316 /nfs/dbraw/zinc/66/63/16/772666316.db2.gz YRTMNMQOBVMRDJ-VHSXEESVSA-N 2 0 306.370 0.635 20 5 DCBDRP C[C@H]1CC[C@@H](C[NH3+])CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164478004 772666503 /nfs/dbraw/zinc/66/65/03/772666503.db2.gz YRTMNMQOBVMRDJ-UWVGGRQHSA-N 2 0 306.370 0.635 20 5 DCBDRP CC(C)(O)C[NH+]1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000602567496 397441234 /nfs/dbraw/zinc/44/12/34/397441234.db2.gz DXMRXAQLMYDXKB-UHFFFAOYSA-N 2 0 311.386 0.616 20 5 DCBDRP Cn1cnc([N+](=O)[O-])c1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012836 667360309 /nfs/dbraw/zinc/36/03/09/667360309.db2.gz RRHGSQWXVXNWGC-VXGBXAGGSA-N 2 0 310.402 0.504 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923363583 667515898 /nfs/dbraw/zinc/51/58/98/667515898.db2.gz CWHVBEWVWZJLSX-NWANDNLSSA-N 2 0 323.397 0.616 20 5 DCBDRP C[NH+](C)CCOc1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170785293 765767304 /nfs/dbraw/zinc/76/73/04/765767304.db2.gz WSWKMALDZBLQPL-DGCLKSJQSA-N 2 0 324.381 0.527 20 5 DCBDRP C[C@H](C[NH+](C)C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155914683 770655942 /nfs/dbraw/zinc/65/59/42/770655942.db2.gz LDAAGKWJUOXGTC-SNVBAGLBSA-N 2 0 309.374 0.156 20 5 DCBDRP O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)N1 ZINC001163249678 772490613 /nfs/dbraw/zinc/49/06/13/772490613.db2.gz LEWVNEACYSJWGB-JSGCOSHPSA-N 2 0 303.322 0.188 20 5 DCBDRP [NH3+]C1CC2(C1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2 ZINC001165245595 772710166 /nfs/dbraw/zinc/71/01/66/772710166.db2.gz VQVSFFMGOLTNOA-UHFFFAOYSA-N 2 0 318.381 0.779 20 5 DCBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F)C2 ZINC001246080148 945335317 /nfs/dbraw/zinc/33/53/17/945335317.db2.gz GIHTXRVVCJBDQX-AEGPPILISA-N 2 0 309.341 0.714 20 5 DCBDRP NC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246420195 945407542 /nfs/dbraw/zinc/40/75/42/945407542.db2.gz XTBLPCAHIMGGRV-OCCSQVGLSA-N 2 0 306.366 0.635 20 5 DCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000262023213 396091613 /nfs/dbraw/zinc/09/16/13/396091613.db2.gz XVOQZDZOFNBYGN-ZDUSSCGKSA-N 2 0 306.366 0.882 20 5 DCBDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317521 397155386 /nfs/dbraw/zinc/15/53/86/397155386.db2.gz LRMFDGTZGXDCEJ-JSGCOSHPSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923428785 667531574 /nfs/dbraw/zinc/53/15/74/667531574.db2.gz RFWVQJMLASWNQK-LSDHHAIUSA-N 2 0 323.397 0.618 20 5 DCBDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817945561 670955898 /nfs/dbraw/zinc/95/58/98/670955898.db2.gz GIIQJKIGYIMBSF-JTQLQIEISA-N 2 0 307.354 0.259 20 5 DCBDRP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578480195 1165032585 /nfs/dbraw/zinc/03/25/85/1165032585.db2.gz AFKDVNXPSXVNRM-CYBMUJFWSA-N 2 0 319.361 0.974 20 5 DCBDRP O=[N+]([O-])c1cnc(NC[C@@]2(F)CCCC[NH2+]C2)nc1C1C[NH2+]C1 ZINC001155123625 770406547 /nfs/dbraw/zinc/40/65/47/770406547.db2.gz BNGWQAXHJWRJPY-CQSZACIVSA-N 2 0 324.360 0.965 20 5 DCBDRP [NH3+]CCN(c1cccnc1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001158006881 771710902 /nfs/dbraw/zinc/71/09/02/771710902.db2.gz ICXQOSLOPHAXIQ-UHFFFAOYSA-N 2 0 315.337 0.563 20 5 DCBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F)C2 ZINC001246080304 945334794 /nfs/dbraw/zinc/33/47/94/945334794.db2.gz GIHTXRVVCJBDQX-VHDGCEQUSA-N 2 0 309.341 0.714 20 5 DCBDRP O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH2+]CC1 ZINC000581245804 396536680 /nfs/dbraw/zinc/53/66/80/396536680.db2.gz YNUYRRFNZVJEHQ-OAHLLOKOSA-N 2 0 318.377 0.994 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000316757130 396797828 /nfs/dbraw/zinc/79/78/28/396797828.db2.gz JUMMEQRJXASWCQ-SGMGOOAPSA-N 2 0 309.370 0.369 20 5 DCBDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000177026319 416139270 /nfs/dbraw/zinc/13/92/70/416139270.db2.gz BMUJUQBWSGXSDH-AWEZNQCLSA-N 2 0 322.413 0.503 20 5 DCBDRP C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000584049417 416494288 /nfs/dbraw/zinc/49/42/88/416494288.db2.gz ZPLBTHOBBXEQCK-FZMZJTMJSA-N 2 0 309.370 0.392 20 5 DCBDRP C[NH2+]CCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000923326642 667508952 /nfs/dbraw/zinc/50/89/52/667508952.db2.gz HQENGKYLQXSPCS-CQSZACIVSA-N 2 0 311.386 0.474 20 5 DCBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC000923465728 667537852 /nfs/dbraw/zinc/53/78/52/667537852.db2.gz KISHUNDYQRVYPQ-GFCCVEGCSA-N 2 0 321.381 0.417 20 5 DCBDRP O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn(C3C[NH2+]C3)nn2)cc1 ZINC001580874581 1165747358 /nfs/dbraw/zinc/74/73/58/1165747358.db2.gz BYMKPNFDJLDOHC-UHFFFAOYSA-N 2 0 302.338 0.663 20 5 DCBDRP C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001165037872 721899735 /nfs/dbraw/zinc/89/97/35/721899735.db2.gz MVVGDVJAGQTSPS-LLVKDONJSA-N 2 0 306.370 0.602 20 5 DCBDRP C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001165037873 721899795 /nfs/dbraw/zinc/89/97/95/721899795.db2.gz MVVGDVJAGQTSPS-NSHDSACASA-N 2 0 306.370 0.602 20 5 DCBDRP O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001147977667 767890912 /nfs/dbraw/zinc/89/09/12/767890912.db2.gz UQAYAKLRHQDGPQ-UHFFFAOYSA-N 2 0 318.377 0.896 20 5 DCBDRP C[NH2+]CCN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(C)(C)C ZINC001157835531 771678471 /nfs/dbraw/zinc/67/84/71/771678471.db2.gz DPRRHFGYOJYXBS-UHFFFAOYSA-N 2 0 308.386 0.896 20 5 DCBDRP O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)N1 ZINC001163249676 772490575 /nfs/dbraw/zinc/49/05/75/772490575.db2.gz LEWVNEACYSJWGB-GXTWGEPZSA-N 2 0 303.322 0.188 20 5 DCBDRP COC(=O)C1(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC[NH2+]CC1 ZINC001166954269 772888490 /nfs/dbraw/zinc/88/84/90/772888490.db2.gz FWXKWPGDMFKRTA-UHFFFAOYSA-N 2 0 320.349 0.905 20 5 DCBDRP C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000315026150 396787918 /nfs/dbraw/zinc/78/79/18/396787918.db2.gz LVXYSGKIXBJKFT-TZMCWYRMSA-N 2 0 311.386 0.474 20 5 DCBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCC[NH+](C)C1 ZINC000304321528 261174009 /nfs/dbraw/zinc/17/40/09/261174009.db2.gz QMYFTYLABOJWKZ-JSGCOSHPSA-N 2 0 311.386 0.426 20 5 DCBDRP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382684 667521730 /nfs/dbraw/zinc/52/17/30/667521730.db2.gz DWXSPZWFMKGIEV-TZMCWYRMSA-N 2 0 323.397 0.616 20 5 DCBDRP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000931435764 669203788 /nfs/dbraw/zinc/20/37/88/669203788.db2.gz NQFGNHHLYGTZIT-MBNYWOFBSA-N 2 0 309.370 0.036 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000579583805 397581843 /nfs/dbraw/zinc/58/18/43/397581843.db2.gz MQUKJRXMCUXCES-HNNXBMFYSA-N 2 0 323.397 0.759 20 5 DCBDRP C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000584049418 416495337 /nfs/dbraw/zinc/49/53/37/416495337.db2.gz ZPLBTHOBBXEQCK-RISCZKNCSA-N 2 0 309.370 0.392 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923358325 667513537 /nfs/dbraw/zinc/51/35/37/667513537.db2.gz YFUUCMWDHDGWMR-UKRRQHHQSA-N 2 0 323.397 0.474 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cn2)C[C@H]1C[NH+](C)C ZINC001336703866 952755969 /nfs/dbraw/zinc/75/59/69/952755969.db2.gz WMIPCOKKHSPLCR-VXGBXAGGSA-N 2 0 322.413 0.748 20 5 DCBDRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000162790685 396084285 /nfs/dbraw/zinc/08/42/85/396084285.db2.gz LDYQZUZGICDJAU-QEJZJMRPSA-N 2 0 323.397 0.568 20 5 DCBDRP C[NH+](C)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000441176890 416663682 /nfs/dbraw/zinc/66/36/82/416663682.db2.gz AESWMDKXMKHXMM-AWEZNQCLSA-N 2 0 311.386 0.426 20 5 DCBDRP CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000923327353 667509592 /nfs/dbraw/zinc/50/95/92/667509592.db2.gz OTLNKSANGAFCDQ-AWEZNQCLSA-N 2 0 311.386 0.616 20 5 DCBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCNCC[NH2+]CC1 ZINC000923465731 667537888 /nfs/dbraw/zinc/53/78/88/667537888.db2.gz KLNMKXQIHNUYIZ-UHFFFAOYSA-N 2 0 321.381 0.337 20 5 DCBDRP O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515626 667551622 /nfs/dbraw/zinc/55/16/22/667551622.db2.gz IRRMNLXUZZBHQF-BFHYXJOUSA-N 2 0 321.377 0.876 20 5 DCBDRP C[NH+](C)CCN1CC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC1=O ZINC001169040099 760556172 /nfs/dbraw/zinc/55/61/72/760556172.db2.gz XWQZSGMVNYZUMJ-KGLIPLIRSA-N 2 0 312.414 0.528 20 5 DCBDRP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317119727 944807221 /nfs/dbraw/zinc/80/72/21/944807221.db2.gz XFGSNRJHZUZBAB-PHIMTYICSA-N 2 0 324.385 0.017 20 5 DCBDRP Cc1nn(C)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000866012972 667360205 /nfs/dbraw/zinc/36/02/05/667360205.db2.gz YHPGBEIRAWIYBD-CHWSQXEVSA-N 2 0 324.429 0.812 20 5 DCBDRP C[C@@H]1[C@@H]([NH3+])CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157732533 771660928 /nfs/dbraw/zinc/66/09/28/771660928.db2.gz JXIHZAPOTYORBX-MNOVXSKESA-N 2 0 321.385 0.110 20 5 DCBDRP [NH3+][C@H]1CCc2nn(-c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)cc2C1 ZINC001157988001 771708250 /nfs/dbraw/zinc/70/82/50/771708250.db2.gz WMXHCRZCLKZFSE-JTQLQIEISA-N 2 0 315.337 0.073 20 5 DCBDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001346110765 953801943 /nfs/dbraw/zinc/80/19/43/953801943.db2.gz TVDXDJGXVDEGGX-OAHLLOKOSA-N 2 0 308.382 0.465 20 5 DCBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H](O)CN(C)C ZINC000154300293 396036126 /nfs/dbraw/zinc/03/61/26/396036126.db2.gz RMCBCHFNDRGBBU-BXUZGUMPSA-N 2 0 324.381 0.824 20 5 DCBDRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000262003175 396089399 /nfs/dbraw/zinc/08/93/99/396089399.db2.gz VLJWKYMHJOIASL-ZDUSSCGKSA-N 2 0 306.366 0.882 20 5 DCBDRP C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CC[NH2+]CC1 ZINC000592472269 397185939 /nfs/dbraw/zinc/18/59/39/397185939.db2.gz QOOALTOCOYFECI-UHFFFAOYSA-N 2 0 308.382 0.811 20 5 DCBDRP CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(N(C)CC[NH+](C)C)n1 ZINC000192325969 416302659 /nfs/dbraw/zinc/30/26/59/416302659.db2.gz OOZANNCNXJXDDK-UHFFFAOYSA-N 2 0 324.429 0.985 20 5 DCBDRP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000923366280 667517315 /nfs/dbraw/zinc/51/73/15/667517315.db2.gz JHCWCTWJMSWQSA-HOTGVXAUSA-N 2 0 320.393 0.608 20 5 DCBDRP CN1CCc2c(NC[C@H]3COCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001170048115 761690233 /nfs/dbraw/zinc/69/02/33/761690233.db2.gz VPIUOVZXCPCXIM-NSHDSACASA-N 2 0 306.366 0.983 20 5 DCBDRP CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001165093450 772694207 /nfs/dbraw/zinc/69/42/07/772694207.db2.gz ICCJPPKEUYCWLX-UHFFFAOYSA-N 2 0 320.397 0.992 20 5 DCBDRP C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]2C1 ZINC001165151500 772701726 /nfs/dbraw/zinc/70/17/26/772701726.db2.gz SCEXWJIOUWTMRA-PHIMTYICSA-N 2 0 304.354 0.069 20 5 DCBDRP COc1cc(N2CCC([NH2+]C[C@H](O)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256084320 946583205 /nfs/dbraw/zinc/58/32/05/946583205.db2.gz ZITNHAQRACTQEY-CYBMUJFWSA-N 2 0 324.381 0.481 20 5 DCBDRP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CC[NH2+]CC1 ZINC000592471997 397186003 /nfs/dbraw/zinc/18/60/03/397186003.db2.gz CBICBQIGGFMGKG-UHFFFAOYSA-N 2 0 308.382 0.811 20 5 DCBDRP CCC[NH+]1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000314843698 261174226 /nfs/dbraw/zinc/17/42/26/261174226.db2.gz VPZJKVAGAAXORK-AWEZNQCLSA-N 2 0 311.386 0.616 20 5 DCBDRP COc1c(O)c(CN2CC[NH2+]CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000904396912 663511522 /nfs/dbraw/zinc/51/15/22/663511522.db2.gz SODVMWHRHBUDET-UHFFFAOYSA-N 2 0 310.354 0.304 20 5 DCBDRP O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515627 667551881 /nfs/dbraw/zinc/55/18/81/667551881.db2.gz IRRMNLXUZZBHQF-MJBXVCDLSA-N 2 0 321.377 0.876 20 5 DCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032226 671086906 /nfs/dbraw/zinc/08/69/06/671086906.db2.gz DIQWIZKSGULZJT-CJNGLKHVSA-N 2 0 322.409 0.854 20 5 DCBDRP C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)[C@H]3CC[NH2+]3)c2)CC1 ZINC001578536624 1165050054 /nfs/dbraw/zinc/05/00/54/1165050054.db2.gz CRTBOADUHYJYPT-GFCCVEGCSA-N 2 0 319.365 0.647 20 5 DCBDRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001164636507 719257915 /nfs/dbraw/zinc/25/79/15/719257915.db2.gz TYIOLQJKBUAANP-VHSXEESVSA-N 2 0 306.370 0.600 20 5 DCBDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001168981148 760528301 /nfs/dbraw/zinc/52/83/01/760528301.db2.gz GLTKDJOBUTVJEI-DHGKCCLASA-N 2 0 301.387 0.746 20 5 DCBDRP [NH3+]CCCOCCOCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168974641 760536886 /nfs/dbraw/zinc/53/68/86/760536886.db2.gz RPYNTMDSVSGGCW-KGLIPLIRSA-N 2 0 303.403 0.794 20 5 DCBDRP CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C(C)(C)C1 ZINC001158569810 771791529 /nfs/dbraw/zinc/79/15/29/771791529.db2.gz YXYBHGFMVKKUBM-UHFFFAOYSA-N 2 0 320.397 0.992 20 5 DCBDRP C[N@@H+]1CCC[C@@H]1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160969489 772144273 /nfs/dbraw/zinc/14/42/73/772144273.db2.gz ZKCVUUCRNDQTDU-LLVKDONJSA-N 2 0 306.370 0.968 20 5 DCBDRP C[NH+](C)C[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001165074594 772693829 /nfs/dbraw/zinc/69/38/29/772693829.db2.gz NNSUCMJCLIONFQ-LLVKDONJSA-N 2 0 306.370 0.602 20 5 DCBDRP C[NH+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]2C1 ZINC001165151498 772701643 /nfs/dbraw/zinc/70/16/43/772701643.db2.gz SCEXWJIOUWTMRA-GHMZBOCLSA-N 2 0 304.354 0.069 20 5 DCBDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001338420635 953009458 /nfs/dbraw/zinc/00/94/58/953009458.db2.gz XCBPIHCAOGYLBP-HNNXBMFYSA-N 2 0 308.382 0.293 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001339911977 953130211 /nfs/dbraw/zinc/13/02/11/953130211.db2.gz AWPZUWDKPUXUCC-CQSZACIVSA-N 2 0 323.397 0.618 20 5 DCBDRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440989 253084893 /nfs/dbraw/zinc/08/48/93/253084893.db2.gz RXODBNFEBHVJSN-LSDHHAIUSA-N 2 0 323.397 0.570 20 5 DCBDRP CN(CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](C)CC1 ZINC000089269229 415523015 /nfs/dbraw/zinc/52/30/15/415523015.db2.gz IYCDPXQJKSRATE-UHFFFAOYSA-N 2 0 324.429 0.749 20 5 DCBDRP C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000584049419 416495982 /nfs/dbraw/zinc/49/59/82/416495982.db2.gz ZPLBTHOBBXEQCK-SMDDNHRTSA-N 2 0 309.370 0.392 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000157947063 527414449 /nfs/dbraw/zinc/41/44/49/527414449.db2.gz ZWLVDVPMAZCZSZ-UHFFFAOYSA-N 2 0 323.397 0.836 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364139 667516264 /nfs/dbraw/zinc/51/62/64/667516264.db2.gz JOXFLNSKTYXZFW-LSDHHAIUSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000923361879 667519372 /nfs/dbraw/zinc/51/93/72/667519372.db2.gz IGUVWMDZGRSAFJ-VNHYZAJKSA-N 2 0 323.397 0.474 20 5 DCBDRP O=C(CN1CCNCC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000923465444 667537901 /nfs/dbraw/zinc/53/79/01/667537901.db2.gz DPOFSCJZABXRFO-UHFFFAOYSA-N 2 0 307.354 0.028 20 5 DCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819032004 671086840 /nfs/dbraw/zinc/08/68/40/671086840.db2.gz BEWYWPHZMZUTMP-CZUORRHYSA-N 2 0 322.409 0.854 20 5 DCBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819032227 671087105 /nfs/dbraw/zinc/08/71/05/671087105.db2.gz DIQWIZKSGULZJT-CZUORRHYSA-N 2 0 322.409 0.854 20 5 DCBDRP C[C@@H]1C[C@H](C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC001576599886 1164408479 /nfs/dbraw/zinc/40/84/79/1164408479.db2.gz YECNCIIZWJBYBZ-CZPYZCIJSA-N 2 0 323.393 0.967 20 5 DCBDRP C[C@@H]1C[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[NH2+]1 ZINC001155101560 770398848 /nfs/dbraw/zinc/39/88/48/770398848.db2.gz ZCHALTOQDLTOIS-GHMZBOCLSA-N 2 0 321.385 0.204 20 5 DCBDRP O=[N+]([O-])c1cnc(N2CCC3(C[NH2+]C3)CC2)nc1C1C[NH2+]C1 ZINC001159050681 771852799 /nfs/dbraw/zinc/85/27/99/771852799.db2.gz DMISMWIWYXCMTC-UHFFFAOYSA-N 2 0 304.354 0.261 20 5 DCBDRP COc1cc(N2CCC([NH2+]C[C@@H](O)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256084321 946584568 /nfs/dbraw/zinc/58/45/68/946584568.db2.gz ZITNHAQRACTQEY-ZDUSSCGKSA-N 2 0 324.381 0.481 20 5 DCBDRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000339440988 253085247 /nfs/dbraw/zinc/08/52/47/253085247.db2.gz RXODBNFEBHVJSN-HUUCEWRRSA-N 2 0 323.397 0.570 20 5 DCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000262023209 396090529 /nfs/dbraw/zinc/09/05/29/396090529.db2.gz XVOQZDZOFNBYGN-CYBMUJFWSA-N 2 0 306.366 0.882 20 5 DCBDRP CC[N@H+](C)C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000572420137 397057641 /nfs/dbraw/zinc/05/76/41/397057641.db2.gz MEKGSIVPOQOVSV-TZMCWYRMSA-N 2 0 323.397 0.789 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000174875706 416089110 /nfs/dbraw/zinc/08/91/10/416089110.db2.gz NZMNXVMMKZXNHY-ZDUSSCGKSA-N 2 0 309.370 0.445 20 5 DCBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CC[NH2+]CC2)n1 ZINC000423204631 262432716 /nfs/dbraw/zinc/43/27/16/262432716.db2.gz ODKNBRXRRHUXLC-KGLIPLIRSA-N 2 0 322.413 0.770 20 5 DCBDRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000420455985 271371098 /nfs/dbraw/zinc/37/10/98/271371098.db2.gz MWMMVAFTSSYYEK-UHFFFAOYSA-N 2 0 316.383 0.283 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923361870 667519553 /nfs/dbraw/zinc/51/95/53/667519553.db2.gz IGUVWMDZGRSAFJ-GZBFAFLISA-N 2 0 323.397 0.474 20 5 DCBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839689708 668130853 /nfs/dbraw/zinc/13/08/53/668130853.db2.gz RKGMEWIUJBVRGS-CHWSQXEVSA-N 2 0 300.403 0.384 20 5 DCBDRP Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713958988 1181173262 /nfs/dbraw/zinc/17/32/62/1181173262.db2.gz XFGSNRJHZUZBAB-XYPYZODXSA-N 2 0 324.385 0.017 20 5 DCBDRP CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170872867 766178638 /nfs/dbraw/zinc/17/86/38/766178638.db2.gz WBFXRGGLEQWWTE-DGCLKSJQSA-N 2 0 320.349 0.761 20 5 DCBDRP [NH3+][C@@H]1CCC[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001154978660 770357785 /nfs/dbraw/zinc/35/77/85/770357785.db2.gz SUARVPXKHLFDKT-MNOVXSKESA-N 2 0 321.385 0.476 20 5 DCBDRP C[C@@H]1CC[C@H](C[NH3+])N(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164074882 772610485 /nfs/dbraw/zinc/61/04/85/772610485.db2.gz ANVXKRPUMNCFKM-MWLCHTKSSA-N 2 0 306.370 0.635 20 5 DCBDRP C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001335369819 952527027 /nfs/dbraw/zinc/52/70/27/952527027.db2.gz YOLGOEXAUADZJG-BBRMVZONSA-N 2 0 322.409 0.854 20 5 DCBDRP CN1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000579812678 397593314 /nfs/dbraw/zinc/59/33/14/397593314.db2.gz VSGRFPHPQDAALS-AWEZNQCLSA-N 2 0 321.381 0.422 20 5 DCBDRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000261818060 158741777 /nfs/dbraw/zinc/74/17/77/158741777.db2.gz WJBPGROUCABOFS-CQSZACIVSA-N 2 0 320.393 0.924 20 5 DCBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420348160 287293899 /nfs/dbraw/zinc/29/38/99/287293899.db2.gz JXLJCFUQXQIASU-OAHLLOKOSA-N 2 0 320.393 0.953 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000923361873 667519520 /nfs/dbraw/zinc/51/95/20/667519520.db2.gz IGUVWMDZGRSAFJ-KCQAQPDRSA-N 2 0 323.397 0.474 20 5 DCBDRP C[NH+]1CCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877143888 668566649 /nfs/dbraw/zinc/56/66/49/668566649.db2.gz XDZKCXUKMFUSNO-UHFFFAOYSA-N 2 0 322.413 0.722 20 5 DCBDRP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001580259703 1165550445 /nfs/dbraw/zinc/55/04/45/1165550445.db2.gz DSBGADAJLZSDCY-DZGBDDFRSA-N 2 0 309.366 0.706 20 5 DCBDRP CN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001165044100 721939515 /nfs/dbraw/zinc/93/95/15/721939515.db2.gz IGFICLWGXUCUKZ-UHFFFAOYSA-N 2 0 320.397 0.850 20 5 DCBDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001168981150 760528668 /nfs/dbraw/zinc/52/86/68/760528668.db2.gz GLTKDJOBUTVJEI-RYMFRWLXSA-N 2 0 301.387 0.746 20 5 DCBDRP [NH3+][C@@H]1CCC[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001154978659 770358203 /nfs/dbraw/zinc/35/82/03/770358203.db2.gz SUARVPXKHLFDKT-GHMZBOCLSA-N 2 0 321.385 0.476 20 5 DCBDRP CC(C)N1CC(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001157526732 771625999 /nfs/dbraw/zinc/62/59/99/771625999.db2.gz YVCOOICXZOYQEH-UHFFFAOYSA-N 2 0 321.385 0.299 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc1C1C[NH2+]C1 ZINC001162804066 772420660 /nfs/dbraw/zinc/42/06/60/772420660.db2.gz ZOAZQXOXXCFBOZ-INTQDDNPSA-N 2 0 302.338 0.258 20 5 DCBDRP C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225542453 775692201 /nfs/dbraw/zinc/69/22/01/775692201.db2.gz DTHQOKOFJPDWSA-GFCCVEGCSA-N 2 0 310.374 0.548 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000923415175 667530366 /nfs/dbraw/zinc/53/03/66/667530366.db2.gz QLYYKJGUPVXDJZ-YUTCNCBUSA-N 2 0 309.370 0.226 20 5 DCBDRP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000872230982 667880221 /nfs/dbraw/zinc/88/02/21/667880221.db2.gz BTICVNGPODFFDX-HNNXBMFYSA-N 2 0 322.409 0.601 20 5 DCBDRP CC(C)C[NH+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001164662168 719340664 /nfs/dbraw/zinc/34/06/64/719340664.db2.gz OCJVCJXUPZXIOB-UHFFFAOYSA-N 2 0 320.397 0.850 20 5 DCBDRP CCOc1cnc(-n2cncc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169072806 760571799 /nfs/dbraw/zinc/57/17/99/760571799.db2.gz ZKFQGQMTYXGEJO-SECBINFHSA-N 2 0 307.310 0.436 20 5 DCBDRP CN1CCc2c(NC[C@@H]3COCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001170048114 761690673 /nfs/dbraw/zinc/69/06/73/761690673.db2.gz VPIUOVZXCPCXIM-LLVKDONJSA-N 2 0 306.366 0.983 20 5 DCBDRP C[NH+](C)CCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001133294335 764911735 /nfs/dbraw/zinc/91/17/35/764911735.db2.gz DATVDANSTRCSEO-UHFFFAOYSA-N 2 0 300.384 0.814 20 5 DCBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)C[NH3+])c1F ZINC001173177967 769554925 /nfs/dbraw/zinc/55/49/25/769554925.db2.gz YXGVMOXDDXGLTH-IUCAKERBSA-N 2 0 301.318 0.583 20 5 DCBDRP [NH3+]CCN(CC[NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246829480 945498803 /nfs/dbraw/zinc/49/88/03/945498803.db2.gz GYBIJAJUAMORRH-UHFFFAOYSA-N 2 0 307.398 0.783 20 5 DCBDRP CC(C)C[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001336832273 952773444 /nfs/dbraw/zinc/77/34/44/952773444.db2.gz WHEFHCPGWQCTRN-OLZOCXBDSA-N 2 0 300.403 0.430 20 5 DCBDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008304 396692948 /nfs/dbraw/zinc/69/29/48/396692948.db2.gz UUJAGZBZMOLZCM-TZMCWYRMSA-N 2 0 311.386 0.474 20 5 DCBDRP Cn1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000530881327 417594806 /nfs/dbraw/zinc/59/48/06/417594806.db2.gz RSSDNYMKOBRWAW-UHFFFAOYSA-N 2 0 311.386 0.499 20 5 DCBDRP CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000923327356 667509492 /nfs/dbraw/zinc/50/94/92/667509492.db2.gz OTLNKSANGAFCDQ-CQSZACIVSA-N 2 0 311.386 0.616 20 5 DCBDRP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382680 667521717 /nfs/dbraw/zinc/52/17/17/667521717.db2.gz DWXSPZWFMKGIEV-OCCSQVGLSA-N 2 0 323.397 0.616 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1C[NH+](C)C ZINC000870018025 667698440 /nfs/dbraw/zinc/69/84/40/667698440.db2.gz LEZTVCFFMGIILM-GHMZBOCLSA-N 2 0 324.385 0.129 20 5 DCBDRP COC(=O)c1cc([N+](=O)[O-])cc(NC(=[NH2+])NCCCC[NH3+])n1 ZINC001167878159 748458138 /nfs/dbraw/zinc/45/81/38/748458138.db2.gz PCFCGHFLFVNIPK-UHFFFAOYSA-N 2 0 310.314 0.452 20 5 DCBDRP CC(=O)N1CCc2cc(N[C@H]([NH3+])CCC[NH3+])cc([N+](=O)[O-])c21 ZINC001170902047 766251847 /nfs/dbraw/zinc/25/18/47/766251847.db2.gz AGIOMXWBMFYBJA-ZDUSSCGKSA-N 2 0 307.354 0.939 20 5 DCBDRP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151097163 769259803 /nfs/dbraw/zinc/25/98/03/769259803.db2.gz KFFLCIYAGKEBCF-UHFFFAOYSA-N 2 0 306.366 0.896 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc1C1C[NH2+]C1 ZINC001162804067 772420723 /nfs/dbraw/zinc/42/07/23/772420723.db2.gz ZOAZQXOXXCFBOZ-JMJZKYOTSA-N 2 0 302.338 0.258 20 5 DCBDRP O=[N+]([O-])c1cc2c(cc1N[C@@H]1COCCC13C[NH2+]C3)C[NH2+]C2 ZINC001163074752 772454846 /nfs/dbraw/zinc/45/48/46/772454846.db2.gz ZEUXFRWBYMNAMV-CQSZACIVSA-N 2 0 304.350 0.988 20 5 DCBDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001306599573 960125688 /nfs/dbraw/zinc/12/56/88/960125688.db2.gz ZOMINOBFVOLYLX-UHFFFAOYSA-N 2 0 324.385 0.137 20 5 DCBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008301 396693225 /nfs/dbraw/zinc/69/32/25/396693225.db2.gz UUJAGZBZMOLZCM-GXTWGEPZSA-N 2 0 311.386 0.474 20 5 DCBDRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000600733774 396933632 /nfs/dbraw/zinc/93/36/32/396933632.db2.gz CUPOHATZUXFQSW-UHFFFAOYSA-N 2 0 310.354 0.831 20 5 DCBDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000573317520 397155295 /nfs/dbraw/zinc/15/52/95/397155295.db2.gz LRMFDGTZGXDCEJ-GXTWGEPZSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CC[NH2+]CC2)n1 ZINC000423204633 416478855 /nfs/dbraw/zinc/47/88/55/416478855.db2.gz ODKNBRXRRHUXLC-ZIAGYGMSSA-N 2 0 322.413 0.770 20 5 DCBDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000436058999 416548273 /nfs/dbraw/zinc/54/82/73/416548273.db2.gz JQJFHWOSFWNIBE-GFCCVEGCSA-N 2 0 324.385 0.111 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000565535972 416989968 /nfs/dbraw/zinc/98/99/68/416989968.db2.gz YRAGCBXYKKRIMH-OAHLLOKOSA-N 2 0 323.397 0.616 20 5 DCBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](O)C[NH+]3CCCC3)C2)c1 ZINC000876966840 668544630 /nfs/dbraw/zinc/54/46/30/668544630.db2.gz XADUFBQKDWMFRY-YIZWMMSDSA-N 2 0 309.370 0.541 20 5 DCBDRP O=C(C[NH+]1CCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151098408 769260276 /nfs/dbraw/zinc/26/02/76/769260276.db2.gz ZTJFNZINWJJGID-UHFFFAOYSA-N 2 0 306.366 0.896 20 5 DCBDRP CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@]1(C)CCC[NH2+]C1 ZINC001156975470 770987821 /nfs/dbraw/zinc/98/78/21/770987821.db2.gz CPGDZVNSBCTMHP-AWEZNQCLSA-N 2 0 306.370 0.650 20 5 DCBDRP CCN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1CCC[NH2+]C1 ZINC001158207673 771741417 /nfs/dbraw/zinc/74/14/17/771741417.db2.gz UJSQXOKIFVSLAP-NSHDSACASA-N 2 0 306.370 0.650 20 5 DCBDRP C[NH+](C)C[C@@H]1CCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001165074596 772693969 /nfs/dbraw/zinc/69/39/69/772693969.db2.gz NNSUCMJCLIONFQ-NSHDSACASA-N 2 0 306.370 0.602 20 5 DCBDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001262557439 947726044 /nfs/dbraw/zinc/72/60/44/947726044.db2.gz BMZOHTLPYUDUFU-OAHLLOKOSA-N 2 0 308.382 0.465 20 5 DCBDRP Cc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001329299506 949490500 /nfs/dbraw/zinc/49/05/00/949490500.db2.gz RRGZQSLKBWQWLJ-CHWSQXEVSA-N 2 0 322.413 0.869 20 5 DCBDRP C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001335369820 952526679 /nfs/dbraw/zinc/52/66/79/952526679.db2.gz YOLGOEXAUADZJG-CJNGLKHVSA-N 2 0 322.409 0.854 20 5 DCBDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001336756529 952761752 /nfs/dbraw/zinc/76/17/52/952761752.db2.gz QAHRVALEETWLCO-INIZCTEOSA-N 2 0 322.409 0.855 20 5 DCBDRP Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567375302 291352077 /nfs/dbraw/zinc/35/20/77/291352077.db2.gz ORIOLKXCCUPSQA-GFCCVEGCSA-N 2 0 306.366 0.986 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@@]23CCC[C@@H]2[NH2+]CC3)nc1C1C[NH2+]C1 ZINC001155408961 770493623 /nfs/dbraw/zinc/49/36/23/770493623.db2.gz JEYBRVCQMLDOKS-SMDDNHRTSA-N 2 0 304.354 0.768 20 5 DCBDRP CC(C)[N@H+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001157021812 771518939 /nfs/dbraw/zinc/51/89/39/771518939.db2.gz QXHUPIAWTHGWFS-LBPRGKRZSA-N 2 0 320.397 0.991 20 5 DCBDRP CC(C)N(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@@H]1CC[NH2+]C1 ZINC001158034802 771716652 /nfs/dbraw/zinc/71/66/52/771716652.db2.gz JLORHEIXUNXAQP-LLVKDONJSA-N 2 0 306.370 0.648 20 5 DCBDRP C[C@@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164074880 772610534 /nfs/dbraw/zinc/61/05/34/772610534.db2.gz ANVXKRPUMNCFKM-KOLCDFICSA-N 2 0 306.370 0.635 20 5 DCBDRP C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC001335369821 952526525 /nfs/dbraw/zinc/52/65/25/952526525.db2.gz YOLGOEXAUADZJG-CZUORRHYSA-N 2 0 322.409 0.854 20 5 DCBDRP CC[NH2+]CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000923294834 667498240 /nfs/dbraw/zinc/49/82/40/667498240.db2.gz OBRCYFWVCKPGGS-AWEZNQCLSA-N 2 0 311.386 0.474 20 5 DCBDRP C[N@@H+]1CC[C@@H]2C[NH+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000931437079 669203895 /nfs/dbraw/zinc/20/38/95/669203895.db2.gz CZGHWELFQRAAOM-OLZOCXBDSA-N 2 0 306.366 0.640 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH+](C)C ZINC000872637240 685395626 /nfs/dbraw/zinc/39/56/26/685395626.db2.gz XXNYXIDTBOZABQ-CHWSQXEVSA-N 2 0 310.402 0.420 20 5 DCBDRP C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]21 ZINC001157283339 771576060 /nfs/dbraw/zinc/57/60/60/771576060.db2.gz URAWBUFLAYUAKZ-GXFFZTMASA-N 2 0 318.381 0.602 20 5 DCBDRP O=[N+]([O-])c1cnc(-n2ccc3c2CC[NH2+]C3)nc1C1C[NH2+]C1 ZINC001157453409 771612005 /nfs/dbraw/zinc/61/20/05/771612005.db2.gz DUOCAJNCDREAMN-UHFFFAOYSA-N 2 0 300.322 0.508 20 5 DCBDRP O=[N+]([O-])c1c(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)ncnc1C1C[NH2+]C1 ZINC001163262488 772496367 /nfs/dbraw/zinc/49/63/67/772496367.db2.gz CBHGBVYXHQJIRN-MIMYLULJSA-N 2 0 304.354 0.482 20 5 DCBDRP C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001353273054 955999391 /nfs/dbraw/zinc/99/93/91/955999391.db2.gz MPLIOIQKZYNXFO-TZMCWYRMSA-N 2 0 309.366 0.876 20 5 DCBDRP C[NH+](C)C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)C[C@H]1C[NH+](C)C ZINC000866012889 667360221 /nfs/dbraw/zinc/36/02/21/667360221.db2.gz UOEJKVYQCZJSNT-VXGBXAGGSA-N 2 0 308.386 0.560 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000923360121 667518770 /nfs/dbraw/zinc/51/87/70/667518770.db2.gz WIBFYDBNDKILMT-CYBMUJFWSA-N 2 0 309.370 0.228 20 5 DCBDRP C[C@H]1CC2(C[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000923382676 667521579 /nfs/dbraw/zinc/52/15/79/667521579.db2.gz DWXSPZWFMKGIEV-JSGCOSHPSA-N 2 0 323.397 0.616 20 5 DCBDRP C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001120573246 767083576 /nfs/dbraw/zinc/08/35/76/767083576.db2.gz NCHLSWVKRZNEFN-STQMWFEESA-N 2 0 309.366 0.876 20 5 DCBDRP C[C@H]1CC[C@@H](C[NH3+])N(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001164074883 772610583 /nfs/dbraw/zinc/61/05/83/772610583.db2.gz ANVXKRPUMNCFKM-ONGXEEELSA-N 2 0 306.370 0.635 20 5 DCBDRP C[NH+]1CCN(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254567413 946409668 /nfs/dbraw/zinc/40/96/68/946409668.db2.gz NPDCJNAVQMCTPS-HNNXBMFYSA-N 2 0 304.394 0.899 20 5 DCBDRP [NH3+]CCN(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N(O)N=O ZINC001254584637 946413055 /nfs/dbraw/zinc/41/30/55/946413055.db2.gz IHQAHQGUSRRYSH-LBPRGKRZSA-N 2 0 324.341 0.200 20 5 DCBDRP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC001335397374 952531487 /nfs/dbraw/zinc/53/14/87/952531487.db2.gz GGDNJKPEGKCWTA-VBNZEHGJSA-N 2 0 322.409 0.852 20 5 DCBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008302 396693126 /nfs/dbraw/zinc/69/31/26/396693126.db2.gz UUJAGZBZMOLZCM-JSGCOSHPSA-N 2 0 311.386 0.474 20 5 DCBDRP C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCC[NH+](C)C1 ZINC000304321532 261173592 /nfs/dbraw/zinc/17/35/92/261173592.db2.gz QMYFTYLABOJWKZ-OCCSQVGLSA-N 2 0 311.386 0.426 20 5 DCBDRP [NH3+][C@H]1CCc2nn(-c3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])cc2C1 ZINC001168815963 760456939 /nfs/dbraw/zinc/45/69/39/760456939.db2.gz MPNAXMMTPRFSDX-JTQLQIEISA-N 2 0 315.337 0.073 20 5 DCBDRP COc1nc(SC)nc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-] ZINC001170899117 766249957 /nfs/dbraw/zinc/24/99/57/766249957.db2.gz RYIZDWHDNZDBBP-ZCFIWIBFSA-N 2 0 302.360 0.551 20 5 DCBDRP O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)nc1C1C[NH2+]C1 ZINC001155669746 770584700 /nfs/dbraw/zinc/58/47/00/770584700.db2.gz UPPMVZVZTFHDPK-NSHDSACASA-N 2 0 304.354 0.578 20 5 DCBDRP C[C@@H](CN1CC[NH2+]CC1)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162097539 772325765 /nfs/dbraw/zinc/32/57/65/772325765.db2.gz SEMUWQIXOVIIGS-NSHDSACASA-N 2 0 305.382 0.904 20 5 DCBDRP C[N@@H+]1CCC[C@@](C)(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001162338627 772363323 /nfs/dbraw/zinc/36/33/23/772363323.db2.gz CRJZXJJMLJIEOG-CQSZACIVSA-N 2 0 306.370 0.968 20 5 DCBDRP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCN1C ZINC001335397373 952532013 /nfs/dbraw/zinc/53/20/13/952532013.db2.gz GGDNJKPEGKCWTA-RCBQFDQVSA-N 2 0 322.409 0.852 20 5 DCBDRP Cc1c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000576575618 417618287 /nfs/dbraw/zinc/61/82/87/417618287.db2.gz GYTRPYMBRVODPO-LBPRGKRZSA-N 2 0 306.366 0.986 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000923280061 667491813 /nfs/dbraw/zinc/49/18/13/667491813.db2.gz CNXMNMQKMRIBQC-CQSZACIVSA-N 2 0 309.370 0.369 20 5 DCBDRP COC(=O)COc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001578813836 1165126482 /nfs/dbraw/zinc/12/64/82/1165126482.db2.gz XWRJBGNUFUKYFX-TXEJJXNPSA-N 2 0 323.349 0.974 20 5 DCBDRP O=[N+]([O-])c1c(NC[C@H]2CCCC[NH2+]2)ncnc1N1CC[NH2+]CC1 ZINC001160146044 772001262 /nfs/dbraw/zinc/00/12/62/772001262.db2.gz ZABCQUBTVYAFDB-LLVKDONJSA-N 2 0 321.385 0.348 20 5 DCBDRP Cc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000567375303 291351912 /nfs/dbraw/zinc/35/19/12/291351912.db2.gz ORIOLKXCCUPSQA-LBPRGKRZSA-N 2 0 306.366 0.986 20 5 DCBDRP C[N@H+](CCN1CC[NH2+]CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923285543 667495234 /nfs/dbraw/zinc/49/52/34/667495234.db2.gz HNLXBHBVRRBQDF-OAHLLOKOSA-N 2 0 308.382 0.465 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000923357517 667512896 /nfs/dbraw/zinc/51/28/96/667512896.db2.gz XQJQYAYTAQQJSI-KGLIPLIRSA-N 2 0 309.370 0.228 20 5 DCBDRP O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923358327 667513789 /nfs/dbraw/zinc/51/37/89/667513789.db2.gz YFUUCMWDHDGWMR-ZFWWWQNUSA-N 2 0 323.397 0.474 20 5 DCBDRP O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923516039 667551809 /nfs/dbraw/zinc/55/18/09/667551809.db2.gz SGRLYQTUYAAONK-GUTXKFCHSA-N 2 0 321.377 0.876 20 5 DCBDRP CN1CCN(C(=[NH2+])Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1 ZINC001168736875 753990580 /nfs/dbraw/zinc/99/05/80/753990580.db2.gz LTORNWIOVKWTRQ-UHFFFAOYSA-N 2 0 304.354 0.792 20 5 DCBDRP COc1cc2ncnc(N[C@H]([NH3+])CCC[NH3+])c2cc1[N+](=O)[O-] ZINC001159784396 766266373 /nfs/dbraw/zinc/26/63/73/766266373.db2.gz IGZNFCKJYFBXCP-LBPRGKRZSA-N 2 0 306.326 0.982 20 5 DCBDRP C[NH+]1CCN(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335880432 952614414 /nfs/dbraw/zinc/61/44/14/952614414.db2.gz BGKMANAWNYEEDJ-MRXNPFEDSA-N 2 0 322.409 0.855 20 5 DCBDRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000563008303 396693038 /nfs/dbraw/zinc/69/30/38/396693038.db2.gz UUJAGZBZMOLZCM-OCCSQVGLSA-N 2 0 311.386 0.474 20 5 DCBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000600760123 396940751 /nfs/dbraw/zinc/94/07/51/396940751.db2.gz QIJXRYZDULMHEM-HNNXBMFYSA-N 2 0 323.397 0.882 20 5 DCBDRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000387326597 397294394 /nfs/dbraw/zinc/29/43/94/397294394.db2.gz CJGUUNMDLHNGDZ-CQSZACIVSA-N 2 0 311.386 0.615 20 5 DCBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000175212693 416099046 /nfs/dbraw/zinc/09/90/46/416099046.db2.gz DWTLZPBYTNAJNB-CQSZACIVSA-N 2 0 322.413 0.503 20 5 DCBDRP O=[N+]([O-])c1cccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000565428801 416976826 /nfs/dbraw/zinc/97/68/26/416976826.db2.gz RLILUYIKFPQNBH-UHFFFAOYSA-N 2 0 319.409 0.622 20 5 DCBDRP O=C(CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000903883768 663492667 /nfs/dbraw/zinc/49/26/67/663492667.db2.gz ZCALHLXNLYMBFE-UHFFFAOYSA-N 2 0 318.377 0.775 20 5 DCBDRP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001168981151 760530109 /nfs/dbraw/zinc/53/01/09/760530109.db2.gz GLTKDJOBUTVJEI-XVIXHAIJSA-N 2 0 301.387 0.746 20 5 DCBDRP CC(C)[N@@H+]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1C ZINC001158501297 771783639 /nfs/dbraw/zinc/78/36/39/771783639.db2.gz QUVLDHRSFXSOFA-NSHDSACASA-N 2 0 320.397 0.991 20 5 DCBDRP C[N@H+](CCCN1CC[NH+](C)CC1)CCn1cc([N+](=O)[O-])cn1 ZINC000182965181 416234376 /nfs/dbraw/zinc/23/43/76/416234376.db2.gz UPOWUFZFHSLOTL-UHFFFAOYSA-N 2 0 310.402 0.361 20 5 DCBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000451993927 417428448 /nfs/dbraw/zinc/42/84/48/417428448.db2.gz VJMIUAXOARFKEG-UHFFFAOYSA-N 2 0 324.429 0.797 20 5 DCBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931478914 669210002 /nfs/dbraw/zinc/21/00/02/669210002.db2.gz HGDHKPCYFFREPO-UHFFFAOYSA-N 2 0 311.386 0.488 20 5 DCBDRP