smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(N[C@H]1C[C@H](C[NH2+]Cc2nccn2C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650931 744998248 /nfs/dbraw/zinc/99/82/48/744998248.db2.gz YQHBYCFTPKMODP-GWOFURMSSA-N 1 1 343.334 0.928 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2cn[nH]c2)CC1 ZINC001001228010 746186435 /nfs/dbraw/zinc/18/64/35/746186435.db2.gz GSNOXWRAABGWHO-UHFFFAOYSA-N 1 1 347.379 0.693 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430268 747990995 /nfs/dbraw/zinc/99/09/95/747990995.db2.gz DAZCJXPRNWXSFP-HUUCEWRRSA-N 1 1 335.408 0.817 20 5 ECBDMO Cc1nn(C)cc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430268 747991001 /nfs/dbraw/zinc/99/10/01/747991001.db2.gz DAZCJXPRNWXSFP-HUUCEWRRSA-N 1 1 335.408 0.817 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430268 747991006 /nfs/dbraw/zinc/99/10/06/747991006.db2.gz DAZCJXPRNWXSFP-HUUCEWRRSA-N 1 1 335.408 0.817 20 5 ECBDMO NC(=O)C1(C(=O)N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000981865028 751215896 /nfs/dbraw/zinc/21/58/96/751215896.db2.gz KUOVBIRCZRGHLT-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO NC(=O)C1(C(=O)N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000981865028 751215904 /nfs/dbraw/zinc/21/59/04/751215904.db2.gz KUOVBIRCZRGHLT-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCC1=CCCCC1 ZINC001126938691 756792707 /nfs/dbraw/zinc/79/27/07/756792707.db2.gz HAVIPBSFTLNMFE-ZIAGYGMSSA-N 1 1 338.408 0.364 20 5 ECBDMO CCOc1ccccc1OCC[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938891 756814555 /nfs/dbraw/zinc/81/45/55/756814555.db2.gz LPGCJOSHHACQFU-CHWSQXEVSA-N 1 1 337.376 0.835 20 5 ECBDMO NC(=O)c1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC000996428454 757653975 /nfs/dbraw/zinc/65/39/75/757653975.db2.gz DUGKKQKNHCVQFM-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO Cc1nn(C)cc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050517392 760412894 /nfs/dbraw/zinc/41/28/94/760412894.db2.gz RPJICUVCOKMRHM-HUUCEWRRSA-N 1 1 347.419 0.818 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N(C)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001044299735 776095145 /nfs/dbraw/zinc/09/51/45/776095145.db2.gz JTCRMSXQXFKYNL-UHFFFAOYSA-N 1 1 347.379 0.176 20 5 ECBDMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)Cc1cccc([N+](=O)[O-])c1 ZINC001266388006 835796418 /nfs/dbraw/zinc/79/64/18/835796418.db2.gz OGVPRYDNCIQYMT-UHFFFAOYSA-N 1 1 332.364 0.975 20 5 ECBDMO CCN(C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001267371026 837269370 /nfs/dbraw/zinc/26/93/70/837269370.db2.gz HCDBIRCCERVDQJ-HUUCEWRRSA-N 1 1 348.403 0.753 20 5 ECBDMO CCc1ccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001267371772 837271640 /nfs/dbraw/zinc/27/16/40/837271640.db2.gz UJAWXSARJIROPF-HUUCEWRRSA-N 1 1 348.403 0.901 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(CCO)CCOCC1 ZINC000355012398 299184256 /nfs/dbraw/zinc/18/42/56/299184256.db2.gz MQTNHPUGCGSKHG-UHFFFAOYSA-N 1 1 325.365 0.620 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[NH+](C[C@H](C)O)CC2)c(C)c1[N+](=O)[O-] ZINC000189734642 237197690 /nfs/dbraw/zinc/19/76/90/237197690.db2.gz LYUIHSHHVBEOLJ-NSHDSACASA-N 1 1 339.396 0.323 20 5 ECBDMO C[C@H](CO)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131912833 223282833 /nfs/dbraw/zinc/28/28/33/223282833.db2.gz LNQCSSQDGPMOMR-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000193313148 240102667 /nfs/dbraw/zinc/10/26/67/240102667.db2.gz UMQXYTRSEMACNR-UHFFFAOYSA-N 1 1 343.283 0.615 20 5 ECBDMO Cc1c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000186667294 291496984 /nfs/dbraw/zinc/49/69/84/291496984.db2.gz OROAIHVSMGDXOP-CYBMUJFWSA-N 1 1 346.387 0.940 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457088767 211689717 /nfs/dbraw/zinc/68/97/17/211689717.db2.gz CFEYHVXSJPPFAY-JTQLQIEISA-N 1 1 343.330 0.941 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457088767 211689718 /nfs/dbraw/zinc/68/97/18/211689718.db2.gz CFEYHVXSJPPFAY-JTQLQIEISA-N 1 1 343.330 0.941 20 5 ECBDMO CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266500214 248332741 /nfs/dbraw/zinc/33/27/41/248332741.db2.gz RXMZCDFKGTWPRG-ONGXEEELSA-N 1 1 325.369 0.544 20 5 ECBDMO CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266500214 248332743 /nfs/dbraw/zinc/33/27/43/248332743.db2.gz RXMZCDFKGTWPRG-ONGXEEELSA-N 1 1 325.369 0.544 20 5 ECBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379711 211185804 /nfs/dbraw/zinc/18/58/04/211185804.db2.gz CAOXELJIGNFHKR-OLZOCXBDSA-N 1 1 328.369 0.137 20 5 ECBDMO COC(=O)[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413502072 208336300 /nfs/dbraw/zinc/33/63/00/208336300.db2.gz PVPHFTYMDYFEKP-SECBINFHSA-N 1 1 339.377 0.845 20 5 ECBDMO CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006562 208385629 /nfs/dbraw/zinc/38/56/29/208385629.db2.gz QIORJXTUOVZSOH-DGCLKSJQSA-N 1 1 334.376 0.924 20 5 ECBDMO C[N@@H+](CCCNC(=O)C1CCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000429551951 210322636 /nfs/dbraw/zinc/32/26/36/210322636.db2.gz WFFWZOPXEWFBQG-UHFFFAOYSA-N 1 1 336.392 0.995 20 5 ECBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028704 210295080 /nfs/dbraw/zinc/29/50/80/210295080.db2.gz CRQXNRJNAVLYOE-VDERGJSUSA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@@H]1C[C@@H]1N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028704 210295083 /nfs/dbraw/zinc/29/50/83/210295083.db2.gz CRQXNRJNAVLYOE-VDERGJSUSA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@@H]1C[C@@H]1N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028704 210295086 /nfs/dbraw/zinc/29/50/86/210295086.db2.gz CRQXNRJNAVLYOE-VDERGJSUSA-N 1 1 337.424 0.814 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245601375 165108948 /nfs/dbraw/zinc/10/89/48/165108948.db2.gz VVWSWNGUJXZPOC-OLZOCXBDSA-N 1 1 325.390 0.963 20 5 ECBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247647758 165165614 /nfs/dbraw/zinc/16/56/14/165165614.db2.gz VVIXJODOWUFMMT-GXTWGEPZSA-N 1 1 336.396 0.917 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000265986179 263178943 /nfs/dbraw/zinc/17/89/43/263178943.db2.gz AMUMSRSMYFPFSS-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO CC(=O)N1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271691816 263323678 /nfs/dbraw/zinc/32/36/78/263323678.db2.gz FLBKZWCBZVZPPD-LBPRGKRZSA-N 1 1 334.376 0.936 20 5 ECBDMO CNC(=O)c1ccc(N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284556054 264227429 /nfs/dbraw/zinc/22/74/29/264227429.db2.gz MXLPESSMARFMQY-CABCVRRESA-N 1 1 334.376 0.864 20 5 ECBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000298806824 265283349 /nfs/dbraw/zinc/28/33/49/265283349.db2.gz QFDDDGWPCAUVOK-GFCCVEGCSA-N 1 1 333.344 0.979 20 5 ECBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000298806824 265283351 /nfs/dbraw/zinc/28/33/51/265283351.db2.gz QFDDDGWPCAUVOK-GFCCVEGCSA-N 1 1 333.344 0.979 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346814511 298348006 /nfs/dbraw/zinc/34/80/06/298348006.db2.gz IXVRJFAUAOGFEO-GWCFXTLKSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346814511 298348010 /nfs/dbraw/zinc/34/80/10/298348010.db2.gz IXVRJFAUAOGFEO-GWCFXTLKSA-N 1 1 346.343 0.424 20 5 ECBDMO COc1ccc(CN2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362696344 300210796 /nfs/dbraw/zinc/21/07/96/300210796.db2.gz YGNPJPQMVNEXOE-AWEZNQCLSA-N 1 1 348.403 1.000 20 5 ECBDMO COc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000362696344 300210799 /nfs/dbraw/zinc/21/07/99/300210799.db2.gz YGNPJPQMVNEXOE-AWEZNQCLSA-N 1 1 348.403 1.000 20 5 ECBDMO COc1ccc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000362696344 300210801 /nfs/dbraw/zinc/21/08/01/300210801.db2.gz YGNPJPQMVNEXOE-AWEZNQCLSA-N 1 1 348.403 1.000 20 5 ECBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000373072982 301045546 /nfs/dbraw/zinc/04/55/46/301045546.db2.gz ZZYIGEKGBQYMSH-CQSZACIVSA-N 1 1 344.375 0.477 20 5 ECBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)c1 ZINC000373584357 301069011 /nfs/dbraw/zinc/06/90/11/301069011.db2.gz LAGNBIVJCVEZEU-HIFRSBDPSA-N 1 1 339.396 0.121 20 5 ECBDMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375403243 301172145 /nfs/dbraw/zinc/17/21/45/301172145.db2.gz LLPZJIMHQHJVDT-NSHDSACASA-N 1 1 339.352 0.108 20 5 ECBDMO C[C@@H]1C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C(=O)N1CCOCC1 ZINC000375500240 301180719 /nfs/dbraw/zinc/18/07/19/301180719.db2.gz RSSFBNXPIQHQCN-VXGBXAGGSA-N 1 1 337.380 0.255 20 5 ECBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390221081 301452408 /nfs/dbraw/zinc/45/24/08/301452408.db2.gz NHNXMCHWTBQBSB-SECBINFHSA-N 1 1 333.341 0.391 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044503200 436343342 /nfs/dbraw/zinc/34/33/42/436343342.db2.gz JYXJTMXOLRZNMG-UHFFFAOYSA-N 1 1 326.378 0.597 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000046449485 436395652 /nfs/dbraw/zinc/39/56/52/436395652.db2.gz RQKKZSGPNDCAID-UHFFFAOYSA-N 1 1 340.405 0.905 20 5 ECBDMO CCOCCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090565363 436435397 /nfs/dbraw/zinc/43/53/97/436435397.db2.gz DZXDQOJYPJLDPW-AWEZNQCLSA-N 1 1 325.365 0.884 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532395950 302077182 /nfs/dbraw/zinc/07/71/82/302077182.db2.gz FFDSHWQICZCEML-UHFFFAOYSA-N 1 1 335.364 0.226 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000064345380 436648903 /nfs/dbraw/zinc/64/89/03/436648903.db2.gz YXKAWMGZKYKZJI-STQMWFEESA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000064345380 436648904 /nfs/dbraw/zinc/64/89/04/436648904.db2.gz YXKAWMGZKYKZJI-STQMWFEESA-N 1 1 341.389 0.736 20 5 ECBDMO C[C@@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000137532855 436658877 /nfs/dbraw/zinc/65/88/77/436658877.db2.gz FNKRCMODMPUADH-OCCSQVGLSA-N 1 1 344.375 0.966 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000150726724 436687461 /nfs/dbraw/zinc/68/74/61/436687461.db2.gz VMDOBWFNEALHKG-GFCCVEGCSA-N 1 1 339.396 0.574 20 5 ECBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000119637469 436669108 /nfs/dbraw/zinc/66/91/08/436669108.db2.gz MYRMPFIKXHEEFB-CYBMUJFWSA-N 1 1 336.392 0.851 20 5 ECBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 ZINC000065728178 436672328 /nfs/dbraw/zinc/67/23/28/436672328.db2.gz BBCFMYKVZQXENT-UHFFFAOYSA-N 1 1 341.331 0.997 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000152454395 436731005 /nfs/dbraw/zinc/73/10/05/436731005.db2.gz QVRVGIOQGAPZAI-NSHDSACASA-N 1 1 336.348 0.566 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000273190403 436735578 /nfs/dbraw/zinc/73/55/78/436735578.db2.gz PRGJSHNAFONGRY-UHFFFAOYSA-N 1 1 334.380 0.375 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000155174893 436791173 /nfs/dbraw/zinc/79/11/73/436791173.db2.gz WABVIDSWNSAAAZ-UHFFFAOYSA-N 1 1 334.376 0.942 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000274471030 436829919 /nfs/dbraw/zinc/82/99/19/436829919.db2.gz ZGZQHKCHICBIGQ-GOEBONIOSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000274471030 436829923 /nfs/dbraw/zinc/82/99/23/436829923.db2.gz ZGZQHKCHICBIGQ-GOEBONIOSA-N 1 1 338.360 0.826 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262481906 436937359 /nfs/dbraw/zinc/93/73/59/436937359.db2.gz ZQSGVQZSOHIOCL-GFCCVEGCSA-N 1 1 344.375 0.591 20 5 ECBDMO COC(=O)c1cnc(N2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000281039671 436941489 /nfs/dbraw/zinc/94/14/89/436941489.db2.gz VLPVSYVWHVWMNE-UHFFFAOYSA-N 1 1 332.320 0.826 20 5 ECBDMO CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)n1C ZINC000275890184 437026353 /nfs/dbraw/zinc/02/63/53/437026353.db2.gz IVFACICQTLSUOQ-UHFFFAOYSA-N 1 1 346.347 0.649 20 5 ECBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1(C)C ZINC000281605964 436984170 /nfs/dbraw/zinc/98/41/70/436984170.db2.gz INLMHAYBAYZFOY-UHFFFAOYSA-N 1 1 336.396 0.527 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264487396 437036072 /nfs/dbraw/zinc/03/60/72/437036072.db2.gz IVIJJVFOFDPDPW-CYBMUJFWSA-N 1 1 338.339 0.804 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000275705505 437003051 /nfs/dbraw/zinc/00/30/51/437003051.db2.gz SWJNDFCOSOXNTE-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000275705505 437003053 /nfs/dbraw/zinc/00/30/53/437003053.db2.gz SWJNDFCOSOXNTE-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000264483890 437036421 /nfs/dbraw/zinc/03/64/21/437036421.db2.gz IIYSPGCAZZPRKM-CYBMUJFWSA-N 1 1 339.396 0.635 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C[C@@H](C)O ZINC000298695533 437047466 /nfs/dbraw/zinc/04/74/66/437047466.db2.gz ZPXHEJBHOWIPGE-LLVKDONJSA-N 1 1 341.364 0.607 20 5 ECBDMO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173480841 437052355 /nfs/dbraw/zinc/05/23/55/437052355.db2.gz ADBVCCIZCUZYHO-STQMWFEESA-N 1 1 326.353 0.568 20 5 ECBDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173480841 437052362 /nfs/dbraw/zinc/05/23/62/437052362.db2.gz ADBVCCIZCUZYHO-STQMWFEESA-N 1 1 326.353 0.568 20 5 ECBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000173620090 437058314 /nfs/dbraw/zinc/05/83/14/437058314.db2.gz ZFZRUENNEYYWIR-HNNXBMFYSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000173620090 437058317 /nfs/dbraw/zinc/05/83/17/437058317.db2.gz ZFZRUENNEYYWIR-HNNXBMFYSA-N 1 1 334.376 0.574 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000264725600 437073568 /nfs/dbraw/zinc/07/35/68/437073568.db2.gz LXIRZERXVZHFNT-HNNXBMFYSA-N 1 1 335.408 0.682 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274106 437081819 /nfs/dbraw/zinc/08/18/19/437081819.db2.gz ZRWPUJLVXGCNDN-WDEREUQCSA-N 1 1 341.364 0.606 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274106 437081823 /nfs/dbraw/zinc/08/18/23/437081823.db2.gz ZRWPUJLVXGCNDN-WDEREUQCSA-N 1 1 341.364 0.606 20 5 ECBDMO Cn1ccnc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000265342698 437108936 /nfs/dbraw/zinc/10/89/36/437108936.db2.gz ZBBHIKQHXSCBDI-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000176904172 437162521 /nfs/dbraw/zinc/16/25/21/437162521.db2.gz NXAOMJRHFAONFV-MRXNPFEDSA-N 1 1 337.376 0.716 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301110619 437113404 /nfs/dbraw/zinc/11/34/04/437113404.db2.gz VAHOSFSHBRLBHN-LBPRGKRZSA-N 1 1 337.380 0.857 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@H+](C2CCOCC2)CC1 ZINC000301370235 437120359 /nfs/dbraw/zinc/12/03/59/437120359.db2.gz PSALGALEPKCORS-UHFFFAOYSA-N 1 1 349.391 0.780 20 5 ECBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236165 437136537 /nfs/dbraw/zinc/13/65/37/437136537.db2.gz ZJASJFJUIGEFGB-OAHLLOKOSA-N 1 1 336.440 0.893 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C ZINC000266858462 437256478 /nfs/dbraw/zinc/25/64/78/437256478.db2.gz SVZMSKXJSFGZLQ-UHFFFAOYSA-N 1 1 344.393 0.232 20 5 ECBDMO CC(C)C[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181544886 437324111 /nfs/dbraw/zinc/32/41/11/437324111.db2.gz FCISNAAMSXPKPD-LBPRGKRZSA-N 1 1 325.365 0.778 20 5 ECBDMO CC(C)[C@@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289353266 437403809 /nfs/dbraw/zinc/40/38/09/437403809.db2.gz NEYBQNJOJHUCFK-CQSZACIVSA-N 1 1 343.405 0.858 20 5 ECBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000279423709 437406378 /nfs/dbraw/zinc/40/63/78/437406378.db2.gz YGZIDRDRTYMHGU-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000279423709 437406382 /nfs/dbraw/zinc/40/63/82/437406382.db2.gz YGZIDRDRTYMHGU-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734956 437415052 /nfs/dbraw/zinc/41/50/52/437415052.db2.gz YQKQIAPYHIUAQH-VXGBXAGGSA-N 1 1 335.364 0.388 20 5 ECBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1CCO ZINC000187657721 437508752 /nfs/dbraw/zinc/50/87/52/437508752.db2.gz VFWGCYQDJWPREX-GFCCVEGCSA-N 1 1 337.376 0.960 20 5 ECBDMO C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187720311 437513337 /nfs/dbraw/zinc/51/33/37/437513337.db2.gz UUWJCTIDAWXJNF-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187720311 437513343 /nfs/dbraw/zinc/51/33/43/437513343.db2.gz UUWJCTIDAWXJNF-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187720311 437513349 /nfs/dbraw/zinc/51/33/49/437513349.db2.gz UUWJCTIDAWXJNF-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000360108785 437522073 /nfs/dbraw/zinc/52/20/73/437522073.db2.gz YXKAWMGZKYKZJI-QWHCGFSZSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000360108785 437522076 /nfs/dbraw/zinc/52/20/76/437522076.db2.gz YXKAWMGZKYKZJI-QWHCGFSZSA-N 1 1 341.389 0.736 20 5 ECBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361507986 437664719 /nfs/dbraw/zinc/66/47/19/437664719.db2.gz HVSZDOMOUUNVCV-RBSFLKMASA-N 1 1 340.380 0.422 20 5 ECBDMO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000331131388 437695982 /nfs/dbraw/zinc/69/59/82/437695982.db2.gz CUGJEDMJOKZISF-NSHDSACASA-N 1 1 325.369 0.051 20 5 ECBDMO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000331131388 437695987 /nfs/dbraw/zinc/69/59/87/437695987.db2.gz CUGJEDMJOKZISF-NSHDSACASA-N 1 1 325.369 0.051 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192917977 437697767 /nfs/dbraw/zinc/69/77/67/437697767.db2.gz IWWMAKXLDPBWBY-OKILXGFUSA-N 1 1 339.417 0.961 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192916913 437698466 /nfs/dbraw/zinc/69/84/66/437698466.db2.gz ANSYIFGWCVAWGB-PHIMTYICSA-N 1 1 341.389 0.786 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000340947837 437763148 /nfs/dbraw/zinc/76/31/48/437763148.db2.gz DQMJMTIPAZPYPT-LLVKDONJSA-N 1 1 325.369 0.363 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000344055517 437725504 /nfs/dbraw/zinc/72/55/04/437725504.db2.gz LIMXTMHGYJOKRD-RYUDHWBXSA-N 1 1 338.412 0.895 20 5 ECBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362606329 437745977 /nfs/dbraw/zinc/74/59/77/437745977.db2.gz NHXJMUSGHDJXMM-JQWIXIFHSA-N 1 1 327.385 0.387 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415607522 437831147 /nfs/dbraw/zinc/83/11/47/437831147.db2.gz KKEVQXHSBSORRT-UHFFFAOYSA-N 1 1 332.263 0.252 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000416303312 437914337 /nfs/dbraw/zinc/91/43/37/437914337.db2.gz XQXAEOLLPCAKLC-RYUDHWBXSA-N 1 1 325.369 0.095 20 5 ECBDMO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000341866538 437914565 /nfs/dbraw/zinc/91/45/65/437914565.db2.gz URFUXENIVNIGHX-AWEZNQCLSA-N 1 1 338.364 0.902 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768337 437968325 /nfs/dbraw/zinc/96/83/25/437968325.db2.gz GWAOVNOVPVFHOM-NWDGAFQWSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768337 437968330 /nfs/dbraw/zinc/96/83/30/437968330.db2.gz GWAOVNOVPVFHOM-NWDGAFQWSA-N 1 1 336.348 0.679 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372054928 438028262 /nfs/dbraw/zinc/02/82/62/438028262.db2.gz IIJSISUNMWYBHG-CQSZACIVSA-N 1 1 347.375 0.368 20 5 ECBDMO COc1cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304545 438050688 /nfs/dbraw/zinc/05/06/88/438050688.db2.gz AIWRXGOKDANJQJ-NXEZZACHSA-N 1 1 337.307 0.837 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304545 438050689 /nfs/dbraw/zinc/05/06/89/438050689.db2.gz AIWRXGOKDANJQJ-NXEZZACHSA-N 1 1 337.307 0.837 20 5 ECBDMO O=C(CC[N@@H+]1CCn2c(CO)nnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000348308382 438047766 /nfs/dbraw/zinc/04/77/66/438047766.db2.gz RJMVYRJFXMTNTN-UHFFFAOYSA-N 1 1 346.347 0.523 20 5 ECBDMO O=C(CC[N@H+]1CCn2c(CO)nnc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000348308382 438047771 /nfs/dbraw/zinc/04/77/71/438047771.db2.gz RJMVYRJFXMTNTN-UHFFFAOYSA-N 1 1 346.347 0.523 20 5 ECBDMO O=C1C[C@@]2(CN1)CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762623 438058851 /nfs/dbraw/zinc/05/88/51/438058851.db2.gz VUBJTKXJPAKXOD-SUMWQHHRSA-N 1 1 349.387 0.937 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429312 438072115 /nfs/dbraw/zinc/07/21/15/438072115.db2.gz DZPWDEPCXSWUKI-NWDGAFQWSA-N 1 1 346.343 0.436 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429312 438072118 /nfs/dbraw/zinc/07/21/18/438072118.db2.gz DZPWDEPCXSWUKI-NWDGAFQWSA-N 1 1 346.343 0.436 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358216869 438185257 /nfs/dbraw/zinc/18/52/57/438185257.db2.gz UJPKLLATFXERRE-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO C[C@@H]1C[N@H+](C)C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229851 438186498 /nfs/dbraw/zinc/18/64/98/438186498.db2.gz XQUVLAKLFRMDMB-BXUZGUMPSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229851 438186505 /nfs/dbraw/zinc/18/65/05/438186505.db2.gz XQUVLAKLFRMDMB-BXUZGUMPSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000367270839 438191734 /nfs/dbraw/zinc/19/17/34/438191734.db2.gz MKLOSYVDWJXSSF-JTQLQIEISA-N 1 1 340.355 0.845 20 5 ECBDMO COCCC[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000367149092 438172779 /nfs/dbraw/zinc/17/27/79/438172779.db2.gz QKCFKXJABSVKFW-UHFFFAOYSA-N 1 1 338.408 0.801 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358400011 438216650 /nfs/dbraw/zinc/21/66/50/438216650.db2.gz VUGQNNVMULSAAZ-OAHLLOKOSA-N 1 1 336.348 0.025 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCO1 ZINC000432561479 438203465 /nfs/dbraw/zinc/20/34/65/438203465.db2.gz XVFAKTBJCVXHSA-LLVKDONJSA-N 1 1 337.380 0.803 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000351161508 438252354 /nfs/dbraw/zinc/25/23/54/438252354.db2.gz GPZWWOQWBDPGOC-UHFFFAOYSA-N 1 1 335.364 0.509 20 5 ECBDMO C[N@@H+](CCN1CCOC(C)(C)C1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434708385 438318714 /nfs/dbraw/zinc/31/87/14/438318714.db2.gz ROHFWIFKUDRMRQ-AWEZNQCLSA-N 1 1 341.412 0.195 20 5 ECBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000368486831 438336565 /nfs/dbraw/zinc/33/65/65/438336565.db2.gz DRGLOYQGUSJZEX-MRXNPFEDSA-N 1 1 332.404 0.986 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419341674 438353090 /nfs/dbraw/zinc/35/30/90/438353090.db2.gz OPGYTJUKOGLRTH-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO CN1C(=O)[C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234875 438364949 /nfs/dbraw/zinc/36/49/49/438364949.db2.gz MUENSAKVCVAEOX-CHWSQXEVSA-N 1 1 334.332 0.206 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234875 438364953 /nfs/dbraw/zinc/36/49/53/438364953.db2.gz MUENSAKVCVAEOX-CHWSQXEVSA-N 1 1 334.332 0.206 20 5 ECBDMO CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000388369854 438423842 /nfs/dbraw/zinc/42/38/42/438423842.db2.gz PHEFUAYPWCGWQW-SECBINFHSA-N 1 1 334.170 0.832 20 5 ECBDMO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007371 438410241 /nfs/dbraw/zinc/41/02/41/438410241.db2.gz HWCPNZMDIOJIDK-QWHCGFSZSA-N 1 1 339.396 0.969 20 5 ECBDMO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007371 438410245 /nfs/dbraw/zinc/41/02/45/438410245.db2.gz HWCPNZMDIOJIDK-QWHCGFSZSA-N 1 1 339.396 0.969 20 5 ECBDMO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000352390702 438417284 /nfs/dbraw/zinc/41/72/84/438417284.db2.gz GMZNZXPMVOBWFT-SECBINFHSA-N 1 1 326.378 0.891 20 5 ECBDMO C[C@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC000359638073 438472271 /nfs/dbraw/zinc/47/22/71/438472271.db2.gz QFGPHHQNUNMZSK-CYBMUJFWSA-N 1 1 348.403 0.952 20 5 ECBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359645130 438473380 /nfs/dbraw/zinc/47/33/80/438473380.db2.gz ZQAQGUGEHUKABW-OAHLLOKOSA-N 1 1 346.387 0.706 20 5 ECBDMO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352770753 438474127 /nfs/dbraw/zinc/47/41/27/438474127.db2.gz UKVDFGOJTXRKAO-GFCCVEGCSA-N 1 1 347.331 0.159 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352770753 438474132 /nfs/dbraw/zinc/47/41/32/438474132.db2.gz UKVDFGOJTXRKAO-GFCCVEGCSA-N 1 1 347.331 0.159 20 5 ECBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000369290011 438451245 /nfs/dbraw/zinc/45/12/45/438451245.db2.gz HOMLHLDXTMADSS-PAPYEOQZSA-N 1 1 340.380 0.421 20 5 ECBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825210 438519661 /nfs/dbraw/zinc/51/96/61/438519661.db2.gz GZQLCMGGWXBAAX-DEQVHRJGSA-N 1 1 337.380 0.271 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000408450579 438575186 /nfs/dbraw/zinc/57/51/86/438575186.db2.gz FVUXJGAIEZQQIJ-DGCLKSJQSA-N 1 1 334.380 0.662 20 5 ECBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451941651 438618108 /nfs/dbraw/zinc/61/81/08/438618108.db2.gz ZSTNDZPRXZRCQA-UKRRQHHQSA-N 1 1 335.360 0.877 20 5 ECBDMO C[C@@H]([NH3+])C[C@@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977581 438623268 /nfs/dbraw/zinc/62/32/68/438623268.db2.gz FWLPFNOYUAXRCC-GHMZBOCLSA-N 1 1 330.410 0.589 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)n1 ZINC000450793357 438693921 /nfs/dbraw/zinc/69/39/21/438693921.db2.gz LLOFZZXIPPVCHL-PHIMTYICSA-N 1 1 338.364 0.668 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)n1 ZINC000450793357 438693923 /nfs/dbraw/zinc/69/39/23/438693923.db2.gz LLOFZZXIPPVCHL-PHIMTYICSA-N 1 1 338.364 0.668 20 5 ECBDMO COC(=O)COc1ccc(CNCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000414922036 438722547 /nfs/dbraw/zinc/72/25/47/438722547.db2.gz BRAXGUQBYAJPQZ-UHFFFAOYSA-N 1 1 333.291 0.830 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456028864 438756289 /nfs/dbraw/zinc/75/62/89/438756289.db2.gz TUBWWIHCRUXXGM-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456028864 438756291 /nfs/dbraw/zinc/75/62/91/438756291.db2.gz TUBWWIHCRUXXGM-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000456030471 438756694 /nfs/dbraw/zinc/75/66/94/438756694.db2.gz KZVYKFBRZNPNGR-LLVKDONJSA-N 1 1 337.380 0.608 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184089 438828591 /nfs/dbraw/zinc/82/85/91/438828591.db2.gz HAUPDRBTHJIPSD-OLZOCXBDSA-N 1 1 348.407 0.609 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595612534 438834391 /nfs/dbraw/zinc/83/43/91/438834391.db2.gz RBGZUDJLGDDLIZ-HIFRSBDPSA-N 1 1 347.375 0.948 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595612532 438834761 /nfs/dbraw/zinc/83/47/61/438834761.db2.gz RBGZUDJLGDDLIZ-DZGCQCFKSA-N 1 1 347.375 0.948 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860518 438844592 /nfs/dbraw/zinc/84/45/92/438844592.db2.gz GRYZIXIVESCJFA-KGLIPLIRSA-N 1 1 335.360 0.641 20 5 ECBDMO COc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864035 438846313 /nfs/dbraw/zinc/84/63/13/438846313.db2.gz XFXAOVGRYUAZIL-CHWSQXEVSA-N 1 1 335.360 0.885 20 5 ECBDMO COc1cc(C[NH2+]C2(C(N)=O)CCOCC2)c([N+](=O)[O-])cc1F ZINC000595729570 438850818 /nfs/dbraw/zinc/85/08/18/438850818.db2.gz UDXRDMABPAZHEO-UHFFFAOYSA-N 1 1 327.312 0.867 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000590011906 438897689 /nfs/dbraw/zinc/89/76/89/438897689.db2.gz MUZCOKDNWJRZIW-GWCFXTLKSA-N 1 1 348.359 0.898 20 5 ECBDMO NC(=O)c1cccc2c1CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595901868 438882151 /nfs/dbraw/zinc/88/21/51/438882151.db2.gz BFNVFCZRFWTOEC-ZDUSSCGKSA-N 1 1 345.359 0.309 20 5 ECBDMO NC(=O)c1cccc2c1CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595901868 438882158 /nfs/dbraw/zinc/88/21/58/438882158.db2.gz BFNVFCZRFWTOEC-ZDUSSCGKSA-N 1 1 345.359 0.309 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000577961579 438885574 /nfs/dbraw/zinc/88/55/74/438885574.db2.gz WZIONZUXKWNHSM-CQSZACIVSA-N 1 1 336.392 0.553 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596119693 438927168 /nfs/dbraw/zinc/92/71/68/438927168.db2.gz MWKABMBQCCRVHC-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000596167006 438934949 /nfs/dbraw/zinc/93/49/49/438934949.db2.gz ASMSQTMJGAVDJN-SKDRFNHKSA-N 1 1 344.393 0.373 20 5 ECBDMO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000596167006 438934953 /nfs/dbraw/zinc/93/49/53/438934953.db2.gz ASMSQTMJGAVDJN-SKDRFNHKSA-N 1 1 344.393 0.373 20 5 ECBDMO NC(=O)c1cc(N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596248503 438947184 /nfs/dbraw/zinc/94/71/84/438947184.db2.gz YSBFSUYTJGGMRA-CYBMUJFWSA-N 1 1 334.376 0.995 20 5 ECBDMO COc1ccc(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000518963304 439015029 /nfs/dbraw/zinc/01/50/29/439015029.db2.gz PWYPUYDWEBOIFA-ZDUSSCGKSA-N 1 1 336.392 0.508 20 5 ECBDMO COc1ccc(CC(=O)NC[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000518963304 439015035 /nfs/dbraw/zinc/01/50/35/439015035.db2.gz PWYPUYDWEBOIFA-ZDUSSCGKSA-N 1 1 336.392 0.508 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000487184741 439137858 /nfs/dbraw/zinc/13/78/58/439137858.db2.gz HRYPPHVQCRUCDQ-UHFFFAOYSA-N 1 1 331.319 0.846 20 5 ECBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694553 439213575 /nfs/dbraw/zinc/21/35/75/439213575.db2.gz HRVAQBPWWGOZEE-LLVKDONJSA-N 1 1 328.394 0.952 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598609271 439286627 /nfs/dbraw/zinc/28/66/27/439286627.db2.gz WMRGXMZXGFNKQV-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100947 439342202 /nfs/dbraw/zinc/34/22/02/439342202.db2.gz QDAPONKSTZLKAR-CEZNZBFCSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100947 439342207 /nfs/dbraw/zinc/34/22/07/439342207.db2.gz QDAPONKSTZLKAR-CEZNZBFCSA-N 1 1 326.374 0.540 20 5 ECBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599207918 439380776 /nfs/dbraw/zinc/38/07/76/439380776.db2.gz UAGPNRDELKLPQJ-NSHDSACASA-N 1 1 345.425 0.871 20 5 ECBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000593560469 439405959 /nfs/dbraw/zinc/40/59/59/439405959.db2.gz OUVXKIWWTMGHRX-ZJUUUORDSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000593560469 439405965 /nfs/dbraw/zinc/40/59/65/439405965.db2.gz OUVXKIWWTMGHRX-ZJUUUORDSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562556 439406632 /nfs/dbraw/zinc/40/66/32/439406632.db2.gz GGYVFUOXXKCEKJ-CABZTGNLSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562556 439406634 /nfs/dbraw/zinc/40/66/34/439406634.db2.gz GGYVFUOXXKCEKJ-CABZTGNLSA-N 1 1 326.378 0.751 20 5 ECBDMO C[NH+](C)CCN1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1=O ZINC000593784203 439466458 /nfs/dbraw/zinc/46/64/58/439466458.db2.gz JVULNQDRBVQHDF-UHFFFAOYSA-N 1 1 336.348 0.146 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000599623126 439522168 /nfs/dbraw/zinc/52/21/68/439522168.db2.gz SHUYKBRFBMRVFH-UHFFFAOYSA-N 1 1 334.376 0.765 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000599623126 439522171 /nfs/dbraw/zinc/52/21/71/439522171.db2.gz SHUYKBRFBMRVFH-UHFFFAOYSA-N 1 1 334.376 0.765 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633805 439522406 /nfs/dbraw/zinc/52/24/06/439522406.db2.gz WTUTVFKNQSXHHK-GPAUDHNESA-N 1 1 325.390 0.742 20 5 ECBDMO Cc1c(C[NH+]2CCC(NS(N)(=O)=O)CC2)cccc1[N+](=O)[O-] ZINC000599646622 439526570 /nfs/dbraw/zinc/52/65/70/439526570.db2.gz IZPDCJJKRFUZIZ-UHFFFAOYSA-N 1 1 328.394 0.661 20 5 ECBDMO CNc1nccc(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000594292098 439536111 /nfs/dbraw/zinc/53/61/11/439536111.db2.gz PAARWSGHZBZNMH-NSHDSACASA-N 1 1 337.380 0.872 20 5 ECBDMO Nc1nccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000594291513 439536184 /nfs/dbraw/zinc/53/61/84/439536184.db2.gz IIUHPEHXRVXZEN-NEPJUHHUSA-N 1 1 335.364 0.243 20 5 ECBDMO CCc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000571878177 439540214 /nfs/dbraw/zinc/54/02/14/439540214.db2.gz PTPKUQZNRGDXSX-CQSZACIVSA-N 1 1 343.405 0.502 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112594 439550583 /nfs/dbraw/zinc/55/05/83/439550583.db2.gz GKVQUJZBNLDZIB-LBPRGKRZSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112594 439550590 /nfs/dbraw/zinc/55/05/90/439550590.db2.gz GKVQUJZBNLDZIB-LBPRGKRZSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112594 439550594 /nfs/dbraw/zinc/55/05/94/439550594.db2.gz GKVQUJZBNLDZIB-LBPRGKRZSA-N 1 1 337.380 0.953 20 5 ECBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609479025 439571422 /nfs/dbraw/zinc/57/14/22/439571422.db2.gz QYAVXQDYTAKDMO-JTQLQIEISA-N 1 1 325.369 0.721 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000594789327 439612297 /nfs/dbraw/zinc/61/22/97/439612297.db2.gz LEQQONVFINGQIY-SNVBAGLBSA-N 1 1 345.425 0.962 20 5 ECBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC000610604428 439630446 /nfs/dbraw/zinc/63/04/46/439630446.db2.gz RQEASEREJHNBGW-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1CCCS1(=O)=O ZINC000610604428 439630448 /nfs/dbraw/zinc/63/04/48/439630448.db2.gz RQEASEREJHNBGW-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO O=C(CCN[C@@H](CO)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573444952 439646386 /nfs/dbraw/zinc/64/63/86/439646386.db2.gz ITMQLDVDWDIMCK-CYBMUJFWSA-N 1 1 336.392 0.970 20 5 ECBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](O)C1CC1 ZINC000610967330 439662419 /nfs/dbraw/zinc/66/24/19/439662419.db2.gz YFVXHSGSXHLWCJ-LBPRGKRZSA-N 1 1 337.332 0.965 20 5 ECBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](O)C1CC1 ZINC000610967330 439662422 /nfs/dbraw/zinc/66/24/22/439662422.db2.gz YFVXHSGSXHLWCJ-LBPRGKRZSA-N 1 1 337.332 0.965 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C2)C1 ZINC000574305839 439697515 /nfs/dbraw/zinc/69/75/15/439697515.db2.gz CTOIPUAEWZAQFJ-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000614894441 439789969 /nfs/dbraw/zinc/78/99/69/439789969.db2.gz CRYCPAHLBNOGHI-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000614894441 439789970 /nfs/dbraw/zinc/78/99/70/439789970.db2.gz CRYCPAHLBNOGHI-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO O=C1CC[C@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476887 321223175 /nfs/dbraw/zinc/22/31/75/321223175.db2.gz JLUMGQKGQJOKGH-KBPBESRZSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476887 321223177 /nfs/dbraw/zinc/22/31/77/321223177.db2.gz JLUMGQKGQJOKGH-KBPBESRZSA-N 1 1 335.360 0.641 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347218369 321234030 /nfs/dbraw/zinc/23/40/30/321234030.db2.gz HUKVRSGCZNMXTF-SNVBAGLBSA-N 1 1 325.369 0.165 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000347508746 321241833 /nfs/dbraw/zinc/24/18/33/321241833.db2.gz IHKJBQRRJBZNDF-NSHDSACASA-N 1 1 325.369 0.295 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+](C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639298 321284292 /nfs/dbraw/zinc/28/42/92/321284292.db2.gz CVEVWSLSUMIKFL-QWHCGFSZSA-N 1 1 340.332 0.338 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639298 321284294 /nfs/dbraw/zinc/28/42/94/321284294.db2.gz CVEVWSLSUMIKFL-QWHCGFSZSA-N 1 1 340.332 0.338 20 5 ECBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1COC[C@@H]1O ZINC000352799841 321372918 /nfs/dbraw/zinc/37/29/18/321372918.db2.gz MYPRFESLRQIYEH-STQMWFEESA-N 1 1 337.332 0.584 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000353140449 321382953 /nfs/dbraw/zinc/38/29/53/321382953.db2.gz PLLATOICRJKZOT-MELADBBJSA-N 1 1 338.364 0.283 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000184341382 528552259 /nfs/dbraw/zinc/55/22/59/528552259.db2.gz RLGNGVCGKGQWAI-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000750080922 579347148 /nfs/dbraw/zinc/34/71/48/579347148.db2.gz KLMWWEIHCDCXPX-BXUZGUMPSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000750080922 579347149 /nfs/dbraw/zinc/34/71/49/579347149.db2.gz KLMWWEIHCDCXPX-BXUZGUMPSA-N 1 1 328.390 0.995 20 5 ECBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[N@H+]1CCCOCC1 ZINC000783843159 578746857 /nfs/dbraw/zinc/74/68/57/578746857.db2.gz WGZWUKWCSDXUCJ-UHFFFAOYSA-N 1 1 347.375 0.783 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893939984 586367543 /nfs/dbraw/zinc/36/75/43/586367543.db2.gz LMTZSAKAQCEZJL-IINYFYTJSA-N 1 1 340.405 0.643 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822984529 587694273 /nfs/dbraw/zinc/69/42/73/587694273.db2.gz IJFCICXCKIBKIH-ZDUSSCGKSA-N 1 1 342.440 0.881 20 5 ECBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000823625392 587735336 /nfs/dbraw/zinc/73/53/36/587735336.db2.gz UBNVJCIPTHMLNP-ZJUUUORDSA-N 1 1 346.351 0.445 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000826159290 588002072 /nfs/dbraw/zinc/00/20/72/588002072.db2.gz AGWKRYCBBKSGSB-NSHDSACASA-N 1 1 347.379 0.932 20 5 ECBDMO CNc1nccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406512 589245961 /nfs/dbraw/zinc/24/59/61/589245961.db2.gz CQSIKZBCGPCLMZ-WDEREUQCSA-N 1 1 335.364 0.625 20 5 ECBDMO O=C(N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000848305609 589287530 /nfs/dbraw/zinc/28/75/30/589287530.db2.gz DILQLLGZNOEJMT-QWHCGFSZSA-N 1 1 341.314 0.964 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307352 589287895 /nfs/dbraw/zinc/28/78/95/589287895.db2.gz ISKICZPIEAOVCH-QWHCGFSZSA-N 1 1 336.304 0.394 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000852435900 589496463 /nfs/dbraw/zinc/49/64/63/589496463.db2.gz SOKODXVEOGWKAJ-GFCCVEGCSA-N 1 1 334.332 0.720 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000852435900 589496464 /nfs/dbraw/zinc/49/64/64/589496464.db2.gz SOKODXVEOGWKAJ-GFCCVEGCSA-N 1 1 334.332 0.720 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641695 589597707 /nfs/dbraw/zinc/59/77/07/589597707.db2.gz FBGGNCRJZMBXTA-BZUAXINKSA-N 1 1 349.387 0.950 20 5 ECBDMO O=C(NCC[N@H+]1CC[C@H](O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000863524296 590020563 /nfs/dbraw/zinc/02/05/63/590020563.db2.gz AYOJUYCVWWUWGX-NSHDSACASA-N 1 1 345.302 0.749 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000863524296 590020565 /nfs/dbraw/zinc/02/05/65/590020565.db2.gz AYOJUYCVWWUWGX-NSHDSACASA-N 1 1 345.302 0.749 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000880613234 590411740 /nfs/dbraw/zinc/41/17/40/590411740.db2.gz QWJZHIZPJRINAD-AWEZNQCLSA-N 1 1 336.392 0.945 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000880613234 590411743 /nfs/dbraw/zinc/41/17/43/590411743.db2.gz QWJZHIZPJRINAD-AWEZNQCLSA-N 1 1 336.392 0.945 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879355726 590581921 /nfs/dbraw/zinc/58/19/21/590581921.db2.gz KUIRHELNYWRBTP-HNNXBMFYSA-N 1 1 336.392 0.334 20 5 ECBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295412253 611367039 /nfs/dbraw/zinc/36/70/39/611367039.db2.gz MUPISWDZYAFGJL-CABCVRRESA-N 1 1 334.376 0.938 20 5 ECBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295412253 611367043 /nfs/dbraw/zinc/36/70/43/611367043.db2.gz MUPISWDZYAFGJL-CABCVRRESA-N 1 1 334.376 0.938 20 5 ECBDMO CCOc1cc(N2CC[NH+](C[C@H](O)CO)CC2)ccc1[N+](=O)[O-] ZINC000930284705 611408673 /nfs/dbraw/zinc/40/86/73/611408673.db2.gz AKMHICNPBZXBOZ-ZDUSSCGKSA-N 1 1 325.365 0.469 20 5 ECBDMO C[C@H]1[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000925334155 611470764 /nfs/dbraw/zinc/47/07/64/611470764.db2.gz AONHDPALJHRBLU-QWHCGFSZSA-N 1 1 348.407 0.914 20 5 ECBDMO C[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000931403085 611536201 /nfs/dbraw/zinc/53/62/01/611536201.db2.gz IWGUXMCOUBFDJR-HUUCEWRRSA-N 1 1 334.376 0.308 20 5 ECBDMO C[N@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000931403085 611536204 /nfs/dbraw/zinc/53/62/04/611536204.db2.gz IWGUXMCOUBFDJR-HUUCEWRRSA-N 1 1 334.376 0.308 20 5 ECBDMO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472331 609876927 /nfs/dbraw/zinc/87/69/27/609876927.db2.gz IPNQMSBBXYKDFQ-XPTSAGLGSA-N 1 1 329.303 0.944 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472331 609876928 /nfs/dbraw/zinc/87/69/28/609876928.db2.gz IPNQMSBBXYKDFQ-XPTSAGLGSA-N 1 1 329.303 0.944 20 5 ECBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164690227 719736100 /nfs/dbraw/zinc/73/61/00/719736100.db2.gz VXONYFFIFPUYSP-UHFFFAOYSA-N 1 1 348.407 0.753 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997776279 743804743 /nfs/dbraw/zinc/80/47/43/743804743.db2.gz MAURXBAJZNUTJG-HUUCEWRRSA-N 1 1 325.409 0.906 20 5 ECBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983652371 744997494 /nfs/dbraw/zinc/99/74/94/744997494.db2.gz BSEUIGOELQVQNO-YIKOMLBNSA-N 1 1 333.392 0.479 20 5 ECBDMO COc1nccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983653118 745000208 /nfs/dbraw/zinc/00/02/08/745000208.db2.gz GYDLLHSKTQCBJR-OJAKKHQRSA-N 1 1 335.364 0.135 20 5 ECBDMO Cc1cc(C)n(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001000673438 745687627 /nfs/dbraw/zinc/68/76/27/745687627.db2.gz FMEJSANWGIPSCP-HZPDHXFCSA-N 1 1 347.419 0.913 20 5 ECBDMO Cc1cc(C)n(CC[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000673438 745687630 /nfs/dbraw/zinc/68/76/30/745687630.db2.gz FMEJSANWGIPSCP-HZPDHXFCSA-N 1 1 347.419 0.913 20 5 ECBDMO Cc1cc(C)n(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000673438 745687633 /nfs/dbraw/zinc/68/76/33/745687633.db2.gz FMEJSANWGIPSCP-HZPDHXFCSA-N 1 1 347.419 0.913 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000675805 745689882 /nfs/dbraw/zinc/68/98/82/745689882.db2.gz VNBUNJLUOINUJX-HUUCEWRRSA-N 1 1 333.392 0.642 20 5 ECBDMO CN(C(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001001396858 746338536 /nfs/dbraw/zinc/33/85/36/746338536.db2.gz TWWSJLHZYXWXPX-ZIAGYGMSSA-N 1 1 338.408 0.101 20 5 ECBDMO Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC001001401027 746342463 /nfs/dbraw/zinc/34/24/63/746342463.db2.gz XIBKIKFDYAZYEQ-HUUCEWRRSA-N 1 1 333.392 0.778 20 5 ECBDMO Cn1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC000985430274 747990806 /nfs/dbraw/zinc/99/08/06/747990806.db2.gz DHDXIFKFVREGMV-HUUCEWRRSA-N 1 1 348.403 0.473 20 5 ECBDMO Cn1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000985430274 747990808 /nfs/dbraw/zinc/99/08/08/747990808.db2.gz DHDXIFKFVREGMV-HUUCEWRRSA-N 1 1 348.403 0.473 20 5 ECBDMO Cn1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000985430274 747990813 /nfs/dbraw/zinc/99/08/13/747990813.db2.gz DHDXIFKFVREGMV-HUUCEWRRSA-N 1 1 348.403 0.473 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936472 756760491 /nfs/dbraw/zinc/76/04/91/756760491.db2.gz JTOCRQWWKGWOEH-CHWSQXEVSA-N 1 1 336.348 0.005 20 5 ECBDMO COc1ccc(COCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126939462 756809205 /nfs/dbraw/zinc/80/92/05/756809205.db2.gz ZNYXVXWIWURKKP-HUUCEWRRSA-N 1 1 337.376 0.583 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996429317 757657424 /nfs/dbraw/zinc/65/74/24/757657424.db2.gz PJKGXKKVSYCRHU-HZPDHXFCSA-N 1 1 333.388 0.925 20 5 ECBDMO Cn1c(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)c[nH]c1=O ZINC001031899105 763444784 /nfs/dbraw/zinc/44/47/84/763444784.db2.gz RSZHKRFPHXBKCY-UHFFFAOYSA-N 1 1 345.359 0.896 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cn[nH]c(=O)c1 ZINC001031750800 767149507 /nfs/dbraw/zinc/14/95/07/767149507.db2.gz HUZHBHKINARFRX-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO CC(C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055502078 768954657 /nfs/dbraw/zinc/95/46/57/768954657.db2.gz QTOHEBVQQDCTJC-ZIAGYGMSSA-N 1 1 340.424 0.395 20 5 ECBDMO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)CC[N@@H+](C)CC ZINC001106841345 770074246 /nfs/dbraw/zinc/07/42/46/770074246.db2.gz DHDKZLGUWQDWTI-UHFFFAOYSA-N 1 1 339.400 0.569 20 5 ECBDMO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001020139004 772205669 /nfs/dbraw/zinc/20/56/69/772205669.db2.gz MDCHROIEOAQJLM-YJFSRANCSA-N 1 1 326.378 0.554 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139640 772206507 /nfs/dbraw/zinc/20/65/07/772206507.db2.gz JBZPFKGYYSXTNO-FPQZTECRSA-N 1 1 347.375 0.462 20 5 ECBDMO Cc1cc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC001072724816 788651712 /nfs/dbraw/zinc/65/17/12/788651712.db2.gz FSYVKSRZASOOCY-HUUCEWRRSA-N 1 1 347.419 0.699 20 5 ECBDMO Cc1cc(C)n(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072724816 788651715 /nfs/dbraw/zinc/65/17/15/788651715.db2.gz FSYVKSRZASOOCY-HUUCEWRRSA-N 1 1 347.419 0.699 20 5 ECBDMO Cc1cc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072724816 788651717 /nfs/dbraw/zinc/65/17/17/788651717.db2.gz FSYVKSRZASOOCY-HUUCEWRRSA-N 1 1 347.419 0.699 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)n1 ZINC000427842659 210223181 /nfs/dbraw/zinc/22/31/81/210223181.db2.gz KVCVZEDGMOPLSX-NSHDSACASA-N 1 1 325.369 0.652 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000427492875 210204439 /nfs/dbraw/zinc/20/44/39/210204439.db2.gz NTLGWUHSKCTPNR-NSHDSACASA-N 1 1 325.369 0.340 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313312 299237008 /nfs/dbraw/zinc/23/70/08/299237008.db2.gz HEYCESQQMFONCS-CHWSQXEVSA-N 1 1 336.348 0.631 20 5 ECBDMO O=C1[C@@H](N2CC[NH+](CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374616 202055557 /nfs/dbraw/zinc/05/55/57/202055557.db2.gz NQKUYQKMNYQFEI-HNNXBMFYSA-N 1 1 334.376 0.310 20 5 ECBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189841341 237307103 /nfs/dbraw/zinc/30/71/03/237307103.db2.gz DJNLUQGFMQEEHZ-LBPRGKRZSA-N 1 1 335.408 0.933 20 5 ECBDMO CC(C)OCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000074391547 203287933 /nfs/dbraw/zinc/28/79/33/203287933.db2.gz HZSGXWQUAUEDAE-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(CO)CO ZINC000159577886 206253215 /nfs/dbraw/zinc/25/32/15/206253215.db2.gz PYUMKVWRXATQQS-LLVKDONJSA-N 1 1 325.365 0.845 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(CO)CO ZINC000159577886 206253220 /nfs/dbraw/zinc/25/32/20/206253220.db2.gz PYUMKVWRXATQQS-LLVKDONJSA-N 1 1 325.365 0.845 20 5 ECBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000266137546 248123842 /nfs/dbraw/zinc/12/38/42/248123842.db2.gz PUPDTSPSJMOMOW-UHFFFAOYSA-N 1 1 336.348 0.666 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000266469330 248317096 /nfs/dbraw/zinc/31/70/96/248317096.db2.gz RFZNDKIGKKMFRM-AWEZNQCLSA-N 1 1 335.364 0.563 20 5 ECBDMO CCOC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491483 248329414 /nfs/dbraw/zinc/32/94/14/248329414.db2.gz VMTZWSQCZKUXIO-AAEUAGOBSA-N 1 1 341.368 0.363 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446900724 211162350 /nfs/dbraw/zinc/16/23/50/211162350.db2.gz QUEHLRIVUIYCNV-OAHLLOKOSA-N 1 1 348.363 0.337 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268599941 252056222 /nfs/dbraw/zinc/05/62/22/252056222.db2.gz WKVMEDAIRFOUST-CHWSQXEVSA-N 1 1 340.380 0.958 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268599941 252056225 /nfs/dbraw/zinc/05/62/25/252056225.db2.gz WKVMEDAIRFOUST-CHWSQXEVSA-N 1 1 340.380 0.958 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192489666 165044115 /nfs/dbraw/zinc/04/41/15/165044115.db2.gz RCRSTFVRDHOIBX-BETUJISGSA-N 1 1 332.360 0.345 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245535898 165106908 /nfs/dbraw/zinc/10/69/08/165106908.db2.gz KYBCLOKRZRQSKT-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245535898 165106912 /nfs/dbraw/zinc/10/69/12/165106912.db2.gz KYBCLOKRZRQSKT-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO [NH3+]Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000261606874 165212651 /nfs/dbraw/zinc/21/26/51/165212651.db2.gz BHWCYKFEDBVJCQ-UHFFFAOYSA-N 1 1 346.347 0.395 20 5 ECBDMO COC(=O)C[C@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270586279 263254598 /nfs/dbraw/zinc/25/45/98/263254598.db2.gz SAJYKGLAYHIGAP-LBPRGKRZSA-N 1 1 341.389 0.737 20 5 ECBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270586279 263254599 /nfs/dbraw/zinc/25/45/99/263254599.db2.gz SAJYKGLAYHIGAP-LBPRGKRZSA-N 1 1 341.389 0.737 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000272775607 263371657 /nfs/dbraw/zinc/37/16/57/263371657.db2.gz CYIZEWVLWQLKHW-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1(CO)CC1 ZINC000275436798 263599697 /nfs/dbraw/zinc/59/96/97/263599697.db2.gz JVUWJBGSKMYEHE-UHFFFAOYSA-N 1 1 337.332 0.966 20 5 ECBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC1(CO)CC1 ZINC000275436798 263599699 /nfs/dbraw/zinc/59/96/99/263599699.db2.gz JVUWJBGSKMYEHE-UHFFFAOYSA-N 1 1 337.332 0.966 20 5 ECBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000283143491 264087506 /nfs/dbraw/zinc/08/75/06/264087506.db2.gz BUSNBIAOTIQWIV-NSHDSACASA-N 1 1 338.364 0.746 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283864142 264160713 /nfs/dbraw/zinc/16/07/13/264160713.db2.gz HOVDANQBKMNLJB-SECBINFHSA-N 1 1 325.344 0.292 20 5 ECBDMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000285501405 264318155 /nfs/dbraw/zinc/31/81/55/264318155.db2.gz FGHIIESRIQQECV-LBPRGKRZSA-N 1 1 331.398 0.147 20 5 ECBDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000285501405 264318158 /nfs/dbraw/zinc/31/81/58/264318158.db2.gz FGHIIESRIQQECV-LBPRGKRZSA-N 1 1 331.398 0.147 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285524452 264320142 /nfs/dbraw/zinc/32/01/42/264320142.db2.gz KMNBAKNUZUYWCI-CHWSQXEVSA-N 1 1 339.348 0.624 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291628541 437612184 /nfs/dbraw/zinc/61/21/84/437612184.db2.gz BHOBOEHCFYCOPS-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361333291 300083555 /nfs/dbraw/zinc/08/35/55/300083555.db2.gz AXEABLORTFTVTD-XBFCOCLRSA-N 1 1 335.360 0.687 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361511565 300103149 /nfs/dbraw/zinc/10/31/49/300103149.db2.gz SXXFVYLRDJTKFN-KWCYVHTRSA-N 1 1 326.353 0.032 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366143279 300520338 /nfs/dbraw/zinc/52/03/38/300520338.db2.gz OKARWKWONYSCTE-AWEZNQCLSA-N 1 1 347.375 0.368 20 5 ECBDMO CN1CCC[C@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372557409 301008995 /nfs/dbraw/zinc/00/89/95/301008995.db2.gz MMQWEAOPAHXBSR-DZGCQCFKSA-N 1 1 337.380 0.097 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720868 301022237 /nfs/dbraw/zinc/02/22/37/301022237.db2.gz BOBMQCQXZXVXHO-NSHDSACASA-N 1 1 339.396 0.799 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720868 301022239 /nfs/dbraw/zinc/02/22/39/301022239.db2.gz BOBMQCQXZXVXHO-NSHDSACASA-N 1 1 339.396 0.799 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720868 301022240 /nfs/dbraw/zinc/02/22/40/301022240.db2.gz BOBMQCQXZXVXHO-NSHDSACASA-N 1 1 339.396 0.799 20 5 ECBDMO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000374597449 301115909 /nfs/dbraw/zinc/11/59/09/301115909.db2.gz UVOCJADSJDLLQB-CYBMUJFWSA-N 1 1 336.440 0.929 20 5 ECBDMO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C1CCN(C)CC1 ZINC000374597449 301115910 /nfs/dbraw/zinc/11/59/10/301115910.db2.gz UVOCJADSJDLLQB-CYBMUJFWSA-N 1 1 336.440 0.929 20 5 ECBDMO COc1ccc(OCC[N@@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375235492 301161339 /nfs/dbraw/zinc/16/13/39/301161339.db2.gz ZFQZEFWLXGWTAK-ZDUSSCGKSA-N 1 1 337.376 0.999 20 5 ECBDMO COc1ccc(OCC[N@H+]2CCN3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375235492 301161342 /nfs/dbraw/zinc/16/13/42/301161342.db2.gz ZFQZEFWLXGWTAK-ZDUSSCGKSA-N 1 1 337.376 0.999 20 5 ECBDMO O=C(CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000375402266 301172048 /nfs/dbraw/zinc/17/20/48/301172048.db2.gz JEEPTBLTXSJSLQ-ZDUSSCGKSA-N 1 1 337.380 0.677 20 5 ECBDMO C[C@](O)(CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000080894025 436329583 /nfs/dbraw/zinc/32/95/83/436329583.db2.gz WMJOMWFZMTZQAQ-RTRPANQVSA-N 1 1 349.387 0.807 20 5 ECBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000083245769 436369995 /nfs/dbraw/zinc/36/99/95/436369995.db2.gz IYLMRXVACJSMBC-HNNXBMFYSA-N 1 1 339.392 0.599 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000046228155 436390563 /nfs/dbraw/zinc/39/05/63/436390563.db2.gz BVCQGTDCDWOZOP-UHFFFAOYSA-N 1 1 335.364 0.880 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000051353194 436487709 /nfs/dbraw/zinc/48/77/09/436487709.db2.gz AZXFCHYEKBVKDJ-TXEJJXNPSA-N 1 1 325.369 0.407 20 5 ECBDMO COCC[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109130652 436624018 /nfs/dbraw/zinc/62/40/18/436624018.db2.gz IWZAEMTUBOSCAH-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000063091117 436641808 /nfs/dbraw/zinc/64/18/08/436641808.db2.gz UVTHEPLEGGQXOC-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271881546 436696384 /nfs/dbraw/zinc/69/63/84/436696384.db2.gz LPPCTGQGTSYIMZ-UHFFFAOYSA-N 1 1 348.359 0.920 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000125267975 436767430 /nfs/dbraw/zinc/76/74/30/436767430.db2.gz WPBVQTYNZXHIMW-MNOVXSKESA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1C[C@@H](C)O ZINC000125267975 436767432 /nfs/dbraw/zinc/76/74/32/436767432.db2.gz WPBVQTYNZXHIMW-MNOVXSKESA-N 1 1 325.369 0.246 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372318 436749386 /nfs/dbraw/zinc/74/93/86/436749386.db2.gz RVXATSWWUFTPMC-VXGBXAGGSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372318 436749389 /nfs/dbraw/zinc/74/93/89/436749389.db2.gz RVXATSWWUFTPMC-VXGBXAGGSA-N 1 1 336.348 0.044 20 5 ECBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246282725 436776931 /nfs/dbraw/zinc/77/69/31/436776931.db2.gz NTLHIWBYVTUBJW-TZMCWYRMSA-N 1 1 334.380 0.895 20 5 ECBDMO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000249601794 436824972 /nfs/dbraw/zinc/82/49/72/436824972.db2.gz YODXPWAKSLADKN-UONOGXRCSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000249601794 436824976 /nfs/dbraw/zinc/82/49/76/436824976.db2.gz YODXPWAKSLADKN-UONOGXRCSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000249601794 436824979 /nfs/dbraw/zinc/82/49/79/436824979.db2.gz YODXPWAKSLADKN-UONOGXRCSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157944250 436836083 /nfs/dbraw/zinc/83/60/83/436836083.db2.gz LEEKRKMVILTSOP-DOMZBBRYSA-N 1 1 336.392 0.866 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157944250 436836085 /nfs/dbraw/zinc/83/60/85/436836085.db2.gz LEEKRKMVILTSOP-DOMZBBRYSA-N 1 1 336.392 0.866 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000280696234 436913236 /nfs/dbraw/zinc/91/32/36/436913236.db2.gz ADLVPUSVRVRMJY-OAHLLOKOSA-N 1 1 335.364 0.432 20 5 ECBDMO COc1cc(CCNC(=O)[C@@H]2CSC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000262206236 436915692 /nfs/dbraw/zinc/91/56/92/436915692.db2.gz KCDXCEPQXHPEMG-JTQLQIEISA-N 1 1 341.389 0.933 20 5 ECBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000275387886 436962723 /nfs/dbraw/zinc/96/27/23/436962723.db2.gz CAEYYMBLXAURGT-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000275387886 436962726 /nfs/dbraw/zinc/96/27/26/436962726.db2.gz CAEYYMBLXAURGT-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882069 436930935 /nfs/dbraw/zinc/93/09/35/436930935.db2.gz DLOUZHBCQFDGOU-MLGOLLRUSA-N 1 1 346.343 0.424 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882069 436930938 /nfs/dbraw/zinc/93/09/38/436930938.db2.gz DLOUZHBCQFDGOU-MLGOLLRUSA-N 1 1 346.343 0.424 20 5 ECBDMO CNS(=O)(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000280937347 436934815 /nfs/dbraw/zinc/93/48/15/436934815.db2.gz HMCZAXAKYYAYEP-UHFFFAOYSA-N 1 1 328.394 0.613 20 5 ECBDMO CCOc1ccc(NC(=O)C[N@H+](C)CCC(=O)NC)c([N+](=O)[O-])c1 ZINC000263913631 437001900 /nfs/dbraw/zinc/00/19/00/437001900.db2.gz NZSAPYIFXACSLQ-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCC(=O)NC)c([N+](=O)[O-])c1 ZINC000263913631 437001903 /nfs/dbraw/zinc/00/19/03/437001903.db2.gz NZSAPYIFXACSLQ-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000298341167 437036303 /nfs/dbraw/zinc/03/63/03/437036303.db2.gz DVXYRSJSPFFBIL-UHFFFAOYSA-N 1 1 338.364 0.272 20 5 ECBDMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173625053 437058330 /nfs/dbraw/zinc/05/83/30/437058330.db2.gz ICZSUBJBDSQVIO-DGCLKSJQSA-N 1 1 325.369 0.130 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264780448 437083312 /nfs/dbraw/zinc/08/33/12/437083312.db2.gz RVKDYZKDLJBUDV-NSHDSACASA-N 1 1 332.364 0.447 20 5 ECBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515675 437085594 /nfs/dbraw/zinc/08/55/94/437085594.db2.gz NVBVDPBBYOXBIM-OLZOCXBDSA-N 1 1 336.392 0.993 20 5 ECBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174864303 437089397 /nfs/dbraw/zinc/08/93/97/437089397.db2.gz VQYQERBMAPUACZ-CYBMUJFWSA-N 1 1 326.353 0.835 20 5 ECBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000285995024 437086583 /nfs/dbraw/zinc/08/65/83/437086583.db2.gz IHOHXJIJJNUKIB-SNVBAGLBSA-N 1 1 339.377 0.947 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276376646 437095995 /nfs/dbraw/zinc/09/59/95/437095995.db2.gz PIMDBCOQIDSUKG-ZDUSSCGKSA-N 1 1 335.364 0.247 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331688613 437143914 /nfs/dbraw/zinc/14/39/14/437143914.db2.gz WEEJNUUCCDAUDQ-UHFFFAOYSA-N 1 1 347.379 0.609 20 5 ECBDMO NC(=O)C1=NO[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000276537505 437123515 /nfs/dbraw/zinc/12/35/15/437123515.db2.gz XCJBJDYIPQSISR-SECBINFHSA-N 1 1 344.274 0.916 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178165890 437208298 /nfs/dbraw/zinc/20/82/98/437208298.db2.gz UHHKIHIHTDFNII-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178531213 437218409 /nfs/dbraw/zinc/21/84/09/437218409.db2.gz YKWNAETVHSSBEJ-YPMHNXCESA-N 1 1 340.380 0.816 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)C[C@H](C)O1 ZINC000180512962 437292406 /nfs/dbraw/zinc/29/24/06/437292406.db2.gz ZTEUBWPAAHYTPW-PHIMTYICSA-N 1 1 337.380 0.801 20 5 ECBDMO NS(=O)(=O)c1cccc(N2CCC[N@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000183850016 437392687 /nfs/dbraw/zinc/39/26/87/437392687.db2.gz IHUMVLDQFJYCFB-UHFFFAOYSA-N 1 1 340.405 0.917 20 5 ECBDMO Cc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000186667002 437481448 /nfs/dbraw/zinc/48/14/48/437481448.db2.gz HLJJBPKNBSXKEU-AWEZNQCLSA-N 1 1 346.387 0.940 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCSCC1 ZINC000269039750 437447912 /nfs/dbraw/zinc/44/79/12/437447912.db2.gz MATZAXLIEJGGJB-UHFFFAOYSA-N 1 1 328.398 0.139 20 5 ECBDMO COc1ccc(C[NH+]2CCC(S(N)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000330528097 437539174 /nfs/dbraw/zinc/53/91/74/437539174.db2.gz RJZTXYXXJFOUEK-UHFFFAOYSA-N 1 1 329.378 0.856 20 5 ECBDMO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190833784 437637675 /nfs/dbraw/zinc/63/76/75/437637675.db2.gz GDAIPEQOXZISDJ-NWDGAFQWSA-N 1 1 325.365 0.621 20 5 ECBDMO C[C@@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190833784 437637683 /nfs/dbraw/zinc/63/76/83/437637683.db2.gz GDAIPEQOXZISDJ-NWDGAFQWSA-N 1 1 325.365 0.621 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C2)C1 ZINC000292329139 437681547 /nfs/dbraw/zinc/68/15/47/437681547.db2.gz PHEZCBGWSOWQBW-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000331373009 437746800 /nfs/dbraw/zinc/74/68/00/437746800.db2.gz JOGKGOCEFCUKJH-LBPRGKRZSA-N 1 1 337.380 0.431 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370709714 437822254 /nfs/dbraw/zinc/82/22/54/437822254.db2.gz UHCNMLRSRXTXQU-AEGPPILISA-N 1 1 348.407 0.917 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000363391345 437786221 /nfs/dbraw/zinc/78/62/21/437786221.db2.gz QUMORIXPWBXTCO-GFCCVEGCSA-N 1 1 334.376 0.890 20 5 ECBDMO CCOC(=O)[C@@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568178 437804979 /nfs/dbraw/zinc/80/49/79/437804979.db2.gz GZGQLRPCTSTLCX-KGLIPLIRSA-N 1 1 340.380 0.960 20 5 ECBDMO CCOC(=O)[C@@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568178 437804984 /nfs/dbraw/zinc/80/49/84/437804984.db2.gz GZGQLRPCTSTLCX-KGLIPLIRSA-N 1 1 340.380 0.960 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000416303313 437914302 /nfs/dbraw/zinc/91/43/02/437914302.db2.gz XQXAEOLLPCAKLC-VXGBXAGGSA-N 1 1 325.369 0.095 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416296615 437907784 /nfs/dbraw/zinc/90/77/84/437907784.db2.gz OHEDDPLOWMPDDL-VXGBXAGGSA-N 1 1 339.396 0.403 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357232787 437939586 /nfs/dbraw/zinc/93/95/86/437939586.db2.gz IRMPQDAIGYXJOI-UHFFFAOYSA-N 1 1 336.396 0.162 20 5 ECBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357394574 437978275 /nfs/dbraw/zinc/97/82/75/437978275.db2.gz WMEGPQIIXUKMED-ZDUSSCGKSA-N 1 1 329.378 0.727 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000372279622 438062498 /nfs/dbraw/zinc/06/24/98/438062498.db2.gz AIUDNJIFJAITLR-DGCLKSJQSA-N 1 1 326.353 0.834 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366439474 438074332 /nfs/dbraw/zinc/07/43/32/438074332.db2.gz NRPSNYDNLQHZDS-WQAKAFBOSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366439474 438074339 /nfs/dbraw/zinc/07/43/39/438074339.db2.gz NRPSNYDNLQHZDS-WQAKAFBOSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366439473 438075347 /nfs/dbraw/zinc/07/53/47/438075347.db2.gz NRPSNYDNLQHZDS-OASPWFOLSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366439473 438075352 /nfs/dbraw/zinc/07/53/52/438075352.db2.gz NRPSNYDNLQHZDS-OASPWFOLSA-N 1 1 346.343 0.516 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000358038596 438126892 /nfs/dbraw/zinc/12/68/92/438126892.db2.gz BGIWJINYOQDPMM-INIZCTEOSA-N 1 1 334.376 0.966 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000358053821 438135218 /nfs/dbraw/zinc/13/52/18/438135218.db2.gz JBNOMDIMTFNFBZ-QGZVFWFLSA-N 1 1 348.403 0.991 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358062282 438136587 /nfs/dbraw/zinc/13/65/87/438136587.db2.gz HGNSVZQYOVOBMW-MRXNPFEDSA-N 1 1 330.344 0.939 20 5 ECBDMO O=c1[nH]c(NC[C@@H]2C[N@@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367426121 438207117 /nfs/dbraw/zinc/20/71/17/438207117.db2.gz LPZCGGXHYLFIDB-GFCCVEGCSA-N 1 1 345.359 1.519 20 5 ECBDMO O=c1[nH]c(NC[C@@H]2C[N@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367426121 438207121 /nfs/dbraw/zinc/20/71/21/438207121.db2.gz LPZCGGXHYLFIDB-GFCCVEGCSA-N 1 1 345.359 1.519 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358672284 438275401 /nfs/dbraw/zinc/27/54/01/438275401.db2.gz VJLHXRLMIXGOKC-OAHLLOKOSA-N 1 1 338.364 0.469 20 5 ECBDMO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000377673262 438322276 /nfs/dbraw/zinc/32/22/76/438322276.db2.gz XBRXBNXPJYOWAW-KBPBESRZSA-N 1 1 333.392 0.457 20 5 ECBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351642910 438309421 /nfs/dbraw/zinc/30/94/21/438309421.db2.gz HDTLKGSIIMKZRT-BJOHPYRUSA-N 1 1 347.331 0.628 20 5 ECBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351642910 438309427 /nfs/dbraw/zinc/30/94/27/438309427.db2.gz HDTLKGSIIMKZRT-BJOHPYRUSA-N 1 1 347.331 0.628 20 5 ECBDMO O=C(CC[N@H+]1CCN2CCOC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368328353 438316305 /nfs/dbraw/zinc/31/63/05/438316305.db2.gz PBNCXZRVXKCCNG-HNNXBMFYSA-N 1 1 334.376 0.940 20 5 ECBDMO COC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421035011 438465216 /nfs/dbraw/zinc/46/52/16/438465216.db2.gz YWXFYJSBQJQVOH-UHFFFAOYSA-N 1 1 345.377 0.368 20 5 ECBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405488534 438469679 /nfs/dbraw/zinc/46/96/79/438469679.db2.gz OPVGYBLVSIJMHW-QWHCGFSZSA-N 1 1 337.401 0.964 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000352621122 438449701 /nfs/dbraw/zinc/44/97/01/438449701.db2.gz MAEPQNTZWJQRCU-UHFFFAOYSA-N 1 1 334.376 0.563 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443782144 438654845 /nfs/dbraw/zinc/65/48/45/438654845.db2.gz WNBBMTIUQOXZRF-UHFFFAOYSA-N 1 1 345.421 0.983 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000494721462 438706558 /nfs/dbraw/zinc/70/65/58/438706558.db2.gz MCOITIVGVHGMJJ-ZDUSSCGKSA-N 1 1 343.405 0.987 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548417257 438728288 /nfs/dbraw/zinc/72/82/88/438728288.db2.gz LRYRFEGCCUEWNL-UHFFFAOYSA-N 1 1 337.380 0.491 20 5 ECBDMO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1CCO ZINC000588023489 438813719 /nfs/dbraw/zinc/81/37/19/438813719.db2.gz JHJLYMBXKJTKRP-NSHDSACASA-N 1 1 349.391 0.288 20 5 ECBDMO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1CCO ZINC000588023489 438813727 /nfs/dbraw/zinc/81/37/27/438813727.db2.gz JHJLYMBXKJTKRP-NSHDSACASA-N 1 1 349.391 0.288 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589930343 438893073 /nfs/dbraw/zinc/89/30/73/438893073.db2.gz WNJSYQLDCBXNMB-ZWNOBZJWSA-N 1 1 341.389 0.928 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590557776 438933412 /nfs/dbraw/zinc/93/34/12/438933412.db2.gz JJJCETBWNORYRH-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO CC1(C)Cc2n[nH]cc2C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596598425 438979572 /nfs/dbraw/zinc/97/95/72/438979572.db2.gz FRJGJMQFKCVLAO-ZDUSSCGKSA-N 1 1 334.380 0.960 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196815 439036748 /nfs/dbraw/zinc/03/67/48/439036748.db2.gz CZZJGIHTEXGCPL-UHFFFAOYSA-N 1 1 344.375 0.573 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nnnn1CC1CC1 ZINC000580424072 439089322 /nfs/dbraw/zinc/08/93/22/439089322.db2.gz PWIBYRJMJMJQNH-GFCCVEGCSA-N 1 1 348.363 0.521 20 5 ECBDMO Cn1cc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602463954 439090431 /nfs/dbraw/zinc/09/04/31/439090431.db2.gz YCCQUQUQRXMAIZ-HNNXBMFYSA-N 1 1 336.440 0.930 20 5 ECBDMO NC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000591748063 439079913 /nfs/dbraw/zinc/07/99/13/439079913.db2.gz RFEMQGPELUGXOD-LLVKDONJSA-N 1 1 335.316 0.816 20 5 ECBDMO CNc1nccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597577879 439132393 /nfs/dbraw/zinc/13/23/93/439132393.db2.gz HMRZLDBZARVJNW-NEPJUHHUSA-N 1 1 337.355 1.290 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000602816304 439139423 /nfs/dbraw/zinc/13/94/23/439139423.db2.gz UXXSLHFTEYOWKN-LBPRGKRZSA-N 1 1 325.413 0.877 20 5 ECBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccncc1 ZINC000488755268 439200723 /nfs/dbraw/zinc/20/07/23/439200723.db2.gz SCMRNKDMLNQLOH-UHFFFAOYSA-N 1 1 330.348 0.884 20 5 ECBDMO CCC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525783027 439216691 /nfs/dbraw/zinc/21/66/91/439216691.db2.gz VBFPZYDSRJFIGL-CYBMUJFWSA-N 1 1 325.369 0.097 20 5 ECBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592388468 439218434 /nfs/dbraw/zinc/21/84/34/439218434.db2.gz IZXFEQKATVURKG-LLVKDONJSA-N 1 1 343.361 0.120 20 5 ECBDMO NS(=O)(=O)c1cc(N[C@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000489931108 439248267 /nfs/dbraw/zinc/24/82/67/439248267.db2.gz POSLRSHTCJNRJS-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603423992 439260011 /nfs/dbraw/zinc/26/00/11/439260011.db2.gz UBXPUWPCBZJFAB-CYBMUJFWSA-N 1 1 338.412 0.537 20 5 ECBDMO CN(C)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000603474487 439264177 /nfs/dbraw/zinc/26/41/77/439264177.db2.gz OHSYSCUJFIGHAR-UHFFFAOYSA-N 1 1 328.394 0.597 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000490522732 439271309 /nfs/dbraw/zinc/27/13/09/439271309.db2.gz BZWGVAGZIJEABK-ZDUSSCGKSA-N 1 1 343.409 0.528 20 5 ECBDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000604529774 439318988 /nfs/dbraw/zinc/31/89/88/439318988.db2.gz RCRVUENCGQULJC-UHFFFAOYSA-N 1 1 341.331 0.997 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000582063254 439286044 /nfs/dbraw/zinc/28/60/44/439286044.db2.gz VRXCMNVLPDRDKM-KBPBESRZSA-N 1 1 339.392 0.381 20 5 ECBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000568981390 439296333 /nfs/dbraw/zinc/29/63/33/439296333.db2.gz RVDYIWKHVFWBOG-GAJTVXKRSA-N 1 1 339.348 0.934 20 5 ECBDMO CC[NH+]1CCC(CCNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599243349 439397588 /nfs/dbraw/zinc/39/75/88/439397588.db2.gz UEFNDARBVGHOJN-UHFFFAOYSA-N 1 1 345.425 0.729 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000599219703 439387952 /nfs/dbraw/zinc/38/79/52/439387952.db2.gz GKYYBHCGXNWTHK-UHFFFAOYSA-N 1 1 343.409 0.481 20 5 ECBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288319 439419610 /nfs/dbraw/zinc/41/96/10/439419610.db2.gz RFMUFDIJXHNQGP-GHMZBOCLSA-N 1 1 345.425 0.727 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C[C@@H]21 ZINC000571256185 439486437 /nfs/dbraw/zinc/48/64/37/439486437.db2.gz OEKCTCHMJMFGPU-SKDRFNHKSA-N 1 1 326.378 0.383 20 5 ECBDMO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000572057545 439554848 /nfs/dbraw/zinc/55/48/48/439554848.db2.gz MYPWLQWUTMNYBD-SNVBAGLBSA-N 1 1 337.380 0.489 20 5 ECBDMO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000572057545 439554853 /nfs/dbraw/zinc/55/48/53/439554853.db2.gz MYPWLQWUTMNYBD-SNVBAGLBSA-N 1 1 337.380 0.489 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594056664 439512595 /nfs/dbraw/zinc/51/25/95/439512595.db2.gz TVMAEZFSCJVDEB-NWDGAFQWSA-N 1 1 336.348 0.886 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000584832503 439619750 /nfs/dbraw/zinc/61/97/50/439619750.db2.gz BVNWEDOYDKJKMS-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600071027 439609162 /nfs/dbraw/zinc/60/91/62/439609162.db2.gz TWPGCBOGRARLKN-GFCCVEGCSA-N 1 1 336.348 0.025 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000594800336 439616745 /nfs/dbraw/zinc/61/67/45/439616745.db2.gz CKWJBNHTRNHAKA-SNVBAGLBSA-N 1 1 345.425 0.962 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614653 439630894 /nfs/dbraw/zinc/63/08/94/439630894.db2.gz IYGCKUNRJKZPNQ-TXEJJXNPSA-N 1 1 339.348 0.360 20 5 ECBDMO CN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000573822527 439670589 /nfs/dbraw/zinc/67/05/89/439670589.db2.gz ORQMRLCYRWTYJG-GFCCVEGCSA-N 1 1 327.362 0.189 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000611512839 439703254 /nfs/dbraw/zinc/70/32/54/439703254.db2.gz NMUOLKLPDYUVCK-RNCFNFMXSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000611512839 439703257 /nfs/dbraw/zinc/70/32/57/439703257.db2.gz NMUOLKLPDYUVCK-RNCFNFMXSA-N 1 1 337.332 0.772 20 5 ECBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000600808682 439704511 /nfs/dbraw/zinc/70/45/11/439704511.db2.gz OZALDLALFHUVQH-JTQLQIEISA-N 1 1 339.348 0.408 20 5 ECBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000600532879 439675228 /nfs/dbraw/zinc/67/52/28/439675228.db2.gz OZALDLALFHUVQH-SNVBAGLBSA-N 1 1 339.348 0.408 20 5 ECBDMO CC(C)[C@]1(CO)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708215 321001055 /nfs/dbraw/zinc/00/10/55/321001055.db2.gz DHEZXYANNFIAMP-LSDHHAIUSA-N 1 1 326.397 0.883 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342373007 321087493 /nfs/dbraw/zinc/08/74/93/321087493.db2.gz VSJIBZWCMWPLDY-VXGBXAGGSA-N 1 1 338.364 0.338 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344732862 321162007 /nfs/dbraw/zinc/16/20/07/321162007.db2.gz SIRUYWVGNJMQPO-ZDUSSCGKSA-N 1 1 337.424 0.937 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000345398453 321186497 /nfs/dbraw/zinc/18/64/97/321186497.db2.gz JEXQEISVVZYSKE-UHFFFAOYSA-N 1 1 340.428 0.526 20 5 ECBDMO CN(CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)CC[NH+](C)C ZINC000345398453 321186499 /nfs/dbraw/zinc/18/64/99/321186499.db2.gz JEXQEISVVZYSKE-UHFFFAOYSA-N 1 1 340.428 0.526 20 5 ECBDMO COc1cc(C[NH+]2CCC(S(N)(=O)=O)CC2)ccc1[N+](=O)[O-] ZINC000352779522 321371940 /nfs/dbraw/zinc/37/19/40/321371940.db2.gz PWXKORXEFDOJIJ-UHFFFAOYSA-N 1 1 329.378 0.856 20 5 ECBDMO Nc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000361699605 321618925 /nfs/dbraw/zinc/61/89/25/321618925.db2.gz HDTBTRVTLXLOOS-ZFWWWQNUSA-N 1 1 334.376 0.848 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000556747170 322196518 /nfs/dbraw/zinc/19/65/18/322196518.db2.gz XAFTUDRCIUGLHV-UHFFFAOYSA-N 1 1 326.378 0.550 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000567120515 322570925 /nfs/dbraw/zinc/57/09/25/322570925.db2.gz FHZNBNDTHNKJRF-ZDUSSCGKSA-N 1 1 346.387 0.879 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186844098 545898469 /nfs/dbraw/zinc/89/84/69/545898469.db2.gz DKXOUDWITCBTHN-CYBMUJFWSA-N 1 1 342.421 0.750 20 5 ECBDMO Cc1c(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873519 546376148 /nfs/dbraw/zinc/37/61/48/546376148.db2.gz JXHWEIOYDOGTAY-HNNXBMFYSA-N 1 1 332.404 0.952 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000619873557 546376282 /nfs/dbraw/zinc/37/62/82/546376282.db2.gz MPNSBQNHXJGRIA-LBPRGKRZSA-N 1 1 344.375 0.591 20 5 ECBDMO COc1cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000725881035 578134509 /nfs/dbraw/zinc/13/45/09/578134509.db2.gz PLZSFCBXKYACGX-UHFFFAOYSA-N 1 1 336.348 0.283 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCNC(=O)C1 ZINC000726791413 578147733 /nfs/dbraw/zinc/14/77/33/578147733.db2.gz CXUIGUOXGGKRJT-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCNC(=O)C1 ZINC000726791413 578147735 /nfs/dbraw/zinc/14/77/35/578147735.db2.gz CXUIGUOXGGKRJT-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000726983391 578152121 /nfs/dbraw/zinc/15/21/21/578152121.db2.gz UKDFTFOKKWLMAW-UHFFFAOYSA-N 1 1 335.364 0.639 20 5 ECBDMO CC1(C)C[N@H+](CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736213134 578415646 /nfs/dbraw/zinc/41/56/46/578415646.db2.gz IEMUNZXQJBEOJN-UHFFFAOYSA-N 1 1 348.367 0.693 20 5 ECBDMO CC1(C)C[N@@H+](CCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCO1 ZINC000736213134 578415647 /nfs/dbraw/zinc/41/56/47/578415647.db2.gz IEMUNZXQJBEOJN-UHFFFAOYSA-N 1 1 348.367 0.693 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736569659 578437755 /nfs/dbraw/zinc/43/77/55/578437755.db2.gz SGNCMZKVTHDHAX-NSHDSACASA-N 1 1 333.352 0.908 20 5 ECBDMO CC[N@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736569659 578437756 /nfs/dbraw/zinc/43/77/56/578437756.db2.gz SGNCMZKVTHDHAX-NSHDSACASA-N 1 1 333.352 0.908 20 5 ECBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736990558 578470684 /nfs/dbraw/zinc/47/06/84/578470684.db2.gz PYVZDOOAFWHLTH-UHFFFAOYSA-N 1 1 336.356 0.550 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000780864953 578701594 /nfs/dbraw/zinc/70/15/94/578701594.db2.gz INHCWXVPUCALAS-SECBINFHSA-N 1 1 335.407 0.655 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000780864953 578701596 /nfs/dbraw/zinc/70/15/96/578701596.db2.gz INHCWXVPUCALAS-SECBINFHSA-N 1 1 335.407 0.655 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]21 ZINC000793643023 578932785 /nfs/dbraw/zinc/93/27/85/578932785.db2.gz KLVUMQFBSCKWNA-IAZYJMLFSA-N 1 1 345.311 0.499 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]21 ZINC000793643023 578932786 /nfs/dbraw/zinc/93/27/86/578932786.db2.gz KLVUMQFBSCKWNA-IAZYJMLFSA-N 1 1 345.311 0.499 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742285472 579785114 /nfs/dbraw/zinc/78/51/14/579785114.db2.gz DSZGMKGSOBXPHE-MNOVXSKESA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742285472 579785116 /nfs/dbraw/zinc/78/51/16/579785116.db2.gz DSZGMKGSOBXPHE-MNOVXSKESA-N 1 1 342.377 0.131 20 5 ECBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896580170 586259856 /nfs/dbraw/zinc/25/98/56/586259856.db2.gz LFHMHYODUNSBBU-GXTWGEPZSA-N 1 1 336.392 0.724 20 5 ECBDMO O=[N+]([O-])c1ccccc1CN1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000843054858 589048401 /nfs/dbraw/zinc/04/84/01/589048401.db2.gz LABZNUWEMVQBSN-UHFFFAOYSA-N 1 1 340.405 0.014 20 5 ECBDMO C[C@@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000905644935 586907785 /nfs/dbraw/zinc/90/77/85/586907785.db2.gz UUMMKBLGIZWYBG-GJZGRUSLSA-N 1 1 336.436 0.896 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082070 587115679 /nfs/dbraw/zinc/11/56/79/587115679.db2.gz YUAUQDJJANUFLD-MEDUHNTESA-N 1 1 348.359 0.687 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082070 587115681 /nfs/dbraw/zinc/11/56/81/587115681.db2.gz YUAUQDJJANUFLD-MEDUHNTESA-N 1 1 348.359 0.687 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000844023709 589089236 /nfs/dbraw/zinc/08/92/36/589089236.db2.gz FXPMXOBONZNACP-PHIMTYICSA-N 1 1 338.364 0.877 20 5 ECBDMO COc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000813742053 587261439 /nfs/dbraw/zinc/26/14/39/587261439.db2.gz XXWXSSVCRRTWQX-GXFFZTMASA-N 1 1 341.389 0.928 20 5 ECBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+](C)C1 ZINC000840361216 587431179 /nfs/dbraw/zinc/43/11/79/587431179.db2.gz UXDLGAKOHFZPPD-SECBINFHSA-N 1 1 335.320 0.672 20 5 ECBDMO CCN(CC)C(=O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818975381 587462994 /nfs/dbraw/zinc/46/29/94/587462994.db2.gz MIKFSVKIHBTDRP-UHFFFAOYSA-N 1 1 343.405 0.827 20 5 ECBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000820461305 587534984 /nfs/dbraw/zinc/53/49/84/587534984.db2.gz GZPHAODNLXZOHE-TVQRCGJNSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000820461305 587534986 /nfs/dbraw/zinc/53/49/86/587534986.db2.gz GZPHAODNLXZOHE-TVQRCGJNSA-N 1 1 333.352 0.906 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821331654 587586127 /nfs/dbraw/zinc/58/61/27/587586127.db2.gz BXJNQVOQSLBNTN-LZWOXQAQSA-N 1 1 349.387 0.745 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827012925 588095269 /nfs/dbraw/zinc/09/52/69/588095269.db2.gz CYTLYAVDRHSRJH-CYBMUJFWSA-N 1 1 340.424 0.587 20 5 ECBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305519 589287653 /nfs/dbraw/zinc/28/76/53/589287653.db2.gz CJKRTPSHYOTCCA-VHSXEESVSA-N 1 1 349.372 0.491 20 5 ECBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853965060 589566157 /nfs/dbraw/zinc/56/61/57/589566157.db2.gz DAORNXJRIJIRTE-CQSZACIVSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868808391 589928151 /nfs/dbraw/zinc/92/81/51/589928151.db2.gz BDLLDFNNEOFXGQ-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868808391 589928153 /nfs/dbraw/zinc/92/81/53/589928153.db2.gz BDLLDFNNEOFXGQ-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863319960 590003284 /nfs/dbraw/zinc/00/32/84/590003284.db2.gz BXKNEZXEADXGMQ-SECBINFHSA-N 1 1 337.361 0.396 20 5 ECBDMO O=C(NCC[N@H+]1CC[C@H](O)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000863524301 590020583 /nfs/dbraw/zinc/02/05/83/590020583.db2.gz AYUHVXAJEZAWMF-NSHDSACASA-N 1 1 345.302 0.749 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000863524301 590020586 /nfs/dbraw/zinc/02/05/86/590020586.db2.gz AYUHVXAJEZAWMF-NSHDSACASA-N 1 1 345.302 0.749 20 5 ECBDMO O=C1CN(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000872785287 590147554 /nfs/dbraw/zinc/14/75/54/590147554.db2.gz ODICMDWJNVNBIU-TXEJJXNPSA-N 1 1 346.343 0.899 20 5 ECBDMO O=C1CN(C[N@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000872785287 590147556 /nfs/dbraw/zinc/14/75/56/590147556.db2.gz ODICMDWJNVNBIU-TXEJJXNPSA-N 1 1 346.343 0.899 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879939839 590353038 /nfs/dbraw/zinc/35/30/38/590353038.db2.gz IDAHXSLSISNBBS-VXGBXAGGSA-N 1 1 328.394 0.466 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879939839 590353041 /nfs/dbraw/zinc/35/30/41/590353041.db2.gz IDAHXSLSISNBBS-VXGBXAGGSA-N 1 1 328.394 0.466 20 5 ECBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+]2CCO[C@H]1C2 ZINC000295412266 611367055 /nfs/dbraw/zinc/36/70/55/611367055.db2.gz MUPISWDZYAFGJL-GJZGRUSLSA-N 1 1 334.376 0.938 20 5 ECBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+]2CCO[C@H]1C2 ZINC000295412266 611367059 /nfs/dbraw/zinc/36/70/59/611367059.db2.gz MUPISWDZYAFGJL-GJZGRUSLSA-N 1 1 334.376 0.938 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928094688 611673925 /nfs/dbraw/zinc/67/39/25/611673925.db2.gz BWTVOOTVNOIAAB-MWLCHTKSSA-N 1 1 325.394 0.638 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928094688 611673928 /nfs/dbraw/zinc/67/39/28/611673928.db2.gz BWTVOOTVNOIAAB-MWLCHTKSSA-N 1 1 325.394 0.638 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000078385857 609050038 /nfs/dbraw/zinc/05/00/38/609050038.db2.gz VOFAZOHJLLIDOA-UHFFFAOYSA-N 1 1 340.767 0.928 20 5 ECBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000928565660 611701779 /nfs/dbraw/zinc/70/17/79/611701779.db2.gz AIINSYKIUYCXIT-CYBMUJFWSA-N 1 1 334.376 0.865 20 5 ECBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000928565660 611701780 /nfs/dbraw/zinc/70/17/80/611701780.db2.gz AIINSYKIUYCXIT-CYBMUJFWSA-N 1 1 334.376 0.865 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000929364222 611748614 /nfs/dbraw/zinc/74/86/14/611748614.db2.gz NCMPHCNADPXFOM-CYBMUJFWSA-N 1 1 337.380 0.423 20 5 ECBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164668934 719481599 /nfs/dbraw/zinc/48/15/99/719481599.db2.gz RQMHWXZOBGPIIH-QWRGUYRKSA-N 1 1 336.352 0.171 20 5 ECBDMO CN(CCNC(=O)C[N@@H+](C)C1CCC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100386588 731487950 /nfs/dbraw/zinc/48/79/50/731487950.db2.gz IZJCKRZATDXDAW-UHFFFAOYSA-N 1 1 337.384 0.004 20 5 ECBDMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025763181 739928444 /nfs/dbraw/zinc/92/84/44/739928444.db2.gz LWIPDCZOXVRGQG-NHAGDIPZSA-N 1 1 342.359 0.584 20 5 ECBDMO C[NH+]1CCC(CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000974111408 740950045 /nfs/dbraw/zinc/95/00/45/740950045.db2.gz NLHPCPLUZDDXJC-XJFOESAGSA-N 1 1 338.408 0.147 20 5 ECBDMO COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000997771593 743801355 /nfs/dbraw/zinc/80/13/55/743801355.db2.gz IFLNCQFMKXCURE-ZIAGYGMSSA-N 1 1 349.391 0.479 20 5 ECBDMO CC(C)n1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983652460 744997459 /nfs/dbraw/zinc/99/74/59/744997459.db2.gz CVRUVHIARRBPMO-FDYHWXHSSA-N 1 1 336.396 0.509 20 5 ECBDMO Cc1nnsc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399264 746340674 /nfs/dbraw/zinc/34/06/74/746340674.db2.gz LEUNVAKWZCRUOY-VXGBXAGGSA-N 1 1 339.421 0.840 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000985022141 747274917 /nfs/dbraw/zinc/27/49/17/747274917.db2.gz VKAGTANUJSDJBC-AULYBMBSSA-N 1 1 344.375 0.940 20 5 ECBDMO O=C(NCC[NH2+]CCn1cc(-c2ccccc2)cn1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936463 756759901 /nfs/dbraw/zinc/75/99/01/756759901.db2.gz JJYYOEKSMVHYMQ-HZPDHXFCSA-N 1 1 343.387 0.921 20 5 ECBDMO Cn1c(=O)oc2ccc(C[NH2+]CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc21 ZINC001126938892 756814728 /nfs/dbraw/zinc/81/47/28/756814728.db2.gz LTDKRMDNTGHCQE-GHMZBOCLSA-N 1 1 334.332 0.003 20 5 ECBDMO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001126943093 756908903 /nfs/dbraw/zinc/90/89/03/756908903.db2.gz KVELPVHNXKDXQY-DGCLKSJQSA-N 1 1 338.339 0.444 20 5 ECBDMO COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC000996429669 757659448 /nfs/dbraw/zinc/65/94/48/757659448.db2.gz RWYCIVQFQJFCAK-ZIAGYGMSSA-N 1 1 334.376 0.836 20 5 ECBDMO C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001060730743 771320308 /nfs/dbraw/zinc/32/03/08/771320308.db2.gz XSZKOBYJPAXKPD-AAVRWANBSA-N 1 1 340.424 0.395 20 5 ECBDMO Cn1cc(CCC(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC001267233771 837040264 /nfs/dbraw/zinc/04/02/64/837040264.db2.gz TZQXSXBWSIONFW-UHFFFAOYSA-N 1 1 346.391 0.904 20 5 ECBDMO Cn1cc(CCC(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])nn1 ZINC001267233771 837040271 /nfs/dbraw/zinc/04/02/71/837040271.db2.gz TZQXSXBWSIONFW-UHFFFAOYSA-N 1 1 346.391 0.904 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304045 299235185 /nfs/dbraw/zinc/23/51/85/299235185.db2.gz AUPOASUFSRFAHR-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304045 299235187 /nfs/dbraw/zinc/23/51/87/299235187.db2.gz AUPOASUFSRFAHR-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304045 299235191 /nfs/dbraw/zinc/23/51/91/299235191.db2.gz AUPOASUFSRFAHR-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420168674 209329081 /nfs/dbraw/zinc/32/90/81/209329081.db2.gz LHGKFKAPQIWPJA-UHFFFAOYSA-N 1 1 342.302 0.190 20 5 ECBDMO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1CCO ZINC000249573297 206361997 /nfs/dbraw/zinc/36/19/97/206361997.db2.gz OVBFXQBGJHEKQD-CJNGLKHVSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1CCO ZINC000249573297 206362000 /nfs/dbraw/zinc/36/20/00/206362000.db2.gz OVBFXQBGJHEKQD-CJNGLKHVSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1CC(C)(C)O ZINC000444541989 211082640 /nfs/dbraw/zinc/08/26/40/211082640.db2.gz CERSMZFNIWZBMP-JTQLQIEISA-N 1 1 337.380 0.489 20 5 ECBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1CC(C)(C)O ZINC000444541989 211082644 /nfs/dbraw/zinc/08/26/44/211082644.db2.gz CERSMZFNIWZBMP-JTQLQIEISA-N 1 1 337.380 0.489 20 5 ECBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@@H+](C)C1 ZINC000413511527 208336908 /nfs/dbraw/zinc/33/69/08/208336908.db2.gz ZTPAAXJUNCYYSS-SECBINFHSA-N 1 1 326.328 0.857 20 5 ECBDMO O=C1CNC(=O)N1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000298779306 296848480 /nfs/dbraw/zinc/84/84/80/296848480.db2.gz LFYCGZDHQLUZCX-UHFFFAOYSA-N 1 1 347.375 0.659 20 5 ECBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619099 263192240 /nfs/dbraw/zinc/19/22/40/263192240.db2.gz MKQURWITCMCNMI-OLZOCXBDSA-N 1 1 336.392 0.993 20 5 ECBDMO COc1ccc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)cc1[N+](=O)[O-] ZINC000270533636 263249349 /nfs/dbraw/zinc/24/93/49/263249349.db2.gz PJYNVJRZLKQPKL-UHFFFAOYSA-N 1 1 334.332 0.777 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270975169 263289780 /nfs/dbraw/zinc/28/97/80/263289780.db2.gz IPJQPSSPXIDBEE-QWRGUYRKSA-N 1 1 339.396 0.946 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274386293 263463255 /nfs/dbraw/zinc/46/32/55/263463255.db2.gz GFHHDBFUFBLLSE-CZUORRHYSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274386293 263463256 /nfs/dbraw/zinc/46/32/56/263463256.db2.gz GFHHDBFUFBLLSE-CZUORRHYSA-N 1 1 338.360 0.826 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000282251846 264028818 /nfs/dbraw/zinc/02/88/18/264028818.db2.gz GQBPQHLCKQAIMX-OTYXRUKQSA-N 1 1 336.348 0.656 20 5 ECBDMO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000266531487 274024583 /nfs/dbraw/zinc/02/45/83/274024583.db2.gz MEGDXINRRLJMDQ-LLVKDONJSA-N 1 1 341.364 0.804 20 5 ECBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000266531487 274024585 /nfs/dbraw/zinc/02/45/85/274024585.db2.gz MEGDXINRRLJMDQ-LLVKDONJSA-N 1 1 341.364 0.804 20 5 ECBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000267247376 276165095 /nfs/dbraw/zinc/16/50/95/276165095.db2.gz TVDLNAIOEVWELM-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193479311 277075953 /nfs/dbraw/zinc/07/59/53/277075953.db2.gz WLCUNEQJRRMZJN-AWEZNQCLSA-N 1 1 333.392 0.920 20 5 ECBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000428776399 277268307 /nfs/dbraw/zinc/26/83/07/277268307.db2.gz FFRVELINSORKQK-HNNXBMFYSA-N 1 1 339.348 0.752 20 5 ECBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000354462609 437622324 /nfs/dbraw/zinc/62/23/24/437622324.db2.gz OCTPHXYHPILOMK-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000339042595 297316177 /nfs/dbraw/zinc/31/61/77/297316177.db2.gz UGCPGCSSRSKYSX-SECBINFHSA-N 1 1 331.398 0.572 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3ccc([N+](=O)[O-])nc3)cn2)CC1 ZINC000344414938 298016039 /nfs/dbraw/zinc/01/60/39/298016039.db2.gz HCLOSCODVWBDFB-UHFFFAOYSA-N 1 1 345.363 0.704 20 5 ECBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000345524331 298167139 /nfs/dbraw/zinc/16/71/39/298167139.db2.gz FZUJKCIYOAFHFA-SNVBAGLBSA-N 1 1 344.393 0.114 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363192842 300253661 /nfs/dbraw/zinc/25/36/61/300253661.db2.gz OVXBYAXEGNWDLK-QWHCGFSZSA-N 1 1 334.376 0.986 20 5 ECBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869552 300301408 /nfs/dbraw/zinc/30/14/08/300301408.db2.gz RISWRALBVJBVFF-LLVKDONJSA-N 1 1 348.407 0.470 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364880682 300396821 /nfs/dbraw/zinc/39/68/21/300396821.db2.gz GEHZQWIJBGZGRK-NSHDSACASA-N 1 1 336.348 0.687 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364880682 300396824 /nfs/dbraw/zinc/39/68/24/300396824.db2.gz GEHZQWIJBGZGRK-NSHDSACASA-N 1 1 336.348 0.687 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000364884733 300396976 /nfs/dbraw/zinc/39/69/76/300396976.db2.gz DTEUAEIQPXSZEH-CQSZACIVSA-N 1 1 347.419 0.910 20 5 ECBDMO CS(=O)(=O)NCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665111 436050729 /nfs/dbraw/zinc/05/07/29/436050729.db2.gz ZUYAJHBFCFYTIK-SNVBAGLBSA-N 1 1 329.382 0.025 20 5 ECBDMO CS(=O)(=O)NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665111 436050736 /nfs/dbraw/zinc/05/07/36/436050736.db2.gz ZUYAJHBFCFYTIK-SNVBAGLBSA-N 1 1 329.382 0.025 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCOCC1 ZINC000015206617 436078652 /nfs/dbraw/zinc/07/86/52/436078652.db2.gz JOBJJMNOGQUZCX-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000074106553 436109020 /nfs/dbraw/zinc/10/90/20/436109020.db2.gz SEDVOSLGTJVSIR-LBPRGKRZSA-N 1 1 339.396 0.717 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000375917941 301220495 /nfs/dbraw/zinc/22/04/95/301220495.db2.gz IAMVDWJWDASZGA-LBPRGKRZSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)c1 ZINC000375917941 301220497 /nfs/dbraw/zinc/22/04/97/301220497.db2.gz IAMVDWJWDASZGA-LBPRGKRZSA-N 1 1 343.409 0.291 20 5 ECBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376174081 301240436 /nfs/dbraw/zinc/24/04/36/301240436.db2.gz PAGLDXOZCMRFFX-NEPJUHHUSA-N 1 1 332.364 0.937 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000075766783 436176564 /nfs/dbraw/zinc/17/65/64/436176564.db2.gz HBBLLCSMWUJGHS-DTZQCDIJSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000075766783 436176571 /nfs/dbraw/zinc/17/65/71/436176571.db2.gz HBBLLCSMWUJGHS-DTZQCDIJSA-N 1 1 335.408 0.568 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000046448386 436395341 /nfs/dbraw/zinc/39/53/41/436395341.db2.gz VEYDIKLWGLNKMC-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000090550732 436433201 /nfs/dbraw/zinc/43/32/01/436433201.db2.gz FMGMGIRJMINDNK-AWEZNQCLSA-N 1 1 336.392 0.411 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)c([N+](=O)[O-])c1 ZINC000053283416 436528442 /nfs/dbraw/zinc/52/84/42/436528442.db2.gz XVTMFITUFYATIO-UHFFFAOYSA-N 1 1 347.375 0.683 20 5 ECBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000539803691 302173549 /nfs/dbraw/zinc/17/35/49/302173549.db2.gz XHOMNCJRCAVCMG-QWRGUYRKSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000539803691 302173552 /nfs/dbraw/zinc/17/35/52/302173552.db2.gz XHOMNCJRCAVCMG-QWRGUYRKSA-N 1 1 326.378 0.705 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000117284043 436656378 /nfs/dbraw/zinc/65/63/78/436656378.db2.gz SIMIXULFWGWKRS-GFCCVEGCSA-N 1 1 339.396 0.706 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000117284043 436656381 /nfs/dbraw/zinc/65/63/81/436656381.db2.gz SIMIXULFWGWKRS-GFCCVEGCSA-N 1 1 339.396 0.706 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000273349884 436747992 /nfs/dbraw/zinc/74/79/92/436747992.db2.gz PBYSQOJXEIFPGW-ZIAGYGMSSA-N 1 1 340.376 0.808 20 5 ECBDMO C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293357059 436870216 /nfs/dbraw/zinc/87/02/16/436870216.db2.gz OCQKLDMOOFSRTE-HOTGVXAUSA-N 1 1 334.376 0.688 20 5 ECBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000249601795 436824827 /nfs/dbraw/zinc/82/48/27/436824827.db2.gz YODXPWAKSLADKN-ZIAGYGMSSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000249601795 436824831 /nfs/dbraw/zinc/82/48/31/436824831.db2.gz YODXPWAKSLADKN-ZIAGYGMSSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000249601795 436824833 /nfs/dbraw/zinc/82/48/33/436824833.db2.gz YODXPWAKSLADKN-ZIAGYGMSSA-N 1 1 339.392 0.333 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000274421126 436824885 /nfs/dbraw/zinc/82/48/85/436824885.db2.gz QIYCPKAJDABNSB-UHFFFAOYSA-N 1 1 345.421 0.371 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000251851552 436828608 /nfs/dbraw/zinc/82/86/08/436828608.db2.gz QGQQOZTUCVQHCV-MNOVXSKESA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000251851552 436828613 /nfs/dbraw/zinc/82/86/13/436828613.db2.gz QGQQOZTUCVQHCV-MNOVXSKESA-N 1 1 347.375 0.998 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000274485255 436832345 /nfs/dbraw/zinc/83/23/45/436832345.db2.gz AVHCKOCOWZKFJT-UHFFFAOYSA-N 1 1 325.321 0.368 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000162634241 436909796 /nfs/dbraw/zinc/90/97/96/436909796.db2.gz NBWJEEXMINPMNZ-UHFFFAOYSA-N 1 1 325.293 0.476 20 5 ECBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000295295977 436964272 /nfs/dbraw/zinc/96/42/72/436964272.db2.gz AQZYUSFSQBIYKI-LLVKDONJSA-N 1 1 339.396 0.847 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275193134 436938093 /nfs/dbraw/zinc/93/80/93/436938093.db2.gz GCCAAVFTDNNCNM-UWVGGRQHSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275193134 436938096 /nfs/dbraw/zinc/93/80/96/436938096.db2.gz GCCAAVFTDNNCNM-UWVGGRQHSA-N 1 1 325.369 0.164 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000275590934 436988987 /nfs/dbraw/zinc/98/89/87/436988987.db2.gz DPMTVDUQWMNEAV-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000275590934 436988992 /nfs/dbraw/zinc/98/89/92/436988992.db2.gz DPMTVDUQWMNEAV-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO Cc1cccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264496129 437038151 /nfs/dbraw/zinc/03/81/51/437038151.db2.gz JVIOTSFMRXKGSG-CYBMUJFWSA-N 1 1 334.376 0.973 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000264568432 437046556 /nfs/dbraw/zinc/04/65/56/437046556.db2.gz RYXSGFZSOIVIQF-SNVBAGLBSA-N 1 1 333.348 0.922 20 5 ECBDMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264565770 437047478 /nfs/dbraw/zinc/04/74/78/437047478.db2.gz RJOFURMNVFCKGP-ZDUSSCGKSA-N 1 1 334.376 0.973 20 5 ECBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000264584228 437049363 /nfs/dbraw/zinc/04/93/63/437049363.db2.gz VALJNZUYQDXJKZ-CQSZACIVSA-N 1 1 334.376 0.973 20 5 ECBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000284674453 437060148 /nfs/dbraw/zinc/06/01/48/437060148.db2.gz YWICITWNJBDWOW-DOMZBBRYSA-N 1 1 334.376 0.620 20 5 ECBDMO Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505074 437159289 /nfs/dbraw/zinc/15/92/89/437159289.db2.gz GWCMHXAAROSWIU-DOMZBBRYSA-N 1 1 334.380 0.450 20 5 ECBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684637 437116958 /nfs/dbraw/zinc/11/69/58/437116958.db2.gz CNWRMEFJBYKCAM-DGCLKSJQSA-N 1 1 341.368 0.363 20 5 ECBDMO O=C([C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287617368 437212025 /nfs/dbraw/zinc/21/20/25/437212025.db2.gz ZPEDHKFJGJECBL-JSGCOSHPSA-N 1 1 337.380 0.097 20 5 ECBDMO CC[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000288367543 437314825 /nfs/dbraw/zinc/31/48/25/437314825.db2.gz JQKAOHINGIHNNB-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO COc1cc(S(=O)(=O)NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000268233092 437386546 /nfs/dbraw/zinc/38/65/46/437386546.db2.gz FXEALWIIDYRGJT-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185846152 437452726 /nfs/dbraw/zinc/45/27/26/437452726.db2.gz RMHPILVJTYLRGM-UHFFFAOYSA-N 1 1 331.394 0.841 20 5 ECBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000360312937 437581986 /nfs/dbraw/zinc/58/19/86/437581986.db2.gz ZZNLOIJLNVVBMF-TZMCWYRMSA-N 1 1 344.375 0.823 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000344933031 437774403 /nfs/dbraw/zinc/77/44/03/437774403.db2.gz DQXSWFWJHNHDQM-LLVKDONJSA-N 1 1 349.391 0.494 20 5 ECBDMO CNC(=O)C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000363154252 437770820 /nfs/dbraw/zinc/77/08/20/437770820.db2.gz LOAVTCAKJOEKQU-UHFFFAOYSA-N 1 1 336.392 0.857 20 5 ECBDMO CNC(=O)C[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000363154252 437770826 /nfs/dbraw/zinc/77/08/26/437770826.db2.gz LOAVTCAKJOEKQU-UHFFFAOYSA-N 1 1 336.392 0.857 20 5 ECBDMO NC(=O)C1([NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CCCC1 ZINC000363590237 437799816 /nfs/dbraw/zinc/79/98/16/437799816.db2.gz SNKTXLIZVGDQPZ-UHFFFAOYSA-N 1 1 336.396 0.207 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000364965249 437835694 /nfs/dbraw/zinc/83/56/94/437835694.db2.gz TZCSYDNUIAMTAQ-CQSZACIVSA-N 1 1 336.396 0.228 20 5 ECBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000364965249 437835700 /nfs/dbraw/zinc/83/57/00/437835700.db2.gz TZCSYDNUIAMTAQ-CQSZACIVSA-N 1 1 336.396 0.228 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000347233908 437856173 /nfs/dbraw/zinc/85/61/73/437856173.db2.gz OSTBYQHHOWHRSI-LBPRGKRZSA-N 1 1 339.396 0.442 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000416303311 437913722 /nfs/dbraw/zinc/91/37/22/437913722.db2.gz XQXAEOLLPCAKLC-NWDGAFQWSA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)CCO1 ZINC000357180958 437929102 /nfs/dbraw/zinc/92/91/02/437929102.db2.gz CLGZJUJVIVFJBJ-LLVKDONJSA-N 1 1 349.391 0.778 20 5 ECBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000416296407 437905193 /nfs/dbraw/zinc/90/51/93/437905193.db2.gz NUQTUKHIOWZAHB-MNOVXSKESA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1CCO ZINC000416296407 437905196 /nfs/dbraw/zinc/90/51/96/437905196.db2.gz NUQTUKHIOWZAHB-MNOVXSKESA-N 1 1 347.375 0.998 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371261190 437906451 /nfs/dbraw/zinc/90/64/51/437906451.db2.gz VVDWROIPRHKOTD-QWRGUYRKSA-N 1 1 337.380 0.863 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371261190 437906454 /nfs/dbraw/zinc/90/64/54/437906454.db2.gz VVDWROIPRHKOTD-QWRGUYRKSA-N 1 1 337.380 0.863 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416289934 437906798 /nfs/dbraw/zinc/90/67/98/437906798.db2.gz GCTMMSFWCSEOMB-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416289934 437906804 /nfs/dbraw/zinc/90/68/04/437906804.db2.gz GCTMMSFWCSEOMB-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416492935 437944513 /nfs/dbraw/zinc/94/45/13/437944513.db2.gz BZOHZAZCRBXVQU-JTQLQIEISA-N 1 1 329.378 0.833 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416498100 437946495 /nfs/dbraw/zinc/94/64/95/437946495.db2.gz WIKYZKOFXQTJQL-SNVBAGLBSA-N 1 1 329.378 0.833 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372162935 438041949 /nfs/dbraw/zinc/04/19/49/438041949.db2.gz NJPVBHRSSZVIIL-CHWSQXEVSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372162935 438041956 /nfs/dbraw/zinc/04/19/56/438041956.db2.gz NJPVBHRSSZVIIL-CHWSQXEVSA-N 1 1 329.378 0.252 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336697 438056399 /nfs/dbraw/zinc/05/63/99/438056399.db2.gz YRYTZIAOYSJRND-STQMWFEESA-N 1 1 346.343 0.518 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401606 438067105 /nfs/dbraw/zinc/06/71/05/438067105.db2.gz AEIMVXCMHPDUKT-OLZOCXBDSA-N 1 1 346.343 0.152 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401606 438067110 /nfs/dbraw/zinc/06/71/10/438067110.db2.gz AEIMVXCMHPDUKT-OLZOCXBDSA-N 1 1 346.343 0.152 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000358056721 438133675 /nfs/dbraw/zinc/13/36/75/438133675.db2.gz AYTBCCKLKJPSDL-INIZCTEOSA-N 1 1 345.359 0.577 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C1 ZINC000358053820 438133279 /nfs/dbraw/zinc/13/32/79/438133279.db2.gz JBNOMDIMTFNFBZ-KRWDZBQOSA-N 1 1 348.403 0.991 20 5 ECBDMO COc1c[nH+]ccc1N1CCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1 ZINC000358304976 438196946 /nfs/dbraw/zinc/19/69/46/438196946.db2.gz HDNQLRBTWMOPLX-UHFFFAOYSA-N 1 1 346.347 0.992 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368059132 438281083 /nfs/dbraw/zinc/28/10/83/438281083.db2.gz XUBDWBJQBHDFQT-AAEUAGOBSA-N 1 1 332.360 0.910 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368059132 438281088 /nfs/dbraw/zinc/28/10/88/438281088.db2.gz XUBDWBJQBHDFQT-AAEUAGOBSA-N 1 1 332.360 0.910 20 5 ECBDMO CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419006363 438282220 /nfs/dbraw/zinc/28/22/20/438282220.db2.gz QEPLGNFXZLCRFJ-NEPJUHHUSA-N 1 1 336.392 0.846 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680554 438324794 /nfs/dbraw/zinc/32/47/94/438324794.db2.gz QDLUQGCGKHJMJW-RYUDHWBXSA-N 1 1 332.360 0.991 20 5 ECBDMO Nc1nccc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455287 438331925 /nfs/dbraw/zinc/33/19/25/438331925.db2.gz OCHMDPOAUSZNAI-AAEUAGOBSA-N 1 1 347.379 0.404 20 5 ECBDMO C[N@H+]1CCCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358796243 438302920 /nfs/dbraw/zinc/30/29/20/438302920.db2.gz IHLMRLRSRQELSG-UHFFFAOYSA-N 1 1 349.391 0.558 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]12 ZINC000368635324 438356067 /nfs/dbraw/zinc/35/60/67/438356067.db2.gz FQHWOQIHNXEHES-CHWSQXEVSA-N 1 1 347.327 0.556 20 5 ECBDMO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378424566 438384308 /nfs/dbraw/zinc/38/43/08/438384308.db2.gz FBXFRZCKYFHGOD-OAHLLOKOSA-N 1 1 336.440 0.892 20 5 ECBDMO CN(CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378424566 438384312 /nfs/dbraw/zinc/38/43/12/438384312.db2.gz FBXFRZCKYFHGOD-OAHLLOKOSA-N 1 1 336.440 0.892 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000388284063 438424481 /nfs/dbraw/zinc/42/44/81/438424481.db2.gz SDEXONXJCDZJKG-MRVPVSSYSA-N 1 1 337.174 0.493 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369130429 438426789 /nfs/dbraw/zinc/42/67/89/438426789.db2.gz NSHXFLGTLMIRPW-OCCSQVGLSA-N 1 1 340.380 0.422 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)[C@H]2CCCSC2)c1 ZINC000439002359 438494481 /nfs/dbraw/zinc/49/44/81/438494481.db2.gz PLYYYYAIVNNZJT-AAEUAGOBSA-N 1 1 330.410 0.342 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000352637564 438451819 /nfs/dbraw/zinc/45/18/19/438451819.db2.gz PPMJYJFIMCOTML-UHFFFAOYSA-N 1 1 348.367 0.042 20 5 ECBDMO C[C@](O)(CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000437699627 438452205 /nfs/dbraw/zinc/45/22/05/438452205.db2.gz REURVSBXLFSZSE-HNNXBMFYSA-N 1 1 338.364 0.800 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000420972722 438453814 /nfs/dbraw/zinc/45/38/14/438453814.db2.gz LCIXVWVFZFFSOL-LBPRGKRZSA-N 1 1 343.405 0.841 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359843007 438507786 /nfs/dbraw/zinc/50/77/86/438507786.db2.gz QUHGKEVWKAZEDB-UKRRQHHQSA-N 1 1 326.349 0.418 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@H]2CCC[NH2+]CC2)cc1 ZINC000415089969 438727907 /nfs/dbraw/zinc/72/79/07/438727907.db2.gz ZKXDDZLVUBUBRU-LBPRGKRZSA-N 1 1 342.421 0.605 20 5 ECBDMO CNc1nc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000456028461 438756617 /nfs/dbraw/zinc/75/66/17/438756617.db2.gz ILJAQCWAEFIHRZ-LLVKDONJSA-N 1 1 337.380 0.608 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000457104602 438794473 /nfs/dbraw/zinc/79/44/73/438794473.db2.gz CVZCWEOUZCXITO-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000457104602 438794474 /nfs/dbraw/zinc/79/44/74/438794474.db2.gz CVZCWEOUZCXITO-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595524522 438816807 /nfs/dbraw/zinc/81/68/07/438816807.db2.gz WNOLWKPYCNFJQV-CQSZACIVSA-N 1 1 337.424 0.813 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601113142 438817547 /nfs/dbraw/zinc/81/75/47/438817547.db2.gz DDSXENQZFHWYLL-MRVPVSSYSA-N 1 1 337.302 0.850 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595598777 438831319 /nfs/dbraw/zinc/83/13/19/438831319.db2.gz WPQZEFMDKXGSQV-GOEBONIOSA-N 1 1 334.376 0.688 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595598776 438832546 /nfs/dbraw/zinc/83/25/46/438832546.db2.gz WPQZEFMDKXGSQV-GDBMZVCRSA-N 1 1 334.376 0.688 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860511 438842936 /nfs/dbraw/zinc/84/29/36/438842936.db2.gz GQLATMNAEPZCRC-KGLIPLIRSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860108 438843964 /nfs/dbraw/zinc/84/39/64/438843964.db2.gz DMOOYPYFYOUJDT-RYUDHWBXSA-N 1 1 345.359 0.752 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860108 438843970 /nfs/dbraw/zinc/84/39/70/438843970.db2.gz DMOOYPYFYOUJDT-RYUDHWBXSA-N 1 1 345.359 0.752 20 5 ECBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561316780 438844763 /nfs/dbraw/zinc/84/47/63/438844763.db2.gz XWGJRNCGLSUTMJ-NSHDSACASA-N 1 1 336.396 0.328 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@H]2C1 ZINC000590044071 438897892 /nfs/dbraw/zinc/89/78/92/438897892.db2.gz GNLZRIIGGCAQIT-ABAIWWIYSA-N 1 1 342.359 0.952 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000515234722 438857417 /nfs/dbraw/zinc/85/74/17/438857417.db2.gz NBPTVHJDWASMRM-CYBMUJFWSA-N 1 1 330.348 0.668 20 5 ECBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595849787 438869774 /nfs/dbraw/zinc/86/97/74/438869774.db2.gz INILGGCQTNDEBF-CYBMUJFWSA-N 1 1 336.392 0.993 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590399861 438918915 /nfs/dbraw/zinc/91/89/15/438918915.db2.gz LTTURRRKFDDOSD-UHFFFAOYSA-N 1 1 332.404 0.843 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392466 438919251 /nfs/dbraw/zinc/91/92/51/438919251.db2.gz PVNSQADGHACTLB-UHFFFAOYSA-N 1 1 335.360 0.764 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590444201 438924781 /nfs/dbraw/zinc/92/47/81/438924781.db2.gz MCTOYAOKWDYNCG-HIFRSBDPSA-N 1 1 346.387 0.796 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000596091548 438925599 /nfs/dbraw/zinc/92/55/99/438925599.db2.gz NHBCTADJQRNBPA-JTQLQIEISA-N 1 1 326.378 0.891 20 5 ECBDMO CC[N@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H]1C ZINC000596173498 438937425 /nfs/dbraw/zinc/93/74/25/438937425.db2.gz VSXGLUGQCCGZCH-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO Nc1ccc(NCC2([NH+]3CCOCC3)CCOCC2)nc1[N+](=O)[O-] ZINC000596265548 438949227 /nfs/dbraw/zinc/94/92/27/438949227.db2.gz RSGJGHOLSOCMAC-UHFFFAOYSA-N 1 1 337.380 0.865 20 5 ECBDMO Nc1nc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ncc1[N+](=O)[O-] ZINC000596514728 438971512 /nfs/dbraw/zinc/97/15/12/438971512.db2.gz BUZNKDRUDKKDLZ-VXGBXAGGSA-N 1 1 334.380 1.022 20 5 ECBDMO NC(=O)c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537904 438974103 /nfs/dbraw/zinc/97/41/03/438974103.db2.gz JMPDOXLGRGPCTP-ZDUSSCGKSA-N 1 1 334.376 0.729 20 5 ECBDMO CC1(C)Cc2n[nH]cc2C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000596598424 438978845 /nfs/dbraw/zinc/97/88/45/438978845.db2.gz FRJGJMQFKCVLAO-CYBMUJFWSA-N 1 1 334.380 0.960 20 5 ECBDMO COC(=O)COc1ccc(C[NH+]2CC(CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000459635264 438979933 /nfs/dbraw/zinc/97/99/33/438979933.db2.gz SVEWCNSBQVTHNC-UHFFFAOYSA-N 1 1 337.332 0.454 20 5 ECBDMO COc1cc(C[N@@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000459732231 438995063 /nfs/dbraw/zinc/99/50/63/438995063.db2.gz UBHYFAXPJFSZPY-OAHLLOKOSA-N 1 1 326.349 0.931 20 5 ECBDMO COc1cc(C[N@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000459732231 438995070 /nfs/dbraw/zinc/99/50/70/438995070.db2.gz UBHYFAXPJFSZPY-OAHLLOKOSA-N 1 1 326.349 0.931 20 5 ECBDMO COCC[N@H+]1CCCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598588734 439281725 /nfs/dbraw/zinc/28/17/25/439281725.db2.gz BTYVBANTRBWYTF-UHFFFAOYSA-N 1 1 338.364 0.935 20 5 ECBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526128683 439241160 /nfs/dbraw/zinc/24/11/60/439241160.db2.gz ZNWXQKILSKUKSW-UHFFFAOYSA-N 1 1 337.332 0.776 20 5 ECBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000526128683 439241164 /nfs/dbraw/zinc/24/11/64/439241164.db2.gz ZNWXQKILSKUKSW-UHFFFAOYSA-N 1 1 337.332 0.776 20 5 ECBDMO CNS(=O)(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598597154 439284259 /nfs/dbraw/zinc/28/42/59/439284259.db2.gz WYIDSYFWIVWZJG-JTQLQIEISA-N 1 1 329.382 0.025 20 5 ECBDMO CNS(=O)(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598597154 439284264 /nfs/dbraw/zinc/28/42/64/439284264.db2.gz WYIDSYFWIVWZJG-JTQLQIEISA-N 1 1 329.382 0.025 20 5 ECBDMO C[N@H+]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598894835 439323402 /nfs/dbraw/zinc/32/34/02/439323402.db2.gz TUNKGTGIKHPDDI-UHFFFAOYSA-N 1 1 335.364 0.880 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593094134 439339143 /nfs/dbraw/zinc/33/91/43/439339143.db2.gz IPJIUPJDYVIDMD-JCMIBGAMSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593094134 439339149 /nfs/dbraw/zinc/33/91/49/439339149.db2.gz IPJIUPJDYVIDMD-JCMIBGAMSA-N 1 1 326.374 0.540 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551001 439400472 /nfs/dbraw/zinc/40/04/72/439400472.db2.gz PPEHDDXPUVNZTM-ZYHUDNBSSA-N 1 1 328.394 0.951 20 5 ECBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288320 439419822 /nfs/dbraw/zinc/41/98/22/439419822.db2.gz RFMUFDIJXHNQGP-MNOVXSKESA-N 1 1 345.425 0.727 20 5 ECBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855948 439479708 /nfs/dbraw/zinc/47/97/08/439479708.db2.gz RSWMNIFHSLSQTF-GFCCVEGCSA-N 1 1 330.344 0.967 20 5 ECBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855948 439479715 /nfs/dbraw/zinc/47/97/15/439479715.db2.gz RSWMNIFHSLSQTF-GFCCVEGCSA-N 1 1 330.344 0.967 20 5 ECBDMO Cc1c(NC(=O)CCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594027857 439509794 /nfs/dbraw/zinc/50/97/94/439509794.db2.gz SUKDWVIFEUHTNJ-UONOGXRCSA-N 1 1 348.403 0.983 20 5 ECBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H]1C[C@@H](O)C1 ZINC000599674129 439534599 /nfs/dbraw/zinc/53/45/99/439534599.db2.gz YYYLIYGPMGYNFL-AOOOYVTPSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400264 439554526 /nfs/dbraw/zinc/55/45/26/439554526.db2.gz AAKNFIREZPYSTI-MXWKQRLJSA-N 1 1 338.364 0.923 20 5 ECBDMO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400264 439554530 /nfs/dbraw/zinc/55/45/30/439554530.db2.gz AAKNFIREZPYSTI-MXWKQRLJSA-N 1 1 338.364 0.923 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107157 439516098 /nfs/dbraw/zinc/51/60/98/439516098.db2.gz HUOXRQVKHZGDGI-SDDRHHMPSA-N 1 1 339.396 0.714 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107157 439516103 /nfs/dbraw/zinc/51/61/03/439516103.db2.gz HUOXRQVKHZGDGI-SDDRHHMPSA-N 1 1 339.396 0.714 20 5 ECBDMO C[C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000609481279 439572226 /nfs/dbraw/zinc/57/22/26/439572226.db2.gz SYFANKFBLGUWRM-ZDUSSCGKSA-N 1 1 336.392 0.726 20 5 ECBDMO C[C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000609481275 439572254 /nfs/dbraw/zinc/57/22/54/439572254.db2.gz SYFANKFBLGUWRM-CYBMUJFWSA-N 1 1 336.392 0.726 20 5 ECBDMO O=C(NC1CC1)c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594603011 439581313 /nfs/dbraw/zinc/58/13/13/439581313.db2.gz HCWZEMQLKOGWNO-UONOGXRCSA-N 1 1 346.387 0.742 20 5 ECBDMO CN1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682262 439600832 /nfs/dbraw/zinc/60/08/32/439600832.db2.gz KGEJNYFHOSCEPG-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO CN(C(=O)CN1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000370750447 321765848 /nfs/dbraw/zinc/76/58/48/321765848.db2.gz QYIHYOUCGJXFRH-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO NS(=O)(=O)c1c(NCC[NH+]2CCSCC2)cccc1[N+](=O)[O-] ZINC000522122389 321981050 /nfs/dbraw/zinc/98/10/50/321981050.db2.gz INCCIADNXOJNFP-UHFFFAOYSA-N 1 1 346.434 0.703 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266180972 536509368 /nfs/dbraw/zinc/50/93/68/536509368.db2.gz LIJYZYREUKKBNK-UHFFFAOYSA-N 1 1 345.421 0.983 20 5 ECBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187333284 528493320 /nfs/dbraw/zinc/49/33/20/528493320.db2.gz NAOWBGZNFVCCSX-GXTWGEPZSA-N 1 1 325.369 0.143 20 5 ECBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187333284 528493326 /nfs/dbraw/zinc/49/33/26/528493326.db2.gz NAOWBGZNFVCCSX-GXTWGEPZSA-N 1 1 325.369 0.143 20 5 ECBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000264124287 536319599 /nfs/dbraw/zinc/31/95/99/536319599.db2.gz LGZXPOFWZLYIJG-JTQLQIEISA-N 1 1 328.394 0.867 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106539 579413079 /nfs/dbraw/zinc/41/30/79/579413079.db2.gz ZMFSWJHXQLAIJR-STQMWFEESA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106539 579413080 /nfs/dbraw/zinc/41/30/80/579413080.db2.gz ZMFSWJHXQLAIJR-STQMWFEESA-N 1 1 329.378 0.381 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736149633 578411513 /nfs/dbraw/zinc/41/15/13/578411513.db2.gz VKYIIPLUWVLKKE-NXEZZACHSA-N 1 1 348.367 0.061 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593214 579285358 /nfs/dbraw/zinc/28/53/58/579285358.db2.gz ROJKAAJIRCDZJY-OLZOCXBDSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593214 579285360 /nfs/dbraw/zinc/28/53/60/579285360.db2.gz ROJKAAJIRCDZJY-OLZOCXBDSA-N 1 1 329.378 0.381 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859003 579321872 /nfs/dbraw/zinc/32/18/72/579321872.db2.gz OMBWLXOSILUJOZ-AAEUAGOBSA-N 1 1 339.396 0.920 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859003 579321873 /nfs/dbraw/zinc/32/18/73/579321873.db2.gz OMBWLXOSILUJOZ-AAEUAGOBSA-N 1 1 339.396 0.920 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742285473 579785141 /nfs/dbraw/zinc/78/51/41/579785141.db2.gz DSZGMKGSOBXPHE-QWRGUYRKSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742285473 579785142 /nfs/dbraw/zinc/78/51/42/579785142.db2.gz DSZGMKGSOBXPHE-QWRGUYRKSA-N 1 1 342.377 0.131 20 5 ECBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747959272 579855728 /nfs/dbraw/zinc/85/57/28/579855728.db2.gz NDHAXFSZQIHEFB-VIFPVBQESA-N 1 1 335.286 0.886 20 5 ECBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000747959272 579855729 /nfs/dbraw/zinc/85/57/29/579855729.db2.gz NDHAXFSZQIHEFB-VIFPVBQESA-N 1 1 335.286 0.886 20 5 ECBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900811454 586666584 /nfs/dbraw/zinc/66/65/84/586666584.db2.gz LPPCZTAOHADVHR-NILFDRSVSA-N 1 1 336.392 0.379 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1C[N@H+](C)CCO1 ZINC000801928721 587005736 /nfs/dbraw/zinc/00/57/36/587005736.db2.gz XWZTYTZGVRVUAS-OQPBUACISA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000801928721 587005739 /nfs/dbraw/zinc/00/57/39/587005739.db2.gz XWZTYTZGVRVUAS-OQPBUACISA-N 1 1 326.328 0.765 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000808227190 587150524 /nfs/dbraw/zinc/15/05/24/587150524.db2.gz MDDYYPWHABRKGK-GFCCVEGCSA-N 1 1 347.375 0.992 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000808227190 587150526 /nfs/dbraw/zinc/15/05/26/587150526.db2.gz MDDYYPWHABRKGK-GFCCVEGCSA-N 1 1 347.375 0.992 20 5 ECBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000820461306 587534993 /nfs/dbraw/zinc/53/49/93/587534993.db2.gz GZPHAODNLXZOHE-ZANVPECISA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000820461306 587534995 /nfs/dbraw/zinc/53/49/95/587534995.db2.gz GZPHAODNLXZOHE-ZANVPECISA-N 1 1 333.352 0.906 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821328888 587586229 /nfs/dbraw/zinc/58/62/29/587586229.db2.gz SKXWHWUQGLKZRK-ZNMIVQPWSA-N 1 1 349.387 0.745 20 5 ECBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000821628538 587609046 /nfs/dbraw/zinc/60/90/46/587609046.db2.gz KQCDGCBJSGRLJV-QWHCGFSZSA-N 1 1 331.336 0.294 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516949 587947701 /nfs/dbraw/zinc/94/77/01/587947701.db2.gz HHDQWRMXVCIDJH-KFWWJZLASA-N 1 1 335.360 0.608 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)n2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829848345 588344805 /nfs/dbraw/zinc/34/48/05/588344805.db2.gz ZWHXJLMGTUMJSG-SECBINFHSA-N 1 1 326.313 0.425 20 5 ECBDMO NC(=O)[C@@](O)(C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000851908344 589432371 /nfs/dbraw/zinc/43/23/71/589432371.db2.gz MIPAJOHUMIPBPX-QGZVFWFLSA-N 1 1 342.355 0.721 20 5 ECBDMO NC(=O)[C@@](O)(C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000851908344 589432372 /nfs/dbraw/zinc/43/23/72/589432372.db2.gz MIPAJOHUMIPBPX-QGZVFWFLSA-N 1 1 342.355 0.721 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856257307 589658143 /nfs/dbraw/zinc/65/81/43/589658143.db2.gz UXOBABVDSRCYCY-JKSUJKDBSA-N 1 1 349.387 0.686 20 5 ECBDMO CN(C(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000880072510 590365787 /nfs/dbraw/zinc/36/57/87/590365787.db2.gz WKQRBXOEGAAARB-JKSUJKDBSA-N 1 1 348.403 0.699 20 5 ECBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000886593562 590863025 /nfs/dbraw/zinc/86/30/25/590863025.db2.gz UMYUCMSIRLTKKM-AWEZNQCLSA-N 1 1 336.392 0.945 20 5 ECBDMO O=C([C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000886827815 590886890 /nfs/dbraw/zinc/88/68/90/590886890.db2.gz SAQNZVINLCQFOB-CQSZACIVSA-N 1 1 333.392 0.634 20 5 ECBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CCO)CC1 ZINC000916972749 609956400 /nfs/dbraw/zinc/95/64/00/609956400.db2.gz RDZOZFHIAOGMNJ-UHFFFAOYSA-N 1 1 334.376 0.601 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933972567 611762709 /nfs/dbraw/zinc/76/27/09/611762709.db2.gz ABMABCZSMYEBAQ-VNQPRFMTSA-N 1 1 338.360 0.824 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933972567 611762711 /nfs/dbraw/zinc/76/27/11/611762711.db2.gz ABMABCZSMYEBAQ-VNQPRFMTSA-N 1 1 338.360 0.824 20 5 ECBDMO Cc1nsc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775866 739944241 /nfs/dbraw/zinc/94/42/41/739944241.db2.gz OYIBGVGLOUVISI-LPUQOGTASA-N 1 1 336.417 0.972 20 5 ECBDMO Cc1nsc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775866 739944247 /nfs/dbraw/zinc/94/42/47/739944247.db2.gz OYIBGVGLOUVISI-LPUQOGTASA-N 1 1 336.417 0.972 20 5 ECBDMO Cc1nsc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775866 739944253 /nfs/dbraw/zinc/94/42/53/739944253.db2.gz OYIBGVGLOUVISI-LPUQOGTASA-N 1 1 336.417 0.972 20 5 ECBDMO CC1CC[NH+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000974114325 740955487 /nfs/dbraw/zinc/95/54/87/740955487.db2.gz FESYNKQSWZPFDT-XJFOESAGSA-N 1 1 338.408 0.147 20 5 ECBDMO Cc1nnsc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426246 747981493 /nfs/dbraw/zinc/98/14/93/747981493.db2.gz OARQJACIKLXFTE-VXGBXAGGSA-N 1 1 339.421 0.935 20 5 ECBDMO COc1ccc(OCCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126944006 756925668 /nfs/dbraw/zinc/92/56/68/756925668.db2.gz ZWOMWRFFCYGRFJ-HUUCEWRRSA-N 1 1 337.376 0.835 20 5 ECBDMO Cc1ncccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814371 757081260 /nfs/dbraw/zinc/08/12/60/757081260.db2.gz HZRBLRHZQADSEC-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1ncccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814371 757081267 /nfs/dbraw/zinc/08/12/67/757081267.db2.gz HZRBLRHZQADSEC-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1ncccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814371 757081272 /nfs/dbraw/zinc/08/12/72/757081272.db2.gz HZRBLRHZQADSEC-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO CCC[N@@H+](C)CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107280219 758145732 /nfs/dbraw/zinc/14/57/32/758145732.db2.gz JNMIUCIZDDNOIM-PLNGDYQASA-N 1 1 337.384 0.393 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCOCC1CC1 ZINC001127078783 760850895 /nfs/dbraw/zinc/85/08/95/760850895.db2.gz RVORXXQNBOPJMG-UHFFFAOYSA-N 1 1 325.369 0.351 20 5 ECBDMO O=C(CCCF)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575190 769161223 /nfs/dbraw/zinc/16/12/23/769161223.db2.gz BHNSYYYNBSADMA-CHWSQXEVSA-N 1 1 344.387 0.098 20 5 ECBDMO Cc1ccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001267371862 837273481 /nfs/dbraw/zinc/27/34/81/837273481.db2.gz YBNQHUMVZFNJQT-ZIAGYGMSSA-N 1 1 334.376 0.647 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428555727 210266566 /nfs/dbraw/zinc/26/65/66/210266566.db2.gz ZAZVHUGYQQTFSS-OAHLLOKOSA-N 1 1 345.359 0.997 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000427139154 210182041 /nfs/dbraw/zinc/18/20/41/210182041.db2.gz CLWUMUDOIQRXKL-QMMMGPOBSA-N 1 1 346.290 0.503 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000105613598 201061163 /nfs/dbraw/zinc/06/11/63/201061163.db2.gz FHWJJVKPPBRACE-DZGCQCFKSA-N 1 1 337.376 0.935 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000264773224 201212039 /nfs/dbraw/zinc/21/20/39/201212039.db2.gz QEHOSIVCGSXDED-JTQLQIEISA-N 1 1 325.344 0.292 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000193528368 240200704 /nfs/dbraw/zinc/20/07/04/240200704.db2.gz HBYXWHBYRXMUKN-UHFFFAOYSA-N 1 1 335.364 0.192 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363759418 204088070 /nfs/dbraw/zinc/08/80/70/204088070.db2.gz VEOGUHKYVRHELM-CHWSQXEVSA-N 1 1 335.360 0.953 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000266170000 248146117 /nfs/dbraw/zinc/14/61/17/248146117.db2.gz SSRUYVBESGQMHY-UHFFFAOYSA-N 1 1 327.385 0.969 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000448557131 211251599 /nfs/dbraw/zinc/25/15/99/211251599.db2.gz SGEICJYYWCBKOI-DFBGVHRSSA-N 1 1 344.371 0.863 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000443341606 211009651 /nfs/dbraw/zinc/00/96/51/211009651.db2.gz CUOIHOVIUSFXAZ-NWDGAFQWSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000443341606 211009647 /nfs/dbraw/zinc/00/96/47/211009647.db2.gz CUOIHOVIUSFXAZ-NWDGAFQWSA-N 1 1 325.365 0.905 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174708735 207048030 /nfs/dbraw/zinc/04/80/30/207048030.db2.gz WZXJDDNOBVGHPP-CQSZACIVSA-N 1 1 348.403 0.558 20 5 ECBDMO CC(=O)N1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268687900 252139428 /nfs/dbraw/zinc/13/94/28/252139428.db2.gz OCUAAUJQMJOBBZ-DOMZBBRYSA-N 1 1 337.376 0.887 20 5 ECBDMO CC(=O)N1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268687900 252139432 /nfs/dbraw/zinc/13/94/32/252139432.db2.gz OCUAAUJQMJOBBZ-DOMZBBRYSA-N 1 1 337.376 0.887 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000414048427 208390235 /nfs/dbraw/zinc/39/02/35/208390235.db2.gz FWSWYORJFLCVJA-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO O=C(CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CC[NH2+]CC1 ZINC000262221071 165310145 /nfs/dbraw/zinc/31/01/45/165310145.db2.gz UNGJZRWGKKYZFG-UHFFFAOYSA-N 1 1 347.419 0.539 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291452715 437593360 /nfs/dbraw/zinc/59/33/60/437593360.db2.gz NIIGVBHRSQZSDP-DGCLKSJQSA-N 1 1 337.380 0.421 20 5 ECBDMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000189354701 437593467 /nfs/dbraw/zinc/59/34/67/437593467.db2.gz VCXZNUQSRBXGTJ-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO O=[N+]([O-])c1ccc(OCC[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000086169058 263143133 /nfs/dbraw/zinc/14/31/33/263143133.db2.gz KOMADWLJFUDDTB-UHFFFAOYSA-N 1 1 339.392 0.600 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270447346 263242986 /nfs/dbraw/zinc/24/29/86/263242986.db2.gz SWFWXLOEEIEDBH-CQSZACIVSA-N 1 1 345.403 0.981 20 5 ECBDMO COc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000272792295 263373459 /nfs/dbraw/zinc/37/34/59/263373459.db2.gz GNKBDLMFXFSYDY-GFCCVEGCSA-N 1 1 337.380 0.971 20 5 ECBDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000285501399 264318656 /nfs/dbraw/zinc/31/86/56/264318656.db2.gz FGHIIESRIQQECV-GFCCVEGCSA-N 1 1 331.398 0.147 20 5 ECBDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000285501399 264318658 /nfs/dbraw/zinc/31/86/58/264318658.db2.gz FGHIIESRIQQECV-GFCCVEGCSA-N 1 1 331.398 0.147 20 5 ECBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093463 264369572 /nfs/dbraw/zinc/36/95/72/264369572.db2.gz SXMPAEZYRGTOAN-DZGCQCFKSA-N 1 1 336.392 0.552 20 5 ECBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000295189864 265050569 /nfs/dbraw/zinc/05/05/69/265050569.db2.gz IRUNJPJEPOKJAJ-OAHLLOKOSA-N 1 1 348.338 0.949 20 5 ECBDMO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)N1CCOCC1 ZINC000330706909 437594529 /nfs/dbraw/zinc/59/45/29/437594529.db2.gz OYQOWQXWRVXCOP-GFCCVEGCSA-N 1 1 325.369 0.301 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000265623071 276300562 /nfs/dbraw/zinc/30/05/62/276300562.db2.gz YHSHZMSSKFBQLU-UHFFFAOYSA-N 1 1 338.364 0.671 20 5 ECBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000189097436 280372386 /nfs/dbraw/zinc/37/23/86/280372386.db2.gz AAOZGIAWZUDYCC-UHFFFAOYSA-N 1 1 343.405 0.737 20 5 ECBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000189097436 280372388 /nfs/dbraw/zinc/37/23/88/280372388.db2.gz AAOZGIAWZUDYCC-UHFFFAOYSA-N 1 1 343.405 0.737 20 5 ECBDMO CCn1cc(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)c([N+](=O)[O-])n1 ZINC000443422784 281629101 /nfs/dbraw/zinc/62/91/01/281629101.db2.gz OCCAMMZLGLJFDR-UHFFFAOYSA-N 1 1 348.344 0.977 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCNC1=O ZINC000340222316 437609645 /nfs/dbraw/zinc/60/96/45/437609645.db2.gz KPKGQKTZDGEPPI-LBPRGKRZSA-N 1 1 336.348 0.752 20 5 ECBDMO C[NH+](C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000359953482 299914975 /nfs/dbraw/zinc/91/49/75/299914975.db2.gz XANIUBVSSVZULK-QWRGUYRKSA-N 1 1 329.378 0.109 20 5 ECBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000337661223 297200769 /nfs/dbraw/zinc/20/07/69/297200769.db2.gz BIXXOWUHDMVFTE-AWEZNQCLSA-N 1 1 344.375 0.911 20 5 ECBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000337661223 297200770 /nfs/dbraw/zinc/20/07/70/297200770.db2.gz BIXXOWUHDMVFTE-AWEZNQCLSA-N 1 1 344.375 0.911 20 5 ECBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000344415957 298015735 /nfs/dbraw/zinc/01/57/35/298015735.db2.gz DRIRLQJZTVFGEW-GFCCVEGCSA-N 1 1 349.391 0.557 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000344415957 298015737 /nfs/dbraw/zinc/01/57/37/298015737.db2.gz DRIRLQJZTVFGEW-GFCCVEGCSA-N 1 1 349.391 0.557 20 5 ECBDMO C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000353378397 299043553 /nfs/dbraw/zinc/04/35/53/299043553.db2.gz GXLSUCRZOJGAFM-YPMHNXCESA-N 1 1 334.376 0.924 20 5 ECBDMO CCCN1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072630349 436048132 /nfs/dbraw/zinc/04/81/32/436048132.db2.gz GTHCIXFLURNIKM-OAHLLOKOSA-N 1 1 325.413 0.958 20 5 ECBDMO CCCN1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072630349 436048139 /nfs/dbraw/zinc/04/81/39/436048139.db2.gz GTHCIXFLURNIKM-OAHLLOKOSA-N 1 1 325.413 0.958 20 5 ECBDMO O=C1C[C@@]2(CN1)CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000072833661 436056630 /nfs/dbraw/zinc/05/66/30/436056630.db2.gz FYWQPLYWTBVBOI-RHSMWYFYSA-N 1 1 349.387 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000076495854 436208152 /nfs/dbraw/zinc/20/81/52/436208152.db2.gz PIEWWDUWRNWJOZ-CYBMUJFWSA-N 1 1 344.375 0.919 20 5 ECBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000076495854 436208155 /nfs/dbraw/zinc/20/81/55/436208155.db2.gz PIEWWDUWRNWJOZ-CYBMUJFWSA-N 1 1 344.375 0.919 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087099737 436396938 /nfs/dbraw/zinc/39/69/38/436396938.db2.gz VNKWBIXKAPUGHF-UHFFFAOYSA-N 1 1 348.403 0.854 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053424908 436533150 /nfs/dbraw/zinc/53/31/50/436533150.db2.gz UEQKTFZKBMLJBO-CQSZACIVSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@H+](CC(=O)N1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053424908 436533155 /nfs/dbraw/zinc/53/31/55/436533155.db2.gz UEQKTFZKBMLJBO-CQSZACIVSA-N 1 1 337.376 0.889 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@@H+]1CCc2sccc2C1 ZINC000056166371 436588106 /nfs/dbraw/zinc/58/81/06/436588106.db2.gz QBPUBTBLQQQBIG-UHFFFAOYSA-N 1 1 336.377 0.422 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@H+]1CCc2sccc2C1 ZINC000056166371 436588107 /nfs/dbraw/zinc/58/81/07/436588107.db2.gz QBPUBTBLQQQBIG-UHFFFAOYSA-N 1 1 336.377 0.422 20 5 ECBDMO CC(C)(O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000530938850 302036494 /nfs/dbraw/zinc/03/64/94/302036494.db2.gz FPAZLAPPEIPMHN-CQSZACIVSA-N 1 1 342.396 0.404 20 5 ECBDMO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000114379492 436640650 /nfs/dbraw/zinc/64/06/50/436640650.db2.gz OCXGCCYRJVXNFT-GFCCVEGCSA-N 1 1 335.408 0.790 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC000139045092 436662270 /nfs/dbraw/zinc/66/22/70/436662270.db2.gz MXVIIPVUWBRXCC-ZDUSSCGKSA-N 1 1 347.375 0.683 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC000139045092 436662273 /nfs/dbraw/zinc/66/22/73/436662273.db2.gz MXVIIPVUWBRXCC-ZDUSSCGKSA-N 1 1 347.375 0.683 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000273349880 436748696 /nfs/dbraw/zinc/74/86/96/436748696.db2.gz PBYSQOJXEIFPGW-KGLIPLIRSA-N 1 1 340.376 0.808 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273469429 436757975 /nfs/dbraw/zinc/75/79/75/436757975.db2.gz CTRQQENTHYQIOW-UHFFFAOYSA-N 1 1 345.421 0.983 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)nc1 ZINC000245431750 436762736 /nfs/dbraw/zinc/76/27/36/436762736.db2.gz AXSFKCUTNSSZGP-OCCSQVGLSA-N 1 1 332.364 0.734 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000248675919 436807211 /nfs/dbraw/zinc/80/72/11/436807211.db2.gz TUGRHQBOUUVDKR-RYUDHWBXSA-N 1 1 339.396 0.728 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000248675919 436807213 /nfs/dbraw/zinc/80/72/13/436807213.db2.gz TUGRHQBOUUVDKR-RYUDHWBXSA-N 1 1 339.396 0.728 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155920941 436807312 /nfs/dbraw/zinc/80/73/12/436807312.db2.gz GFGUJQZKKVEELT-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000154438157 436780214 /nfs/dbraw/zinc/78/02/14/436780214.db2.gz KLTBUCANAAXFNM-OWCLPIDISA-N 1 1 346.387 0.715 20 5 ECBDMO CN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000154438157 436780217 /nfs/dbraw/zinc/78/02/17/436780217.db2.gz KLTBUCANAAXFNM-OWCLPIDISA-N 1 1 346.387 0.715 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000246681159 436784092 /nfs/dbraw/zinc/78/40/92/436784092.db2.gz HIZTWFJEBZLBDS-KGLIPLIRSA-N 1 1 348.359 0.924 20 5 ECBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279648692 436830858 /nfs/dbraw/zinc/83/08/58/436830858.db2.gz BCBIPRKPIWJUIX-GFCCVEGCSA-N 1 1 336.392 0.846 20 5 ECBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279648692 436830860 /nfs/dbraw/zinc/83/08/60/436830860.db2.gz BCBIPRKPIWJUIX-GFCCVEGCSA-N 1 1 336.392 0.846 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135602608 436920375 /nfs/dbraw/zinc/92/03/75/436920375.db2.gz RRKMXVRWKKJYTQ-ZDUSSCGKSA-N 1 1 326.353 0.034 20 5 ECBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000134353669 436895203 /nfs/dbraw/zinc/89/52/03/436895203.db2.gz LVLFCSCZFIQJKJ-CHWSQXEVSA-N 1 1 345.359 0.683 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000171808564 436990263 /nfs/dbraw/zinc/99/02/63/436990263.db2.gz VPHYLSNMBNIIPC-SNVBAGLBSA-N 1 1 325.369 0.721 20 5 ECBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000286030840 437086528 /nfs/dbraw/zinc/08/65/28/437086528.db2.gz JEIWTYOZQRSAGN-SNVBAGLBSA-N 1 1 339.377 0.947 20 5 ECBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286718598 437123886 /nfs/dbraw/zinc/12/38/86/437123886.db2.gz GDODQDYVVSRPEP-CYBMUJFWSA-N 1 1 338.364 0.967 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000265760967 437187469 /nfs/dbraw/zinc/18/74/69/437187469.db2.gz LVLDDBWVPQSUNH-UHFFFAOYSA-N 1 1 330.348 0.873 20 5 ECBDMO CC[N@H+]1CCCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000267218788 437307536 /nfs/dbraw/zinc/30/75/36/437307536.db2.gz NIUHCURWFPBXOD-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181329694 437317178 /nfs/dbraw/zinc/31/71/78/437317178.db2.gz BZWJWBZZWNGAMP-OAHLLOKOSA-N 1 1 345.359 0.880 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]2C1 ZINC000278648915 437331898 /nfs/dbraw/zinc/33/18/98/437331898.db2.gz DMFFFUNHCPYEFU-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C[C@H](C)O ZINC000289664129 437432013 /nfs/dbraw/zinc/43/20/13/437432013.db2.gz FLXLKBGHDXRYKO-LBPRGKRZSA-N 1 1 325.365 0.907 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000338966457 437428673 /nfs/dbraw/zinc/42/86/73/437428673.db2.gz LMGVIILDTOBDEG-CQSZACIVSA-N 1 1 348.403 0.841 20 5 ECBDMO Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520725 437430479 /nfs/dbraw/zinc/43/04/79/437430479.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520725 437430482 /nfs/dbraw/zinc/43/04/82/437430482.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520725 437430485 /nfs/dbraw/zinc/43/04/85/437430485.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520725 437430488 /nfs/dbraw/zinc/43/04/88/437430488.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520725 437430490 /nfs/dbraw/zinc/43/04/90/437430490.db2.gz WLSKCFDAOHWNAB-DGCLKSJQSA-N 1 1 335.368 0.458 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186701813 437481856 /nfs/dbraw/zinc/48/18/56/437481856.db2.gz RYYLBWVYNBWOHD-AWEZNQCLSA-N 1 1 332.360 0.631 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000339040047 437435597 /nfs/dbraw/zinc/43/55/97/437435597.db2.gz OZBVEGGBBFUQAK-SNVBAGLBSA-N 1 1 331.398 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000339040047 437435598 /nfs/dbraw/zinc/43/55/98/437435598.db2.gz OZBVEGGBBFUQAK-SNVBAGLBSA-N 1 1 331.398 0.526 20 5 ECBDMO Cc1cc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)n[nH]1 ZINC000187175649 437494993 /nfs/dbraw/zinc/49/49/93/437494993.db2.gz RHJRIXMMUXKGCM-UHFFFAOYSA-N 1 1 332.364 0.610 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330446703 437514299 /nfs/dbraw/zinc/51/42/99/437514299.db2.gz FMVWJUSOUVLKBY-JTQLQIEISA-N 1 1 331.398 0.574 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330446703 437514301 /nfs/dbraw/zinc/51/43/01/437514301.db2.gz FMVWJUSOUVLKBY-JTQLQIEISA-N 1 1 331.398 0.574 20 5 ECBDMO Cc1c(CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000343280960 437546090 /nfs/dbraw/zinc/54/60/90/437546090.db2.gz APAWOAVWMMHZCA-UHFFFAOYSA-N 1 1 334.376 0.730 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000330656616 437581352 /nfs/dbraw/zinc/58/13/52/437581352.db2.gz OWZRGHKNUHEXLG-LLVKDONJSA-N 1 1 325.369 0.415 20 5 ECBDMO O=C1C[C@]2(CN1)CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000362409343 437736595 /nfs/dbraw/zinc/73/65/95/437736595.db2.gz FYWQPLYWTBVBOI-PBHICJAKSA-N 1 1 349.387 0.937 20 5 ECBDMO O=[N+]([O-])c1cnccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000357035878 437892291 /nfs/dbraw/zinc/89/22/91/437892291.db2.gz IZMXWLFXMFADOF-UHFFFAOYSA-N 1 1 343.391 0.826 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371286613 437910489 /nfs/dbraw/zinc/91/04/89/437910489.db2.gz FZLWCMVIQNSKFQ-NWDGAFQWSA-N 1 1 337.380 0.620 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371286613 437910494 /nfs/dbraw/zinc/91/04/94/437910494.db2.gz FZLWCMVIQNSKFQ-NWDGAFQWSA-N 1 1 337.380 0.620 20 5 ECBDMO CNC(=O)C[N@@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000365897660 437988068 /nfs/dbraw/zinc/98/80/68/437988068.db2.gz XVQBCEOXHBDKIN-UHFFFAOYSA-N 1 1 338.393 0.562 20 5 ECBDMO CNC(=O)C[N@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000365897660 437988074 /nfs/dbraw/zinc/98/80/74/437988074.db2.gz XVQBCEOXHBDKIN-UHFFFAOYSA-N 1 1 338.393 0.562 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000371854177 438000617 /nfs/dbraw/zinc/00/06/17/438000617.db2.gz WAMBILFZORHVKI-CHWSQXEVSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000371854177 438000623 /nfs/dbraw/zinc/00/06/23/438000623.db2.gz WAMBILFZORHVKI-CHWSQXEVSA-N 1 1 341.389 0.736 20 5 ECBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000342750401 438057361 /nfs/dbraw/zinc/05/73/61/438057361.db2.gz BKPQLOMMDSYBSF-UHFFFAOYSA-N 1 1 330.348 0.529 20 5 ECBDMO CCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ncc[nH]1 ZINC000348413981 438059723 /nfs/dbraw/zinc/05/97/23/438059723.db2.gz SWTMLCIWFGELEG-ZIAGYGMSSA-N 1 1 349.395 0.254 20 5 ECBDMO CCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ncc[nH]1 ZINC000348413981 438059729 /nfs/dbraw/zinc/05/97/29/438059729.db2.gz SWTMLCIWFGELEG-ZIAGYGMSSA-N 1 1 349.395 0.254 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372289940 438065718 /nfs/dbraw/zinc/06/57/18/438065718.db2.gz SVTPWFGBDRCRQO-RYUDHWBXSA-N 1 1 326.353 0.834 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429311 438071591 /nfs/dbraw/zinc/07/15/91/438071591.db2.gz DZPWDEPCXSWUKI-NEPJUHHUSA-N 1 1 346.343 0.436 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429311 438071596 /nfs/dbraw/zinc/07/15/96/438071596.db2.gz DZPWDEPCXSWUKI-NEPJUHHUSA-N 1 1 346.343 0.436 20 5 ECBDMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358044382 438128721 /nfs/dbraw/zinc/12/87/21/438128721.db2.gz ICYWBBDTMZFOBV-OAHLLOKOSA-N 1 1 339.348 0.408 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1C ZINC000358208391 438183282 /nfs/dbraw/zinc/18/32/82/438183282.db2.gz GEYMNXZXOOUSJZ-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO Cc1c(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358095734 438151804 /nfs/dbraw/zinc/15/18/04/438151804.db2.gz QOKQZAKRDFEKJV-OAHLLOKOSA-N 1 1 336.348 0.025 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111403 438167799 /nfs/dbraw/zinc/16/77/99/438167799.db2.gz XBNCJBUUSURUSU-PWSUYJOCSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111403 438167805 /nfs/dbraw/zinc/16/78/05/438167805.db2.gz XBNCJBUUSURUSU-PWSUYJOCSA-N 1 1 336.348 0.679 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CCCO1 ZINC000432549272 438204069 /nfs/dbraw/zinc/20/40/69/438204069.db2.gz IVNVCIKLFSLWOL-NSHDSACASA-N 1 1 325.369 0.559 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000367988863 438274036 /nfs/dbraw/zinc/27/40/36/438274036.db2.gz MWJUGGOXKZWPDX-SMDDNHRTSA-N 1 1 332.360 0.897 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368100444 438288478 /nfs/dbraw/zinc/28/84/78/438288478.db2.gz QFDLRKWFOBWNQU-SMDDNHRTSA-N 1 1 332.360 0.991 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000359152143 438366104 /nfs/dbraw/zinc/36/61/04/438366104.db2.gz AYSHDSPBTXPOAP-CQSZACIVSA-N 1 1 348.403 0.841 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000378310689 438374745 /nfs/dbraw/zinc/37/47/45/438374745.db2.gz GPDNCJZEJPCIOA-AWEZNQCLSA-N 1 1 334.376 0.610 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314703 438375168 /nfs/dbraw/zinc/37/51/68/438375168.db2.gz LDJZKJYBCUGFER-UTUOFQBUSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314703 438375174 /nfs/dbraw/zinc/37/51/74/438375174.db2.gz LDJZKJYBCUGFER-UTUOFQBUSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314703 438375181 /nfs/dbraw/zinc/37/51/81/438375181.db2.gz LDJZKJYBCUGFER-UTUOFQBUSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000368971247 438405972 /nfs/dbraw/zinc/40/59/72/438405972.db2.gz BAPXICPCKGDLRG-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO NS(=O)(=O)c1cccc(N[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000352390703 438417211 /nfs/dbraw/zinc/41/72/11/438417211.db2.gz GMZNZXPMVOBWFT-VIFPVBQESA-N 1 1 326.378 0.891 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CCO1 ZINC000408039955 438493607 /nfs/dbraw/zinc/49/36/07/438493607.db2.gz AYTLBDFGMCATLF-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420974995 438454756 /nfs/dbraw/zinc/45/47/56/438454756.db2.gz NLCLYYFPWUSAPY-FZMZJTMJSA-N 1 1 332.360 0.768 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420981092 438455790 /nfs/dbraw/zinc/45/57/90/438455790.db2.gz VOKZNHOMSROTSD-NSHDSACASA-N 1 1 348.359 0.961 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000186819087 533697102 /nfs/dbraw/zinc/69/71/02/533697102.db2.gz IKFGJIGKWYTBDO-SNVBAGLBSA-N 1 1 333.348 0.610 20 5 ECBDMO Nc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000370161413 438556050 /nfs/dbraw/zinc/55/60/50/438556050.db2.gz KIMQILHRHZKQHB-GXTWGEPZSA-N 1 1 334.376 0.848 20 5 ECBDMO COC(=O)C[C@H]([NH3+])C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000423007816 438627391 /nfs/dbraw/zinc/62/73/91/438627391.db2.gz YKTLHMGNBRQTAH-JTQLQIEISA-N 1 1 325.277 0.210 20 5 ECBDMO CN(C)C(=O)C1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000411908017 438684041 /nfs/dbraw/zinc/68/40/41/438684041.db2.gz CSGSWCPGGRHZRO-UHFFFAOYSA-N 1 1 332.360 0.694 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423542790 438686589 /nfs/dbraw/zinc/68/65/89/438686589.db2.gz UETWDSNDVRXPPR-NSHDSACASA-N 1 1 347.375 0.213 20 5 ECBDMO CNc1nc(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)ccc1[N+](=O)[O-] ZINC000455457630 438746565 /nfs/dbraw/zinc/74/65/65/438746565.db2.gz FTISWAAGWYUHIF-NSHDSACASA-N 1 1 337.380 0.872 20 5 ECBDMO O=C1NCC[C@]12CCC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811687 438756232 /nfs/dbraw/zinc/75/62/32/438756232.db2.gz CMBCCZCYGGRPAV-XJKSGUPXSA-N 1 1 335.360 0.689 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456028865 438756656 /nfs/dbraw/zinc/75/66/56/438756656.db2.gz TUBWWIHCRUXXGM-MNOVXSKESA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456028865 438756658 /nfs/dbraw/zinc/75/66/58/438756658.db2.gz TUBWWIHCRUXXGM-MNOVXSKESA-N 1 1 337.380 0.559 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000553847360 438757932 /nfs/dbraw/zinc/75/79/32/438757932.db2.gz ZRFRFUYXHBSHIJ-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@@H+](C)C(C)C)c1=O ZINC000514734301 438827909 /nfs/dbraw/zinc/82/79/09/438827909.db2.gz AKGIATDHXAJLJZ-NSHDSACASA-N 1 1 327.337 0.244 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400491 438919161 /nfs/dbraw/zinc/91/91/61/438919161.db2.gz VBWHXFMEKWKCMO-DGCLKSJQSA-N 1 1 336.348 0.631 20 5 ECBDMO COC(=O)c1c(Cl)c(N2CC[NH2+][C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596065145 438920273 /nfs/dbraw/zinc/92/02/73/438920273.db2.gz FBJZYCPPLQRRJJ-SSDOTTSWSA-N 1 1 342.739 0.298 20 5 ECBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596122127 438929082 /nfs/dbraw/zinc/92/90/82/438929082.db2.gz JMOSCLCVRQZVNL-AWEZNQCLSA-N 1 1 347.419 0.910 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000596214312 438942303 /nfs/dbraw/zinc/94/23/03/438942303.db2.gz SKPZBEYZYQPVDF-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO CN1CC[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000565542006 438959794 /nfs/dbraw/zinc/95/97/94/438959794.db2.gz ZSUKJGPIPCOLQG-ZDUSSCGKSA-N 1 1 325.365 0.074 20 5 ECBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520375959 439082560 /nfs/dbraw/zinc/08/25/60/439082560.db2.gz QQLLSLDAQGRZEY-JTQLQIEISA-N 1 1 336.348 0.299 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520375959 439082565 /nfs/dbraw/zinc/08/25/65/439082565.db2.gz QQLLSLDAQGRZEY-JTQLQIEISA-N 1 1 336.348 0.299 20 5 ECBDMO CO[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@](C)(CO)C1 ZINC000602965024 439170973 /nfs/dbraw/zinc/17/09/73/439170973.db2.gz XYEBVYHFDRONFH-RHSMWYFYSA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@](C)(CO)C1 ZINC000602965024 439170978 /nfs/dbraw/zinc/17/09/78/439170978.db2.gz XYEBVYHFDRONFH-RHSMWYFYSA-N 1 1 349.387 0.956 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000602904047 439158329 /nfs/dbraw/zinc/15/83/29/439158329.db2.gz KVIYLYXRAGEIRB-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000602904047 439158334 /nfs/dbraw/zinc/15/83/34/439158334.db2.gz KVIYLYXRAGEIRB-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO COc1cc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000597693854 439161389 /nfs/dbraw/zinc/16/13/89/439161389.db2.gz GANBGCFLBFGHSZ-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598601570 439285001 /nfs/dbraw/zinc/28/50/01/439285001.db2.gz UHKITWICZCDVLI-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO NS(=O)(=O)c1c(NCC[N@@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000526084079 439239518 /nfs/dbraw/zinc/23/95/18/439239518.db2.gz YSBDNWYWRFFTSL-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO NS(=O)(=O)c1c(NCC[N@H+]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000526084079 439239520 /nfs/dbraw/zinc/23/95/20/439239520.db2.gz YSBDNWYWRFFTSL-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489894002 439246582 /nfs/dbraw/zinc/24/65/82/439246582.db2.gz CXGOBJXNROPILI-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451854 439264858 /nfs/dbraw/zinc/26/48/58/439264858.db2.gz DGWVGCALZWLWEN-NSHDSACASA-N 1 1 337.380 0.552 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451854 439264861 /nfs/dbraw/zinc/26/48/61/439264861.db2.gz DGWVGCALZWLWEN-NSHDSACASA-N 1 1 337.380 0.552 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451854 439264862 /nfs/dbraw/zinc/26/48/62/439264862.db2.gz DGWVGCALZWLWEN-NSHDSACASA-N 1 1 337.380 0.552 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000491118239 439333554 /nfs/dbraw/zinc/33/35/54/439333554.db2.gz BYLDRDKDBWPKOU-MRVPVSSYSA-N 1 1 333.341 0.725 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000491118239 439333559 /nfs/dbraw/zinc/33/35/59/439333559.db2.gz BYLDRDKDBWPKOU-MRVPVSSYSA-N 1 1 333.341 0.725 20 5 ECBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593064856 439335024 /nfs/dbraw/zinc/33/50/24/439335024.db2.gz STSSMLYGZWSPLB-XQQFMLRXSA-N 1 1 326.349 0.416 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000599108638 439359881 /nfs/dbraw/zinc/35/98/81/439359881.db2.gz SYDNKKATMRXPKS-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593109096 439346652 /nfs/dbraw/zinc/34/66/52/439346652.db2.gz HZWOVFNOEZCNBM-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593109096 439346660 /nfs/dbraw/zinc/34/66/60/439346660.db2.gz HZWOVFNOEZCNBM-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599244984 439397240 /nfs/dbraw/zinc/39/72/40/439397240.db2.gz OUXZDVAZBRIHNS-QWRGUYRKSA-N 1 1 345.425 0.679 20 5 ECBDMO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000599216964 439386096 /nfs/dbraw/zinc/38/60/96/439386096.db2.gz WVWRJZSVYUGISM-GHMZBOCLSA-N 1 1 345.425 0.727 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000599414486 439462270 /nfs/dbraw/zinc/46/22/70/439462270.db2.gz FIRMGSAFTOGQPR-LLVKDONJSA-N 1 1 345.425 0.821 20 5 ECBDMO C[C@](O)(CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000491942697 439476201 /nfs/dbraw/zinc/47/62/01/439476201.db2.gz WMJOMWFZMTZQAQ-OSJSJHBBSA-N 1 1 349.387 0.807 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599619721 439520194 /nfs/dbraw/zinc/52/01/94/439520194.db2.gz UWIXBCMBQQZXQS-UHFFFAOYSA-N 1 1 348.403 0.808 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1(C)C ZINC000594355840 439545479 /nfs/dbraw/zinc/54/54/79/439545479.db2.gz YNOXWWUAUNIQCW-UHFFFAOYSA-N 1 1 336.396 0.328 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609269144 439561062 /nfs/dbraw/zinc/56/10/62/439561062.db2.gz MAOAANMXKXMLRC-GFCCVEGCSA-N 1 1 325.369 0.408 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594846922 439629719 /nfs/dbraw/zinc/62/97/19/439629719.db2.gz LRCFQKUWNPRRON-UHFFFAOYSA-N 1 1 329.378 0.786 20 5 ECBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708205 321000977 /nfs/dbraw/zinc/00/09/77/321000977.db2.gz DHEZXYANNFIAMP-CABCVRRESA-N 1 1 326.397 0.883 20 5 ECBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000344387687 321148078 /nfs/dbraw/zinc/14/80/78/321148078.db2.gz SRGTYXYXFRCFKB-SNVBAGLBSA-N 1 1 346.343 0.353 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000344387687 321148079 /nfs/dbraw/zinc/14/80/79/321148079.db2.gz SRGTYXYXFRCFKB-SNVBAGLBSA-N 1 1 346.343 0.353 20 5 ECBDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672796 321196380 /nfs/dbraw/zinc/19/63/80/321196380.db2.gz SIYYAARKMPHLBS-ZJUUUORDSA-N 1 1 336.352 0.320 20 5 ECBDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672796 321196382 /nfs/dbraw/zinc/19/63/82/321196382.db2.gz SIYYAARKMPHLBS-ZJUUUORDSA-N 1 1 336.352 0.320 20 5 ECBDMO O=C(C[N@@H+]1[C@@H](CO)CC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000347341862 321237151 /nfs/dbraw/zinc/23/71/51/321237151.db2.gz QVCUSSQPFLMXSL-OKILXGFUSA-N 1 1 335.360 0.302 20 5 ECBDMO O=C(C[N@H+]1[C@@H](CO)CC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000347341862 321237152 /nfs/dbraw/zinc/23/71/52/321237152.db2.gz QVCUSSQPFLMXSL-OKILXGFUSA-N 1 1 335.360 0.302 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+](C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639299 321284283 /nfs/dbraw/zinc/28/42/83/321284283.db2.gz CVEVWSLSUMIKFL-STQMWFEESA-N 1 1 340.332 0.338 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639299 321284284 /nfs/dbraw/zinc/28/42/84/321284284.db2.gz CVEVWSLSUMIKFL-STQMWFEESA-N 1 1 340.332 0.338 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348785011 321288094 /nfs/dbraw/zinc/28/80/94/321288094.db2.gz CDPQWAQNLAWFHI-AWEZNQCLSA-N 1 1 344.375 0.825 20 5 ECBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)O ZINC000352204609 321352765 /nfs/dbraw/zinc/35/27/65/321352765.db2.gz YMMMSZGEWOOLGL-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@H](C)O ZINC000352204609 321352767 /nfs/dbraw/zinc/35/27/67/321352767.db2.gz YMMMSZGEWOOLGL-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO O=C(CCN1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000352507884 321362171 /nfs/dbraw/zinc/36/21/71/321362171.db2.gz DPROQADSJVFPSE-AWEZNQCLSA-N 1 1 347.419 0.903 20 5 ECBDMO C[C@H]1C[N@H+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554551372 322172649 /nfs/dbraw/zinc/17/26/49/322172649.db2.gz WJFJBXMDZZLUKL-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1C[N@@H+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554551372 322172652 /nfs/dbraw/zinc/17/26/52/322172652.db2.gz WJFJBXMDZZLUKL-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1CN(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554551372 322172653 /nfs/dbraw/zinc/17/26/53/322172653.db2.gz WJFJBXMDZZLUKL-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO Cc1nn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000181815266 534854583 /nfs/dbraw/zinc/85/45/83/534854583.db2.gz LDXDPDRUIVQTAP-ZDUSSCGKSA-N 1 1 339.396 0.573 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000736173963 578413435 /nfs/dbraw/zinc/41/34/35/578413435.db2.gz MPAZYZUXEGELEV-CYBMUJFWSA-N 1 1 349.391 0.725 20 5 ECBDMO CCOCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736623267 578442459 /nfs/dbraw/zinc/44/24/59/578442459.db2.gz CUNHQNRVFWONTC-UHFFFAOYSA-N 1 1 348.367 0.328 20 5 ECBDMO C[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786764114 578792852 /nfs/dbraw/zinc/79/28/52/578792852.db2.gz QIOLWNOGBHWVPD-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000776585697 579284926 /nfs/dbraw/zinc/28/49/26/579284926.db2.gz ZIWWOGACJXBAAR-FZMZJTMJSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000776585697 579284929 /nfs/dbraw/zinc/28/49/29/579284929.db2.gz ZIWWOGACJXBAAR-FZMZJTMJSA-N 1 1 328.390 0.995 20 5 ECBDMO Cc1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762718071 579546840 /nfs/dbraw/zinc/54/68/40/579546840.db2.gz NTLRZKFTDYCPPO-CQSZACIVSA-N 1 1 338.320 0.608 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000804465678 587085755 /nfs/dbraw/zinc/08/57/55/587085755.db2.gz FGOVCQXIUDDPTK-UHFFFAOYSA-N 1 1 332.364 0.729 20 5 ECBDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815135805 587282994 /nfs/dbraw/zinc/28/29/94/587282994.db2.gz IXPIDUFZIUOTTA-LBPRGKRZSA-N 1 1 342.327 0.495 20 5 ECBDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000815135805 587282996 /nfs/dbraw/zinc/28/29/96/587282996.db2.gz IXPIDUFZIUOTTA-LBPRGKRZSA-N 1 1 342.327 0.495 20 5 ECBDMO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000820456352 587534446 /nfs/dbraw/zinc/53/44/46/587534446.db2.gz SYIWBQBBNBRWMC-ZANVPECISA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000820456352 587534447 /nfs/dbraw/zinc/53/44/47/587534447.db2.gz SYIWBQBBNBRWMC-ZANVPECISA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000824707126 587888809 /nfs/dbraw/zinc/88/88/09/587888809.db2.gz NXJNWPORHQKRHF-GHMZBOCLSA-N 1 1 347.379 0.666 20 5 ECBDMO O=C(NCC[NH+]1CCSCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825868485 587967869 /nfs/dbraw/zinc/96/78/69/587967869.db2.gz DWJXNLILPLWROC-ZDUSSCGKSA-N 1 1 325.390 0.793 20 5 ECBDMO COCC[N@H+]1[C@H](C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000826632520 588074779 /nfs/dbraw/zinc/07/47/79/588074779.db2.gz HGOAEOYXOSNLOG-PHIMTYICSA-N 1 1 337.380 0.634 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000826632520 588074780 /nfs/dbraw/zinc/07/47/80/588074780.db2.gz HGOAEOYXOSNLOG-PHIMTYICSA-N 1 1 337.380 0.634 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827375025 588115921 /nfs/dbraw/zinc/11/59/21/588115921.db2.gz SEHLBRGQUMQNSQ-ZFWWWQNUSA-N 1 1 346.387 0.877 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000827983333 588150356 /nfs/dbraw/zinc/15/03/56/588150356.db2.gz KQVAHXJBSNYWFH-CYBMUJFWSA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000827983333 588150357 /nfs/dbraw/zinc/15/03/57/588150357.db2.gz KQVAHXJBSNYWFH-CYBMUJFWSA-N 1 1 325.340 0.801 20 5 ECBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847945941 589270841 /nfs/dbraw/zinc/27/08/41/589270841.db2.gz BBZAFUUFPBVVMB-ZDUSSCGKSA-N 1 1 331.332 0.700 20 5 ECBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000868343991 589894148 /nfs/dbraw/zinc/89/41/48/589894148.db2.gz MRCBWAWTHIPRRJ-CHWSQXEVSA-N 1 1 337.351 0.944 20 5 ECBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665657 590140066 /nfs/dbraw/zinc/14/00/66/590140066.db2.gz RRRWHUBQSMRFSV-WDEREUQCSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665657 590140069 /nfs/dbraw/zinc/14/00/69/590140069.db2.gz RRRWHUBQSMRFSV-WDEREUQCSA-N 1 1 326.378 0.847 20 5 ECBDMO CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000932060159 611597382 /nfs/dbraw/zinc/59/73/82/611597382.db2.gz NBKQLTUITDEUNM-VNHYZAJKSA-N 1 1 335.360 0.888 20 5 ECBDMO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000919988189 609669208 /nfs/dbraw/zinc/66/92/08/609669208.db2.gz CGMQQYDZGNUZNX-SMDDNHRTSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919988189 609669210 /nfs/dbraw/zinc/66/92/10/609669210.db2.gz CGMQQYDZGNUZNX-SMDDNHRTSA-N 1 1 342.421 0.507 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CO)C1 ZINC000912744231 609998814 /nfs/dbraw/zinc/99/88/14/609998814.db2.gz RJTLOCYROTULCS-GFCCVEGCSA-N 1 1 327.768 0.926 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CO)C1 ZINC000912744231 609998816 /nfs/dbraw/zinc/99/88/16/609998816.db2.gz RJTLOCYROTULCS-GFCCVEGCSA-N 1 1 327.768 0.926 20 5 ECBDMO CCOC(=O)c1ccnc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000471707698 719473278 /nfs/dbraw/zinc/47/32/78/719473278.db2.gz YQYJYTLZKOWCJE-RYUDHWBXSA-N 1 1 336.348 0.686 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001023088881 736478273 /nfs/dbraw/zinc/47/82/73/736478273.db2.gz NNAFRXJCWAUYGD-TXEJJXNPSA-N 1 1 336.396 0.161 20 5 ECBDMO Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997773283 743802451 /nfs/dbraw/zinc/80/24/51/743802451.db2.gz VUIXVNCCXIIMEG-VXGBXAGGSA-N 1 1 339.421 0.840 20 5 ECBDMO Cn1c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nnc1C1CC1 ZINC000983648305 744991323 /nfs/dbraw/zinc/99/13/23/744991323.db2.gz HWMFBRNTONBPLP-OJAKKHQRSA-N 1 1 348.407 0.342 20 5 ECBDMO CCn1c(C)nnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983650558 744994422 /nfs/dbraw/zinc/99/44/22/744994422.db2.gz WGVNSONJWJLNRM-FDYHWXHSSA-N 1 1 336.396 0.256 20 5 ECBDMO Cn1cncc1C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000155594 745296748 /nfs/dbraw/zinc/29/67/48/745296748.db2.gz SPZQFKUEUAZAOJ-HUUCEWRRSA-N 1 1 347.419 0.946 20 5 ECBDMO Cc1nnsc1CN1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000674295 745688113 /nfs/dbraw/zinc/68/81/13/745688113.db2.gz NJTVTBAXCNJENV-VXGBXAGGSA-N 1 1 337.405 0.760 20 5 ECBDMO C[N@@H+]1CCc2c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)ccc([N+](=O)[O-])c2C1 ZINC001168049655 747268151 /nfs/dbraw/zinc/26/81/51/747268151.db2.gz LKGOJXOEDPINQC-BBDZHYCFSA-N 1 1 337.376 0.097 20 5 ECBDMO C[N@H+]1CCc2c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)ccc([N+](=O)[O-])c2C1 ZINC001168049655 747268155 /nfs/dbraw/zinc/26/81/55/747268155.db2.gz LKGOJXOEDPINQC-BBDZHYCFSA-N 1 1 337.376 0.097 20 5 ECBDMO Cc1ccc2c(C[NH2+]CCNC(=O)[C@@H]3CC3[N+](=O)[O-])cc(=O)oc2c1 ZINC001126936831 756757987 /nfs/dbraw/zinc/75/79/87/756757987.db2.gz SXNWAQCGHQQPIN-ZIAGYGMSSA-N 1 1 345.355 0.972 20 5 ECBDMO CC1CC[NH+](CC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011115148 756952375 /nfs/dbraw/zinc/95/23/75/756952375.db2.gz WDIDOJCOARJARK-ZIAGYGMSSA-N 1 1 338.408 0.054 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107234327 757978176 /nfs/dbraw/zinc/97/81/76/757978176.db2.gz YRKQJXGAMTTXDU-SNAWJCMRSA-N 1 1 337.384 0.392 20 5 ECBDMO CC1CCN(C(=O)C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001022061325 758222547 /nfs/dbraw/zinc/22/25/47/758222547.db2.gz CCKZVZWPYDAHIH-XJFOESAGSA-N 1 1 338.408 0.147 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc3c2OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063601 758225932 /nfs/dbraw/zinc/22/59/32/758225932.db2.gz FSYXFLLTKSECKQ-XJFOESAGSA-N 1 1 347.371 0.860 20 5 ECBDMO COc1coc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1=O ZINC001022063917 758226064 /nfs/dbraw/zinc/22/60/64/758226064.db2.gz OVLOXPDSBPJWDU-RBLKWDMZSA-N 1 1 337.332 0.050 20 5 ECBDMO CN(C)c1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001022063610 758226753 /nfs/dbraw/zinc/22/67/53/758226753.db2.gz GBKVDUNOKGXUFC-XJFOESAGSA-N 1 1 333.392 0.550 20 5 ECBDMO Cn1cncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325688 760130592 /nfs/dbraw/zinc/13/05/92/760130592.db2.gz LBQKIAXLXBMNMS-QHSBEEBCSA-N 1 1 335.408 0.850 20 5 ECBDMO Cn1cc(CC[NH+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cn1 ZINC001050516654 760411816 /nfs/dbraw/zinc/41/18/16/760411816.db2.gz FWROBHQLNYHDFR-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001031661958 766380424 /nfs/dbraw/zinc/38/04/24/766380424.db2.gz OOCBPNJTFVKRGZ-GDBMZVCRSA-N 1 1 332.404 0.966 20 5 ECBDMO O=C(CC1CC1)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575051 769158941 /nfs/dbraw/zinc/15/89/41/769158941.db2.gz JMSFMGFJNVHCKB-ZIAGYGMSSA-N 1 1 338.408 0.149 20 5 ECBDMO O=C(C[NH2+][C@@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCC1 ZINC001020139319 772206515 /nfs/dbraw/zinc/20/65/15/772206515.db2.gz XJBJFKIUCSECNX-AAVRWANBSA-N 1 1 338.408 0.291 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000191829065 529384039 /nfs/dbraw/zinc/38/40/39/529384039.db2.gz TUGRHQBOUUVDKR-VXGBXAGGSA-N 1 1 339.396 0.728 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000191829065 529384043 /nfs/dbraw/zinc/38/40/43/529384043.db2.gz TUGRHQBOUUVDKR-VXGBXAGGSA-N 1 1 339.396 0.728 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000355345237 299241351 /nfs/dbraw/zinc/24/13/51/299241351.db2.gz MZWPJADGNPZICV-STQMWFEESA-N 1 1 337.380 0.421 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264556790 283351696 /nfs/dbraw/zinc/35/16/96/283351696.db2.gz PXAOOOCGSWTZEK-CYBMUJFWSA-N 1 1 338.339 0.804 20 5 ECBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H](C)[NH+]1C ZINC000338784532 297295529 /nfs/dbraw/zinc/29/55/29/297295529.db2.gz LBFYAUSPSOTRPY-NXEZZACHSA-N 1 1 328.394 0.771 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000420413875 209362303 /nfs/dbraw/zinc/36/23/03/209362303.db2.gz GAGZVXAABKRTBO-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO Nc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910463 201077690 /nfs/dbraw/zinc/07/76/90/201077690.db2.gz NVNYQKQDPGLIOF-MNOVXSKESA-N 1 1 338.339 0.909 20 5 ECBDMO Nc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910460 201077795 /nfs/dbraw/zinc/07/77/95/201077795.db2.gz NVNYQKQDPGLIOF-GHMZBOCLSA-N 1 1 338.339 0.909 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681915 204022319 /nfs/dbraw/zinc/02/23/19/204022319.db2.gz GTUSOWDVWYPSDU-UONOGXRCSA-N 1 1 348.359 0.513 20 5 ECBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000106884724 204217098 /nfs/dbraw/zinc/21/70/98/204217098.db2.gz JYDOLEJJYQXYKM-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCOC1 ZINC000106884724 204217104 /nfs/dbraw/zinc/21/71/04/204217104.db2.gz JYDOLEJJYQXYKM-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000266179857 248152715 /nfs/dbraw/zinc/15/27/15/248152715.db2.gz YHYUNQIMOLRLCH-CQSZACIVSA-N 1 1 334.376 0.973 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450683981 211337686 /nfs/dbraw/zinc/33/76/86/211337686.db2.gz RAYBYQLQSICAKQ-UHFFFAOYSA-N 1 1 347.375 0.825 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267835734 251394133 /nfs/dbraw/zinc/39/41/33/251394133.db2.gz SIHSFFDEQKGCID-CYBMUJFWSA-N 1 1 347.375 0.941 20 5 ECBDMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000429391493 210315642 /nfs/dbraw/zinc/31/56/42/210315642.db2.gz CWAHMRVWFUIJKR-IHRRRGAJSA-N 1 1 340.380 0.672 20 5 ECBDMO C[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000429351659 210313087 /nfs/dbraw/zinc/31/30/87/210313087.db2.gz FWKZQKCPFNBWJV-BBRMVZONSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@@H]1CN(C2CCC2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351659 210313092 /nfs/dbraw/zinc/31/30/92/210313092.db2.gz FWKZQKCPFNBWJV-BBRMVZONSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@@H]1CN(C2CCC2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351659 210313099 /nfs/dbraw/zinc/31/30/99/210313099.db2.gz FWKZQKCPFNBWJV-BBRMVZONSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419341672 209064243 /nfs/dbraw/zinc/06/42/43/209064243.db2.gz OPGYTJUKOGLRTH-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO CC[N@H+](CCOCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000282067140 264011603 /nfs/dbraw/zinc/01/16/03/264011603.db2.gz MYYYIBSWOMJOMG-UHFFFAOYSA-N 1 1 325.365 0.888 20 5 ECBDMO CC[N@@H+](CCOCCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000282067140 264011606 /nfs/dbraw/zinc/01/16/06/264011606.db2.gz MYYYIBSWOMJOMG-UHFFFAOYSA-N 1 1 325.365 0.888 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353961 264036785 /nfs/dbraw/zinc/03/67/85/264036785.db2.gz CRCJFCMRCJZZTL-ASEORRQLSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353961 264036786 /nfs/dbraw/zinc/03/67/86/264036786.db2.gz CRCJFCMRCJZZTL-ASEORRQLSA-N 1 1 338.364 0.975 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289126858 264552769 /nfs/dbraw/zinc/55/27/69/264552769.db2.gz DRTITKLXLDMLSI-NSHDSACASA-N 1 1 336.396 0.390 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375048373 277178329 /nfs/dbraw/zinc/17/83/29/277178329.db2.gz HXXFGTPKUYDGRI-HZMBPMFUSA-N 1 1 340.405 0.773 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000189441627 437597973 /nfs/dbraw/zinc/59/79/73/437597973.db2.gz FGHSUISQUCENRJ-UHFFFAOYSA-N 1 1 325.369 0.723 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000189441627 437597978 /nfs/dbraw/zinc/59/79/78/437597978.db2.gz FGHSUISQUCENRJ-UHFFFAOYSA-N 1 1 325.369 0.723 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189451681 437599390 /nfs/dbraw/zinc/59/93/90/437599390.db2.gz PCYJVNJWUJCAAN-ZDUSSCGKSA-N 1 1 338.408 0.534 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCNC1=O ZINC000340222832 437610389 /nfs/dbraw/zinc/61/03/89/437610389.db2.gz PHAFFOBSZZYSTD-LBPRGKRZSA-N 1 1 336.348 0.752 20 5 ECBDMO C[C@@](O)(CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000433382601 289123613 /nfs/dbraw/zinc/12/36/13/289123613.db2.gz FFLIYKPAHLJFBH-OAHLLOKOSA-N 1 1 338.364 0.189 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000331851890 296974245 /nfs/dbraw/zinc/97/42/45/296974245.db2.gz AXKWMZDBRWGFBO-UHFFFAOYSA-N 1 1 333.352 0.333 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344881687 298080554 /nfs/dbraw/zinc/08/05/54/298080554.db2.gz BOUGJCRBGASZKV-LBPRGKRZSA-N 1 1 335.364 0.247 20 5 ECBDMO C[C@H](C[NH+](C)C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000346170555 298232731 /nfs/dbraw/zinc/23/27/31/298232731.db2.gz WIJDJMXOFJGXTM-SECBINFHSA-N 1 1 329.378 0.678 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000346278662 298248501 /nfs/dbraw/zinc/24/85/01/298248501.db2.gz CYEAICGIITYGKZ-LLVKDONJSA-N 1 1 348.359 0.388 20 5 ECBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056452 299006480 /nfs/dbraw/zinc/00/64/80/299006480.db2.gz KVURJOABCQCZOI-BFHYXJOUSA-N 1 1 338.364 0.222 20 5 ECBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056452 299006481 /nfs/dbraw/zinc/00/64/81/299006481.db2.gz KVURJOABCQCZOI-BFHYXJOUSA-N 1 1 338.364 0.222 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000364510843 300362955 /nfs/dbraw/zinc/36/29/55/300362955.db2.gz YFLKLUQIILCALC-KGLIPLIRSA-N 1 1 333.348 0.873 20 5 ECBDMO O=C1CCCN1[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075738404 436173719 /nfs/dbraw/zinc/17/37/19/436173719.db2.gz ZEEXBQRKNGLGSG-JSGCOSHPSA-N 1 1 337.380 0.239 20 5 ECBDMO CNC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000376285378 301249479 /nfs/dbraw/zinc/24/94/79/301249479.db2.gz MGFYOATVZNUZEB-ZDUSSCGKSA-N 1 1 336.348 0.370 20 5 ECBDMO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000376285378 301249482 /nfs/dbraw/zinc/24/94/82/301249482.db2.gz MGFYOATVZNUZEB-ZDUSSCGKSA-N 1 1 336.348 0.370 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000029225639 436199556 /nfs/dbraw/zinc/19/95/56/436199556.db2.gz JCLHRFYEQVADNY-UHFFFAOYSA-N 1 1 338.364 0.908 20 5 ECBDMO CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569244 436351098 /nfs/dbraw/zinc/35/10/98/436351098.db2.gz NWDVHAIYFMTKOK-ZFWWWQNUSA-N 1 1 325.413 0.816 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000090550906 436433010 /nfs/dbraw/zinc/43/30/10/436433010.db2.gz RSXZTALDGVBCGF-CQSZACIVSA-N 1 1 336.392 0.553 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000092842235 436476353 /nfs/dbraw/zinc/47/63/53/436476353.db2.gz LIOPLJYGWFNIHR-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000092842235 436476356 /nfs/dbraw/zinc/47/63/56/436476356.db2.gz LIOPLJYGWFNIHR-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052671774 436512929 /nfs/dbraw/zinc/51/29/29/436512929.db2.gz NEWAEWSGCGGXFS-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052671774 436512932 /nfs/dbraw/zinc/51/29/32/436512932.db2.gz NEWAEWSGCGGXFS-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CCC[N@H+](CC(=O)NC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056508988 436593131 /nfs/dbraw/zinc/59/31/31/436593131.db2.gz GDCQSVLHSATCAQ-ZDUSSCGKSA-N 1 1 325.365 0.793 20 5 ECBDMO C[C@@H]1CN(CC[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195311100 436688100 /nfs/dbraw/zinc/68/81/00/436688100.db2.gz FCYLWOCKOWEGMG-VNHYZAJKSA-N 1 1 341.412 0.193 20 5 ECBDMO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000151302998 436700431 /nfs/dbraw/zinc/70/04/31/436700431.db2.gz BDXJQRYMEARLNL-LBPRGKRZSA-N 1 1 340.384 0.059 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000069502463 436778033 /nfs/dbraw/zinc/77/80/33/436778033.db2.gz VCQLXXDUNPNMAL-GFCCVEGCSA-N 1 1 325.369 0.327 20 5 ECBDMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273906447 436787951 /nfs/dbraw/zinc/78/79/51/436787951.db2.gz ABZPMTNATQOYGF-GXFFZTMASA-N 1 1 333.348 0.979 20 5 ECBDMO CCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352821 436793186 /nfs/dbraw/zinc/79/31/86/436793186.db2.gz GVEBHSPSVGEKNH-GXTWGEPZSA-N 1 1 339.396 0.390 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000155527768 436797253 /nfs/dbraw/zinc/79/72/53/436797253.db2.gz CIUDIXRIWHLKHF-UHFFFAOYSA-N 1 1 337.423 0.821 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000155527768 436797256 /nfs/dbraw/zinc/79/72/56/436797256.db2.gz CIUDIXRIWHLKHF-UHFFFAOYSA-N 1 1 337.423 0.821 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@H]2C1 ZINC000293902895 436918915 /nfs/dbraw/zinc/91/89/15/436918915.db2.gz MZWPJADGNPZICV-QWHCGFSZSA-N 1 1 337.380 0.421 20 5 ECBDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000275132111 436927553 /nfs/dbraw/zinc/92/75/53/436927553.db2.gz RZTHNOXGWUOVRU-VIFPVBQESA-N 1 1 335.286 0.792 20 5 ECBDMO Cc1cc[nH+]c(N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000161783533 436898725 /nfs/dbraw/zinc/89/87/25/436898725.db2.gz QLBLKTLYRDUWFY-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000262008850 436902251 /nfs/dbraw/zinc/90/22/51/436902251.db2.gz QNFYXIMWGQINSH-LBPRGKRZSA-N 1 1 330.348 0.818 20 5 ECBDMO COCCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000275447168 436970501 /nfs/dbraw/zinc/97/05/01/436970501.db2.gz LCKPYGRVMVMNIS-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000275447168 436970505 /nfs/dbraw/zinc/97/05/05/436970505.db2.gz LCKPYGRVMVMNIS-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280935532 436934809 /nfs/dbraw/zinc/93/48/09/436934809.db2.gz HLJYWYCVPBJXAD-JKSUJKDBSA-N 1 1 347.375 0.838 20 5 ECBDMO Nc1nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000263723770 436981431 /nfs/dbraw/zinc/98/14/31/436981431.db2.gz OZENRMOPQZNRMS-UHFFFAOYSA-N 1 1 349.395 0.102 20 5 ECBDMO Nc1nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000263723770 436981435 /nfs/dbraw/zinc/98/14/35/436981435.db2.gz OZENRMOPQZNRMS-UHFFFAOYSA-N 1 1 349.395 0.102 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000275196300 436937771 /nfs/dbraw/zinc/93/77/71/436937771.db2.gz GQWBCUHKDXGJLF-GHMZBOCLSA-N 1 1 325.369 0.013 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264485520 437036335 /nfs/dbraw/zinc/03/63/35/437036335.db2.gz INRCSGBVIZUGHT-CQSZACIVSA-N 1 1 334.376 0.593 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297708656 437013999 /nfs/dbraw/zinc/01/39/99/437013999.db2.gz ASPPSZJRDBRAIC-UHFFFAOYSA-N 1 1 338.364 0.536 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264504958 437039475 /nfs/dbraw/zinc/03/94/75/437039475.db2.gz KSTQVUFSEQXRQU-AWEZNQCLSA-N 1 1 349.391 0.463 20 5 ECBDMO CCOC(=O)[C@H](CC)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263503 437080154 /nfs/dbraw/zinc/08/01/54/437080154.db2.gz PESHMBPOWIJYGY-KBPBESRZSA-N 1 1 340.380 0.958 20 5 ECBDMO CCOC(=O)[C@H](CC)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263503 437080157 /nfs/dbraw/zinc/08/01/57/437080157.db2.gz PESHMBPOWIJYGY-KBPBESRZSA-N 1 1 340.380 0.958 20 5 ECBDMO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1CO ZINC000276716070 437151785 /nfs/dbraw/zinc/15/17/85/437151785.db2.gz AVZGSMODLXLQRU-ZJUUUORDSA-N 1 1 337.332 0.822 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1CO ZINC000276716070 437151789 /nfs/dbraw/zinc/15/17/89/437151789.db2.gz AVZGSMODLXLQRU-ZJUUUORDSA-N 1 1 337.332 0.822 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418322 437160920 /nfs/dbraw/zinc/16/09/20/437160920.db2.gz FDQLSYRCZUQGMC-YUELXQCFSA-N 1 1 325.413 0.814 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418322 437160925 /nfs/dbraw/zinc/16/09/25/437160925.db2.gz FDQLSYRCZUQGMC-YUELXQCFSA-N 1 1 325.413 0.814 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000331571223 437121755 /nfs/dbraw/zinc/12/17/55/437121755.db2.gz YQCLBMCHIKLXJA-GFCCVEGCSA-N 1 1 338.412 0.991 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000265639512 437166479 /nfs/dbraw/zinc/16/64/79/437166479.db2.gz LLSIFYFWCYUBKO-UHFFFAOYSA-N 1 1 338.412 0.638 20 5 ECBDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267095819 437288733 /nfs/dbraw/zinc/28/87/33/437288733.db2.gz MYMDTOXGTISXTN-SNVBAGLBSA-N 1 1 338.364 0.856 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267095819 437288735 /nfs/dbraw/zinc/28/87/35/437288735.db2.gz MYMDTOXGTISXTN-SNVBAGLBSA-N 1 1 338.364 0.856 20 5 ECBDMO O=C1C[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858123 437350578 /nfs/dbraw/zinc/35/05/78/437350578.db2.gz KYUYBUJNUOAWDR-CJNGLKHVSA-N 1 1 335.360 0.547 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279064104 437370820 /nfs/dbraw/zinc/37/08/20/437370820.db2.gz DKCPJMJBLNTGDJ-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000279064104 437370824 /nfs/dbraw/zinc/37/08/24/437370824.db2.gz DKCPJMJBLNTGDJ-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO O=c1nc([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289406194 437408577 /nfs/dbraw/zinc/40/85/77/437408577.db2.gz LJHFPXMBYABFGC-DGCLKSJQSA-N 1 1 333.348 0.919 20 5 ECBDMO Nc1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000186701646 437481598 /nfs/dbraw/zinc/48/15/98/437481598.db2.gz YECSKVOTLZXZNZ-GFCCVEGCSA-N 1 1 347.375 0.213 20 5 ECBDMO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187262955 437497124 /nfs/dbraw/zinc/49/71/24/437497124.db2.gz JZJZDMFOSNMYEA-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187262955 437497128 /nfs/dbraw/zinc/49/71/28/437497128.db2.gz JZJZDMFOSNMYEA-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000330455989 437518093 /nfs/dbraw/zinc/51/80/93/437518093.db2.gz OQZAKESSIROMCO-SNVBAGLBSA-N 1 1 331.398 0.383 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000191838086 437657686 /nfs/dbraw/zinc/65/76/86/437657686.db2.gz YOGZIHVXJZOVGV-LBPRGKRZSA-N 1 1 337.380 0.606 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192505558 437680382 /nfs/dbraw/zinc/68/03/82/437680382.db2.gz COEHABZMMIYBQN-BNOWGMLFSA-N 1 1 346.387 0.733 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C2)C1 ZINC000292419315 437690600 /nfs/dbraw/zinc/69/06/00/437690600.db2.gz WJCZBOKUTLZNBI-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C2)C1 ZINC000292419312 437691284 /nfs/dbraw/zinc/69/12/84/437691284.db2.gz WJCZBOKUTLZNBI-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+](CC(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000355613076 437721048 /nfs/dbraw/zinc/72/10/48/437721048.db2.gz YEEBZIAZYOGKCN-UHFFFAOYSA-N 1 1 339.348 0.842 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](CC(N)=O)C(C)C)cc1[N+](=O)[O-] ZINC000355613076 437721052 /nfs/dbraw/zinc/72/10/52/437721052.db2.gz YEEBZIAZYOGKCN-UHFFFAOYSA-N 1 1 339.348 0.842 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CCCO1 ZINC000347159989 437843690 /nfs/dbraw/zinc/84/36/90/437843690.db2.gz MTTNWUZHELSFIW-NSHDSACASA-N 1 1 325.369 0.559 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365543494 437930916 /nfs/dbraw/zinc/93/09/16/437930916.db2.gz CQSODDPGRUBRCS-QEJZJMRPSA-N 1 1 346.387 0.699 20 5 ECBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416296408 437906843 /nfs/dbraw/zinc/90/68/43/437906843.db2.gz NUQTUKHIOWZAHB-QWRGUYRKSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416296408 437906847 /nfs/dbraw/zinc/90/68/47/437906847.db2.gz NUQTUKHIOWZAHB-QWRGUYRKSA-N 1 1 347.375 0.998 20 5 ECBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371268331 437909395 /nfs/dbraw/zinc/90/93/95/437909395.db2.gz JDTHBSNMEOAOIH-ZDUSSCGKSA-N 1 1 330.348 0.800 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]21 ZINC000371702654 437980778 /nfs/dbraw/zinc/98/07/78/437980778.db2.gz ZCBQZXSVQDCCMG-ZWNOBZJWSA-N 1 1 340.405 0.773 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416460939 437936512 /nfs/dbraw/zinc/93/65/12/437936512.db2.gz XPQUYXYLNBLEMU-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372283801 438061553 /nfs/dbraw/zinc/06/15/53/438061553.db2.gz UXVKTQLQYSCPIY-NSHDSACASA-N 1 1 331.398 0.368 20 5 ECBDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372283801 438061558 /nfs/dbraw/zinc/06/15/58/438061558.db2.gz UXVKTQLQYSCPIY-NSHDSACASA-N 1 1 331.398 0.368 20 5 ECBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372346450 438076144 /nfs/dbraw/zinc/07/61/44/438076144.db2.gz NOVVEKBEQRVVDA-UBHSHLNASA-N 1 1 334.376 0.875 20 5 ECBDMO COC(=O)c1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000358058764 438137565 /nfs/dbraw/zinc/13/75/65/438137565.db2.gz QSHPUHGCLIWFKS-HNNXBMFYSA-N 1 1 337.332 0.178 20 5 ECBDMO COC(=O)c1cnc(N2CC[NH+](CC(C)(C)O)CC2)c([N+](=O)[O-])c1 ZINC000358145962 438165806 /nfs/dbraw/zinc/16/58/06/438165806.db2.gz IEPKMHJYDZZLTR-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367511696 438216037 /nfs/dbraw/zinc/21/60/37/438216037.db2.gz CYSGYYNJINWYDM-LLVKDONJSA-N 1 1 331.398 0.320 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367511696 438216043 /nfs/dbraw/zinc/21/60/43/438216043.db2.gz CYSGYYNJINWYDM-LLVKDONJSA-N 1 1 331.398 0.320 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000358431388 438223597 /nfs/dbraw/zinc/22/35/97/438223597.db2.gz STJTYIOPCFYUSX-LLVKDONJSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000358431388 438223601 /nfs/dbraw/zinc/22/36/01/438223601.db2.gz STJTYIOPCFYUSX-LLVKDONJSA-N 1 1 329.378 0.727 20 5 ECBDMO O=c1[nH]c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714639 438241081 /nfs/dbraw/zinc/24/10/81/438241081.db2.gz DBOYNLZKGZREHX-VXGBXAGGSA-N 1 1 345.359 1.519 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000368294191 438311003 /nfs/dbraw/zinc/31/10/03/438311003.db2.gz OYHKLSWCQRDOIO-JQWIXIFHSA-N 1 1 340.405 0.773 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]12 ZINC000377654442 438318019 /nfs/dbraw/zinc/31/80/19/438318019.db2.gz OIJYCEWNXZVPDJ-BYCMXARLSA-N 1 1 344.371 0.768 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]12 ZINC000377654442 438318024 /nfs/dbraw/zinc/31/80/24/438318024.db2.gz OIJYCEWNXZVPDJ-BYCMXARLSA-N 1 1 344.371 0.768 20 5 ECBDMO C[N@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000369137483 438427145 /nfs/dbraw/zinc/42/71/45/438427145.db2.gz MJSNHABMZZOJBQ-UHFFFAOYSA-N 1 1 330.348 0.953 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)CCO1 ZINC000408039954 438493509 /nfs/dbraw/zinc/49/35/09/438493509.db2.gz AYTLBDFGMCATLF-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273671 438446410 /nfs/dbraw/zinc/44/64/10/438446410.db2.gz IKSLYTQFULBQKJ-LBPRGKRZSA-N 1 1 336.396 0.076 20 5 ECBDMO C[NH+]1CCC(N2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273671 438446415 /nfs/dbraw/zinc/44/64/15/438446415.db2.gz IKSLYTQFULBQKJ-LBPRGKRZSA-N 1 1 336.396 0.076 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420974999 438453022 /nfs/dbraw/zinc/45/30/22/438453022.db2.gz NLCLYYFPWUSAPY-SMDDNHRTSA-N 1 1 332.360 0.768 20 5 ECBDMO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507033 438554287 /nfs/dbraw/zinc/55/42/87/438554287.db2.gz SHRQBJIDTRIONK-LLVKDONJSA-N 1 1 348.363 0.418 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452393345 438660482 /nfs/dbraw/zinc/66/04/82/438660482.db2.gz SJCWQDRMDKNJTH-AWEZNQCLSA-N 1 1 337.376 0.937 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCN(CCCO)C2)s1 ZINC000451673189 438706047 /nfs/dbraw/zinc/70/60/47/438706047.db2.gz UVCJYDSYHKVVCN-JTQLQIEISA-N 1 1 349.434 0.781 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452786381 438673571 /nfs/dbraw/zinc/67/35/71/438673571.db2.gz VAUALZCPURNCSL-ZDUSSCGKSA-N 1 1 336.392 0.970 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423542786 438686202 /nfs/dbraw/zinc/68/62/02/438686202.db2.gz UETWDSNDVRXPPR-LLVKDONJSA-N 1 1 347.375 0.213 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000452387306 438657855 /nfs/dbraw/zinc/65/78/55/438657855.db2.gz GVBDFUDGIPTKJW-CYBMUJFWSA-N 1 1 337.376 0.937 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cn1 ZINC000553266668 438748435 /nfs/dbraw/zinc/74/84/35/438748435.db2.gz OWRQRVVPXFRXKJ-IYBDPMFKSA-N 1 1 347.419 0.975 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cn1 ZINC000553266668 438748438 /nfs/dbraw/zinc/74/84/38/438748438.db2.gz OWRQRVVPXFRXKJ-IYBDPMFKSA-N 1 1 347.419 0.975 20 5 ECBDMO CNc1nc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000456028462 438756465 /nfs/dbraw/zinc/75/64/65/438756465.db2.gz ILJAQCWAEFIHRZ-NSHDSACASA-N 1 1 337.380 0.608 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@H+]1CCO ZINC000456223377 438764544 /nfs/dbraw/zinc/76/45/44/438764544.db2.gz JLKQIDDRTMSPQE-BETUJISGSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1CCO ZINC000456223377 438764548 /nfs/dbraw/zinc/76/45/48/438764548.db2.gz JLKQIDDRTMSPQE-BETUJISGSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1CCO ZINC000601149018 438822511 /nfs/dbraw/zinc/82/25/11/438822511.db2.gz DTEALSHYWAWPOP-MRVPVSSYSA-N 1 1 337.302 0.850 20 5 ECBDMO C[C@@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1CCO ZINC000601149018 438822513 /nfs/dbraw/zinc/82/25/13/438822513.db2.gz DTEALSHYWAWPOP-MRVPVSSYSA-N 1 1 337.302 0.850 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000590044076 438898947 /nfs/dbraw/zinc/89/89/47/438898947.db2.gz GNLZRIIGGCAQIT-NHYWBVRUSA-N 1 1 342.359 0.952 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590279226 438905674 /nfs/dbraw/zinc/90/56/74/438905674.db2.gz ANJXTRRGJPZLPF-ZWNOBZJWSA-N 1 1 348.359 0.704 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCC(CO)(CO)C2)cccc1[N+](=O)[O-] ZINC000595798772 438863190 /nfs/dbraw/zinc/86/31/90/438863190.db2.gz GMNYELQZKXXMLH-UHFFFAOYSA-N 1 1 337.376 0.909 20 5 ECBDMO NC(=O)c1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000595863801 438873164 /nfs/dbraw/zinc/87/31/64/438873164.db2.gz OYHNDUDLGOBLGQ-HNNXBMFYSA-N 1 1 348.403 0.725 20 5 ECBDMO CCN(C)C(=O)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577842171 438873968 /nfs/dbraw/zinc/87/39/68/438873968.db2.gz LIALCZAUQYRFLG-NSHDSACASA-N 1 1 343.405 0.825 20 5 ECBDMO NS(=O)(=O)c1ccc(NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000596050323 438918267 /nfs/dbraw/zinc/91/82/67/438918267.db2.gz FPTVEAFVZMCPCJ-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590440747 438923703 /nfs/dbraw/zinc/92/37/03/438923703.db2.gz BJPPUDSHGNPIKW-TZMCWYRMSA-N 1 1 332.360 0.487 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590447260 438926006 /nfs/dbraw/zinc/92/60/06/438926006.db2.gz WZTCRVGMQRHMHX-DOMZBBRYSA-N 1 1 342.359 0.952 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000590564013 438932699 /nfs/dbraw/zinc/93/26/99/438932699.db2.gz BSXKNDJKDYPTGY-CHWSQXEVSA-N 1 1 337.380 0.421 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596170141 438937403 /nfs/dbraw/zinc/93/74/03/438937403.db2.gz WZCIHEQCHQKMFB-LBPRGKRZSA-N 1 1 335.364 0.438 20 5 ECBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596364431 438957828 /nfs/dbraw/zinc/95/78/28/438957828.db2.gz OASCWUWZVHNAMZ-NSHDSACASA-N 1 1 338.412 0.773 20 5 ECBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000596364431 438957831 /nfs/dbraw/zinc/95/78/31/438957831.db2.gz OASCWUWZVHNAMZ-NSHDSACASA-N 1 1 338.412 0.773 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000602193718 439037463 /nfs/dbraw/zinc/03/74/63/439037463.db2.gz FGMQJBQXDKJKGU-UHFFFAOYSA-N 1 1 349.391 0.239 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000591765816 439082745 /nfs/dbraw/zinc/08/27/45/439082745.db2.gz JSCBITOQTRMNPQ-CQSZACIVSA-N 1 1 330.348 0.861 20 5 ECBDMO Nc1nccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000521459030 439120045 /nfs/dbraw/zinc/12/00/45/439120045.db2.gz QBLOCWFNYJQGIU-LLVKDONJSA-N 1 1 337.380 0.539 20 5 ECBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597854817 439194123 /nfs/dbraw/zinc/19/41/23/439194123.db2.gz MHUGLBGEARRVSH-GFCCVEGCSA-N 1 1 336.392 0.993 20 5 ECBDMO CC(=O)N1CCN(c2ccc(-c3nc(C[NH3+])no3)cc2[N+](=O)[O-])CC1 ZINC000581309923 439197315 /nfs/dbraw/zinc/19/73/15/439197315.db2.gz ZFPKNZZARWSPBN-UHFFFAOYSA-N 1 1 346.347 0.772 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000603560227 439270357 /nfs/dbraw/zinc/27/03/57/439270357.db2.gz YOJRLOWNNZUWNA-UHFFFAOYSA-N 1 1 331.398 0.067 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000603560227 439270360 /nfs/dbraw/zinc/27/03/60/439270360.db2.gz YOJRLOWNNZUWNA-UHFFFAOYSA-N 1 1 331.398 0.067 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897497 439322771 /nfs/dbraw/zinc/32/27/71/439322771.db2.gz FPSNHMCVPLIPNU-ZDUSSCGKSA-N 1 1 335.364 0.927 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000582063256 439287038 /nfs/dbraw/zinc/28/70/38/439287038.db2.gz VRXCMNVLPDRDKM-UONOGXRCSA-N 1 1 339.392 0.381 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598619422 439290396 /nfs/dbraw/zinc/29/03/96/439290396.db2.gz RSGWDOODBUOVOQ-UHFFFAOYSA-N 1 1 336.396 0.752 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278095 439303681 /nfs/dbraw/zinc/30/36/81/439303681.db2.gz DWKSSNBIXSLHPV-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278095 439303685 /nfs/dbraw/zinc/30/36/85/439303685.db2.gz DWKSSNBIXSLHPV-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599255017 439402244 /nfs/dbraw/zinc/40/22/44/439402244.db2.gz ZHMMYSRAONUQJT-LLVKDONJSA-N 1 1 345.425 0.681 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC([NH+](C)C)CC2)n1 ZINC000599329078 439434946 /nfs/dbraw/zinc/43/49/46/439434946.db2.gz DAVOOVLPLVDUQZ-UHFFFAOYSA-N 1 1 331.398 0.479 20 5 ECBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646179 439526013 /nfs/dbraw/zinc/52/60/13/439526013.db2.gz FGRSZJALMRYWNO-SNVBAGLBSA-N 1 1 328.394 0.913 20 5 ECBDMO CC[N@@H+](C)C[C@H](O)CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648765 439526186 /nfs/dbraw/zinc/52/61/86/439526186.db2.gz FFEQKDPVARXBOF-ZBFHGGJFSA-N 1 1 339.392 0.885 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599695895 439537719 /nfs/dbraw/zinc/53/77/19/439537719.db2.gz YRZGXSCUJBSCPE-NSHDSACASA-N 1 1 331.398 0.053 20 5 ECBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594392604 439554561 /nfs/dbraw/zinc/55/45/61/439554561.db2.gz IOSIQBLVOHRTQZ-NWDGAFQWSA-N 1 1 330.344 0.967 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000609269733 439560530 /nfs/dbraw/zinc/56/05/30/439560530.db2.gz WGLRXJBKENZOBT-GFCCVEGCSA-N 1 1 339.396 0.753 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269413 439561590 /nfs/dbraw/zinc/56/15/90/439561590.db2.gz PWNFITDKCXMGMZ-LBPRGKRZSA-N 1 1 325.369 0.327 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000610262213 439606200 /nfs/dbraw/zinc/60/62/00/439606200.db2.gz PPBUORKWKPRFSD-MNOVXSKESA-N 1 1 326.378 0.895 20 5 ECBDMO Nc1c(C(=O)NC2CC([NH+]3CCOCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000600069808 439608931 /nfs/dbraw/zinc/60/89/31/439608931.db2.gz UBOMAARKYYTBCD-UHFFFAOYSA-N 1 1 338.339 0.909 20 5 ECBDMO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] ZINC000594965427 439644971 /nfs/dbraw/zinc/64/49/71/439644971.db2.gz IBMGHLAUNZJNBX-GWCFXTLKSA-N 1 1 330.362 0.505 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000573448413 439646323 /nfs/dbraw/zinc/64/63/23/439646323.db2.gz HXHFPDGSWMZJRY-UHFFFAOYSA-N 1 1 349.391 0.530 20 5 ECBDMO CNc1nccc(C(=O)NC[C@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000573813225 439668570 /nfs/dbraw/zinc/66/85/70/439668570.db2.gz BGXBRKHCJTWPKV-LLVKDONJSA-N 1 1 337.380 0.872 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000611522486 439703467 /nfs/dbraw/zinc/70/34/67/439703467.db2.gz CMRDAHYNGGCHPH-UHFFFAOYSA-N 1 1 346.391 0.677 20 5 ECBDMO CN1CC(=O)N(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595376692 439716947 /nfs/dbraw/zinc/71/69/47/439716947.db2.gz RXOFHUNDIFXOQS-NSHDSACASA-N 1 1 348.363 0.370 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600530085 439674613 /nfs/dbraw/zinc/67/46/13/439674613.db2.gz AMWLPZGNYHCLFU-LLVKDONJSA-N 1 1 346.343 0.645 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000189338654 533701038 /nfs/dbraw/zinc/70/10/38/533701038.db2.gz ZQGUHYLGMBNTPY-CYBMUJFWSA-N 1 1 348.403 0.482 20 5 ECBDMO C[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000340378295 321037746 /nfs/dbraw/zinc/03/77/46/321037746.db2.gz QBGXONAKQIUAOM-JSGCOSHPSA-N 1 1 330.348 0.748 20 5 ECBDMO CCOC(=O)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000342636078 321096305 /nfs/dbraw/zinc/09/63/05/321096305.db2.gz LIZSXWJYUANPJE-CYBMUJFWSA-N 1 1 326.353 0.570 20 5 ECBDMO CCOC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000342636078 321096306 /nfs/dbraw/zinc/09/63/06/321096306.db2.gz LIZSXWJYUANPJE-CYBMUJFWSA-N 1 1 326.353 0.570 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000347508740 321241867 /nfs/dbraw/zinc/24/18/67/321241867.db2.gz IHKJBQRRJBZNDF-LLVKDONJSA-N 1 1 325.369 0.295 20 5 ECBDMO CCNC(=O)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353763132 321413156 /nfs/dbraw/zinc/41/31/56/321413156.db2.gz XFELGZXWKTWLME-UHFFFAOYSA-N 1 1 325.321 0.372 20 5 ECBDMO CCOC(=O)[C@@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548113731 322148869 /nfs/dbraw/zinc/14/88/69/322148869.db2.gz CGAZDALBWJDHFE-HNNXBMFYSA-N 1 1 338.364 0.426 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000560745096 322249639 /nfs/dbraw/zinc/24/96/39/322249639.db2.gz VEARLSMKJXSUAU-UHFFFAOYSA-N 1 1 348.403 0.808 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000569842587 322667126 /nfs/dbraw/zinc/66/71/26/322667126.db2.gz VVGYZWFCMMXKAR-DGCLKSJQSA-N 1 1 325.321 0.545 20 5 ECBDMO Cc1nn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000181815245 534854979 /nfs/dbraw/zinc/85/49/79/534854979.db2.gz LDXDPDRUIVQTAP-CYBMUJFWSA-N 1 1 339.396 0.573 20 5 ECBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000750080923 579347361 /nfs/dbraw/zinc/34/73/61/579347361.db2.gz KLMWWEIHCDCXPX-FZMZJTMJSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000750080923 579347362 /nfs/dbraw/zinc/34/73/62/579347362.db2.gz KLMWWEIHCDCXPX-FZMZJTMJSA-N 1 1 328.390 0.995 20 5 ECBDMO COCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737006838 578472942 /nfs/dbraw/zinc/47/29/42/578472942.db2.gz JWEHFKHCIZGUHC-VIFPVBQESA-N 1 1 334.340 0.303 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791393615 578889656 /nfs/dbraw/zinc/88/96/56/578889656.db2.gz WZQKCUMETKUMFQ-SNVBAGLBSA-N 1 1 340.355 0.845 20 5 ECBDMO CC(C)N1CC[NH+](CCCOC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000791747402 578892318 /nfs/dbraw/zinc/89/23/18/578892318.db2.gz FTCDQBVFTAFXMQ-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590141 579285312 /nfs/dbraw/zinc/28/53/12/579285312.db2.gz YQMICXHSGFYMSA-CQSZACIVSA-N 1 1 343.405 0.596 20 5 ECBDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590141 579285313 /nfs/dbraw/zinc/28/53/13/579285313.db2.gz YQMICXHSGFYMSA-CQSZACIVSA-N 1 1 343.405 0.596 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000762556779 579544137 /nfs/dbraw/zinc/54/41/37/579544137.db2.gz VFEYTMTZUPMPTB-ZDUSSCGKSA-N 1 1 347.368 0.387 20 5 ECBDMO CNC(=O)c1ccc(N2CCN(C)CC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000897098685 586285711 /nfs/dbraw/zinc/28/57/11/586285711.db2.gz TYHTYJIUDZETAF-UHFFFAOYSA-N 1 1 335.408 0.638 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721682 586889894 /nfs/dbraw/zinc/88/98/94/586889894.db2.gz NMFSZQOLYLCEQQ-BZUAXINKSA-N 1 1 333.388 0.925 20 5 ECBDMO O=C(NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839721682 586889895 /nfs/dbraw/zinc/88/98/95/586889895.db2.gz NMFSZQOLYLCEQQ-BZUAXINKSA-N 1 1 333.388 0.925 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839721682 586889897 /nfs/dbraw/zinc/88/98/97/586889897.db2.gz NMFSZQOLYLCEQQ-BZUAXINKSA-N 1 1 333.388 0.925 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000840180110 587178850 /nfs/dbraw/zinc/17/88/50/587178850.db2.gz VYCBFZUXMAKBEP-JTQLQIEISA-N 1 1 334.332 0.870 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000840180110 587178852 /nfs/dbraw/zinc/17/88/52/587178852.db2.gz VYCBFZUXMAKBEP-JTQLQIEISA-N 1 1 334.332 0.870 20 5 ECBDMO COC(=O)[C@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840361106 587431166 /nfs/dbraw/zinc/43/11/66/587431166.db2.gz RUHVBIUFDBKYIP-LLVKDONJSA-N 1 1 333.348 0.784 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000827813069 588142219 /nfs/dbraw/zinc/14/22/19/588142219.db2.gz JNOCGUDPYKZCCP-LBPRGKRZSA-N 1 1 329.397 0.918 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000827813069 588142221 /nfs/dbraw/zinc/14/22/21/588142221.db2.gz JNOCGUDPYKZCCP-LBPRGKRZSA-N 1 1 329.397 0.918 20 5 ECBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000858628916 589761980 /nfs/dbraw/zinc/76/19/80/589761980.db2.gz SXQIJGFKFQEZLQ-VIFPVBQESA-N 1 1 335.769 0.515 20 5 ECBDMO Cc1nn(CN2CC[NH+](CCc3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000872700654 590142364 /nfs/dbraw/zinc/14/23/64/590142364.db2.gz MKKMAFDKYWSXQO-UHFFFAOYSA-N 1 1 331.380 0.708 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000880047707 590363761 /nfs/dbraw/zinc/36/37/61/590363761.db2.gz XFCWOJVHUWXEQH-MNOVXSKESA-N 1 1 338.286 0.805 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880071449 590366131 /nfs/dbraw/zinc/36/61/31/590366131.db2.gz ACDHQJINYFJKHK-LSDHHAIUSA-N 1 1 348.403 0.983 20 5 ECBDMO Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589402 611356383 /nfs/dbraw/zinc/35/63/83/611356383.db2.gz XGNMGDNCATWEAL-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589402 611356384 /nfs/dbraw/zinc/35/63/84/611356384.db2.gz XGNMGDNCATWEAL-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589402 611356385 /nfs/dbraw/zinc/35/63/85/611356385.db2.gz XGNMGDNCATWEAL-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@H+]1C ZINC000925316162 611468031 /nfs/dbraw/zinc/46/80/31/611468031.db2.gz XBQFDZWOLIGVQS-TZMCWYRMSA-N 1 1 348.407 0.914 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928095675 608675910 /nfs/dbraw/zinc/67/59/10/608675910.db2.gz VESJZGXPWFPLGT-MNOVXSKESA-N 1 1 339.421 0.946 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928095675 608675913 /nfs/dbraw/zinc/67/59/13/608675913.db2.gz VESJZGXPWFPLGT-MNOVXSKESA-N 1 1 339.421 0.946 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928092208 611673210 /nfs/dbraw/zinc/67/32/10/611673210.db2.gz GZFCXPCXQANSBB-WDEREUQCSA-N 1 1 325.394 0.487 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910784658 609759787 /nfs/dbraw/zinc/75/97/87/609759787.db2.gz GBTOCCONURCKJG-UHFFFAOYSA-N 1 1 342.359 0.673 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910784658 609759789 /nfs/dbraw/zinc/75/97/89/609759789.db2.gz GBTOCCONURCKJG-UHFFFAOYSA-N 1 1 342.359 0.673 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916663681 609946195 /nfs/dbraw/zinc/94/61/95/609946195.db2.gz LCKIPDTVEZDSJP-MNOVXSKESA-N 1 1 326.378 0.562 20 5 ECBDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000245439416 612587581 /nfs/dbraw/zinc/58/75/81/612587581.db2.gz FUYNAEIDBREUHH-CHWSQXEVSA-N 1 1 349.391 0.723 20 5 ECBDMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000245439416 612587585 /nfs/dbraw/zinc/58/75/85/612587585.db2.gz FUYNAEIDBREUHH-CHWSQXEVSA-N 1 1 349.391 0.723 20 5 ECBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001164667414 719411759 /nfs/dbraw/zinc/41/17/59/719411759.db2.gz FQXUTYLXQWQKAK-QWHCGFSZSA-N 1 1 336.348 0.686 20 5 ECBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164668926 719482460 /nfs/dbraw/zinc/48/24/60/719482460.db2.gz RQMHWXZOBGPIIH-GHMZBOCLSA-N 1 1 336.352 0.171 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001022952987 736309550 /nfs/dbraw/zinc/30/95/50/736309550.db2.gz BNHJTIRKLKHXHM-AOOOYVTPSA-N 1 1 336.377 0.754 20 5 ECBDMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981972105 751386484 /nfs/dbraw/zinc/38/64/84/751386484.db2.gz OAEXSBNVENXJOU-UHFFFAOYSA-N 1 1 332.360 0.505 20 5 ECBDMO Cc1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001025775264 739943734 /nfs/dbraw/zinc/94/37/34/739943734.db2.gz JLCYAGGFJXRKCP-DIACKHNESA-N 1 1 336.417 0.972 20 5 ECBDMO Cc1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001025775264 739943737 /nfs/dbraw/zinc/94/37/37/739943737.db2.gz JLCYAGGFJXRKCP-DIACKHNESA-N 1 1 336.417 0.972 20 5 ECBDMO Cc1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001025775264 739943743 /nfs/dbraw/zinc/94/37/43/739943743.db2.gz JLCYAGGFJXRKCP-DIACKHNESA-N 1 1 336.417 0.972 20 5 ECBDMO CN(C)c1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001025775606 739944322 /nfs/dbraw/zinc/94/43/22/739944322.db2.gz HVYSEWHVNDHDNV-SSZWKKLZSA-N 1 1 345.403 0.359 20 5 ECBDMO CN(C)c1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001025775606 739944326 /nfs/dbraw/zinc/94/43/26/739944326.db2.gz HVYSEWHVNDHDNV-SSZWKKLZSA-N 1 1 345.403 0.359 20 5 ECBDMO CN(C)c1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])ccn1 ZINC001025775606 739944329 /nfs/dbraw/zinc/94/43/29/739944329.db2.gz HVYSEWHVNDHDNV-SSZWKKLZSA-N 1 1 345.403 0.359 20 5 ECBDMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001026138259 740411985 /nfs/dbraw/zinc/41/19/85/740411985.db2.gz BNECKJSMTUFJFC-VIKVFOODSA-N 1 1 342.359 0.502 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001026138259 740411988 /nfs/dbraw/zinc/41/19/88/740411988.db2.gz BNECKJSMTUFJFC-VIKVFOODSA-N 1 1 342.359 0.502 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001026138259 740411989 /nfs/dbraw/zinc/41/19/89/740411989.db2.gz BNECKJSMTUFJFC-VIKVFOODSA-N 1 1 342.359 0.502 20 5 ECBDMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000985431139 747998663 /nfs/dbraw/zinc/99/86/63/747998663.db2.gz MJXCHUUEZPLHRC-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000985431139 747998669 /nfs/dbraw/zinc/99/86/69/747998669.db2.gz MJXCHUUEZPLHRC-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000985431139 747998673 /nfs/dbraw/zinc/99/86/73/747998673.db2.gz MJXCHUUEZPLHRC-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001126943952 756920461 /nfs/dbraw/zinc/92/04/61/756920461.db2.gz WYJZUIGVLURESU-CHWSQXEVSA-N 1 1 326.397 0.149 20 5 ECBDMO O=C(C[NH2+][C@@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)N1CCCCCC1 ZINC001022064127 758227916 /nfs/dbraw/zinc/22/79/16/758227916.db2.gz XJBJFKIUCSECNX-XJFOESAGSA-N 1 1 338.408 0.291 20 5 ECBDMO CSCC(=O)N1C[C@@H]2C[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048667398 760899532 /nfs/dbraw/zinc/89/95/32/760899532.db2.gz ALRRMFKAISNGNB-PHIMTYICSA-N 1 1 339.421 0.582 20 5 ECBDMO CSCC(=O)N1C[C@@H]2C[N@H+](Cc3c([N+](=O)[O-])ncn3C)C[C@@H]2C1 ZINC001048667398 760899546 /nfs/dbraw/zinc/89/95/46/760899546.db2.gz ALRRMFKAISNGNB-PHIMTYICSA-N 1 1 339.421 0.582 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C1 ZINC001048676402 760917105 /nfs/dbraw/zinc/91/71/05/760917105.db2.gz BSRCHZMZVWNRDF-TXEJJXNPSA-N 1 1 344.375 0.860 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C1 ZINC001048676402 760917111 /nfs/dbraw/zinc/91/71/11/760917111.db2.gz BSRCHZMZVWNRDF-TXEJJXNPSA-N 1 1 344.375 0.860 20 5 ECBDMO COCC[N@H+]1CCc2c(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cccc2C1 ZINC001051291695 761836693 /nfs/dbraw/zinc/83/66/93/761836693.db2.gz ZQQHBKLOJQWUKI-HZPDHXFCSA-N 1 1 333.388 0.973 20 5 ECBDMO COCC[N@@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051291695 761836702 /nfs/dbraw/zinc/83/67/02/761836702.db2.gz ZQQHBKLOJQWUKI-HZPDHXFCSA-N 1 1 333.388 0.973 20 5 ECBDMO COCC[N@H+]1CCc2c(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cccc2C1 ZINC001051291695 761836712 /nfs/dbraw/zinc/83/67/12/761836712.db2.gz ZQQHBKLOJQWUKI-HZPDHXFCSA-N 1 1 333.388 0.973 20 5 ECBDMO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031891198 763337652 /nfs/dbraw/zinc/33/76/52/763337652.db2.gz ZOYNRTXVOQJIPS-UHFFFAOYSA-N 1 1 330.348 0.883 20 5 ECBDMO O=C(NCC1C[NH+](CCc2ccc3c(c2)CCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031661409 766381948 /nfs/dbraw/zinc/38/19/48/766381948.db2.gz WOMQEEKDLQJXEN-HZPDHXFCSA-N 1 1 345.399 0.877 20 5 ECBDMO CC1(C(=O)NC2CC[NH+](CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001055574931 769159263 /nfs/dbraw/zinc/15/92/63/769159263.db2.gz DZGCMRKUADDQRS-CHWSQXEVSA-N 1 1 338.408 0.149 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1ccc(=O)[nH]n1 ZINC001031532034 771236729 /nfs/dbraw/zinc/23/67/29/771236729.db2.gz KDEOEYRHFOBUSW-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCN2CCCC2=O)CC1 ZINC001045437075 775609991 /nfs/dbraw/zinc/60/99/91/775609991.db2.gz CCSBTMLQJJNHBB-CHWSQXEVSA-N 1 1 338.408 0.245 20 5 ECBDMO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CS(C)(=O)=O ZINC001266652796 836088597 /nfs/dbraw/zinc/08/85/97/836088597.db2.gz JRZORICYCRVIQB-UHFFFAOYSA-N 1 1 335.407 0.249 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181679645 529921447 /nfs/dbraw/zinc/92/14/47/529921447.db2.gz VTWZTKKUXUYIQL-GXTWGEPZSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181679645 529921449 /nfs/dbraw/zinc/92/14/49/529921449.db2.gz VTWZTKKUXUYIQL-GXTWGEPZSA-N 1 1 337.376 0.935 20 5 ECBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000153514714 530052654 /nfs/dbraw/zinc/05/26/54/530052654.db2.gz FIRLNUYFTGZYSP-GFCCVEGCSA-N 1 1 336.396 0.560 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191621802 530067760 /nfs/dbraw/zinc/06/77/60/530067760.db2.gz ZLQFIAJVWVJHPA-UHFFFAOYSA-N 1 1 335.364 0.071 20 5 ECBDMO O=C1[C@H](N2CC[NH+](CCO)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374618 202055055 /nfs/dbraw/zinc/05/50/55/202055055.db2.gz NQKUYQKMNYQFEI-OAHLLOKOSA-N 1 1 334.376 0.310 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000189548530 237013268 /nfs/dbraw/zinc/01/32/68/237013268.db2.gz PWLMRRWUIFRPDG-VXGBXAGGSA-N 1 1 336.392 0.581 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000226586098 242106479 /nfs/dbraw/zinc/10/64/79/242106479.db2.gz GPZAQAKVMFELFD-HNNXBMFYSA-N 1 1 345.403 0.912 20 5 ECBDMO COC(=O)C1([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000159428895 206246206 /nfs/dbraw/zinc/24/62/06/206246206.db2.gz BRWBPWDSMWNTTO-LBPRGKRZSA-N 1 1 326.353 0.570 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449786580 211297765 /nfs/dbraw/zinc/29/77/65/211297765.db2.gz OUSSRJUNYHWWPR-GFCCVEGCSA-N 1 1 337.376 0.960 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000177303922 207318745 /nfs/dbraw/zinc/31/87/45/207318745.db2.gz SZGGSBBBCRGZNC-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO COC(=O)[C@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073430 208198440 /nfs/dbraw/zinc/19/84/40/208198440.db2.gz QEUAKQCIIDBPIG-TZMCWYRMSA-N 1 1 326.353 0.427 20 5 ECBDMO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000430628382 210392866 /nfs/dbraw/zinc/39/28/66/210392866.db2.gz OORCTPZPRJXRHJ-UHFFFAOYSA-N 1 1 349.391 0.287 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CCO)CCCO ZINC000117340907 221055295 /nfs/dbraw/zinc/05/52/95/221055295.db2.gz LJEJKFYSSHRBGU-UHFFFAOYSA-N 1 1 339.348 0.570 20 5 ECBDMO CCCN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000189396992 165010019 /nfs/dbraw/zinc/01/00/19/165010019.db2.gz PFJXUHIMNDCJTL-CYBMUJFWSA-N 1 1 325.369 0.097 20 5 ECBDMO CCCN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000189396992 165010020 /nfs/dbraw/zinc/01/00/20/165010020.db2.gz PFJXUHIMNDCJTL-CYBMUJFWSA-N 1 1 325.369 0.097 20 5 ECBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000247146147 165156492 /nfs/dbraw/zinc/15/64/92/165156492.db2.gz XGMWGKHCFPCPCX-TUVASFSCSA-N 1 1 340.380 0.421 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248459954 165177847 /nfs/dbraw/zinc/17/78/47/165177847.db2.gz OBNVJJHDLKTWCS-VXGBXAGGSA-N 1 1 325.365 0.648 20 5 ECBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCC[C@H](C)C1 ZINC000250283288 165206490 /nfs/dbraw/zinc/20/64/90/165206490.db2.gz ITBJARPKCWUNIX-QWHCGFSZSA-N 1 1 336.392 0.993 20 5 ECBDMO O=[N+]([O-])c1cnc2ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)nn21 ZINC000301840699 296891764 /nfs/dbraw/zinc/89/17/64/296891764.db2.gz BBEOQRSVSFNWBJ-LBPRGKRZSA-N 1 1 332.364 0.796 20 5 ECBDMO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000269646176 263194463 /nfs/dbraw/zinc/19/44/63/263194463.db2.gz SNXCONJBDQHCQX-STQMWFEESA-N 1 1 336.392 0.993 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269683269 263196976 /nfs/dbraw/zinc/19/69/76/263196976.db2.gz YXVYVTITUMXRES-BXUZGUMPSA-N 1 1 343.405 0.629 20 5 ECBDMO Cc1c(CC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000269689602 263197261 /nfs/dbraw/zinc/19/72/61/263197261.db2.gz JXPJGAHQONCKGR-HNNXBMFYSA-N 1 1 348.403 0.902 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270592068 263255455 /nfs/dbraw/zinc/25/54/55/263255455.db2.gz FFGULGPWMHGONV-NSHDSACASA-N 1 1 335.364 0.974 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272412223 263347935 /nfs/dbraw/zinc/34/79/35/263347935.db2.gz JCIUIWKAWDUYPY-GFCCVEGCSA-N 1 1 335.364 0.247 20 5 ECBDMO CCCC[N@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272975265 263383510 /nfs/dbraw/zinc/38/35/10/263383510.db2.gz CENWBOPAEMMDFK-GFCCVEGCSA-N 1 1 325.365 0.922 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000282251851 264029005 /nfs/dbraw/zinc/02/90/05/264029005.db2.gz GQBPQHLCKQAIMX-YMTOWFKASA-N 1 1 336.348 0.656 20 5 ECBDMO CNC(=O)c1ccc(N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000284556064 264227298 /nfs/dbraw/zinc/22/72/98/264227298.db2.gz MXLPESSMARFMQY-HUUCEWRRSA-N 1 1 334.376 0.864 20 5 ECBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000284613539 264233923 /nfs/dbraw/zinc/23/39/23/264233923.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 1 1 325.369 0.671 20 5 ECBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1[N+](=O)[O-] ZINC000284613539 264233925 /nfs/dbraw/zinc/23/39/25/264233925.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 1 1 325.369 0.671 20 5 ECBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c1[N+](=O)[O-] ZINC000284613539 264233927 /nfs/dbraw/zinc/23/39/27/264233927.db2.gz BHSDZRJVZWEKMK-UWVGGRQHSA-N 1 1 325.369 0.671 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285436596 264312456 /nfs/dbraw/zinc/31/24/56/264312456.db2.gz LWFFVEIFLAGSNE-UWVGGRQHSA-N 1 1 325.369 0.936 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000298304157 265237857 /nfs/dbraw/zinc/23/78/57/265237857.db2.gz NBESUILOJLMTSF-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000190820495 274266453 /nfs/dbraw/zinc/26/64/53/274266453.db2.gz JXKDLUGQYMYYOG-NWDGAFQWSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000190820495 274266454 /nfs/dbraw/zinc/26/64/54/274266454.db2.gz JXKDLUGQYMYYOG-NWDGAFQWSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000190869771 274266563 /nfs/dbraw/zinc/26/65/63/274266563.db2.gz WQSMFTCUKXLSRW-NWDGAFQWSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000190869771 274266567 /nfs/dbraw/zinc/26/65/67/274266567.db2.gz WQSMFTCUKXLSRW-NWDGAFQWSA-N 1 1 337.376 0.548 20 5 ECBDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000291486084 437597232 /nfs/dbraw/zinc/59/72/32/437597232.db2.gz GEZPCAKJPGDWSW-UHFFFAOYSA-N 1 1 342.421 0.921 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C2)C1 ZINC000291628535 437612902 /nfs/dbraw/zinc/61/29/02/437612902.db2.gz BHOBOEHCFYCOPS-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO C[NH+](C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1O ZINC000359953480 299914610 /nfs/dbraw/zinc/91/46/10/299914610.db2.gz XANIUBVSSVZULK-GHMZBOCLSA-N 1 1 329.378 0.109 20 5 ECBDMO CNc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000361211838 300073243 /nfs/dbraw/zinc/07/32/43/300073243.db2.gz KJUHBGOVPDKXDS-ZDUSSCGKSA-N 1 1 349.391 0.706 20 5 ECBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840162 300226469 /nfs/dbraw/zinc/22/64/69/300226469.db2.gz RTWDLXOZIJKUOX-OAHLLOKOSA-N 1 1 348.403 0.870 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000363206703 300254386 /nfs/dbraw/zinc/25/43/86/300254386.db2.gz OWADWUWRXNJGLN-UHFFFAOYSA-N 1 1 325.369 0.362 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000364510844 300362997 /nfs/dbraw/zinc/36/29/97/300362997.db2.gz YFLKLUQIILCALC-UONOGXRCSA-N 1 1 333.348 0.873 20 5 ECBDMO Cc1ccnc(NC(=O)C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075716399 436172242 /nfs/dbraw/zinc/17/22/42/436172242.db2.gz LBAQFZIEMKGNBA-CYBMUJFWSA-N 1 1 348.363 0.426 20 5 ECBDMO Cc1ccnc(NC(=O)C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075716399 436172247 /nfs/dbraw/zinc/17/22/47/436172247.db2.gz LBAQFZIEMKGNBA-CYBMUJFWSA-N 1 1 348.363 0.426 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593343 301362580 /nfs/dbraw/zinc/36/25/80/301362580.db2.gz NNLILDLRTKTGSD-GHMZBOCLSA-N 1 1 337.380 0.863 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726450 301369226 /nfs/dbraw/zinc/36/92/26/301369226.db2.gz PJLUKBDPLAFGTO-GXTWGEPZSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726450 301369229 /nfs/dbraw/zinc/36/92/29/301369229.db2.gz PJLUKBDPLAFGTO-GXTWGEPZSA-N 1 1 344.371 0.552 20 5 ECBDMO CC[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000035709063 436255884 /nfs/dbraw/zinc/25/58/84/436255884.db2.gz VRCMHESFXRZQCZ-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000044687864 436344412 /nfs/dbraw/zinc/34/44/12/436344412.db2.gz IHGHVKGJOHCKJV-TXEJJXNPSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000044687864 436344414 /nfs/dbraw/zinc/34/44/14/436344414.db2.gz IHGHVKGJOHCKJV-TXEJJXNPSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@@](O)(CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000080894212 436329433 /nfs/dbraw/zinc/32/94/33/436329433.db2.gz XJXGZMDDYYRQFZ-MRXNPFEDSA-N 1 1 337.376 0.337 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC1 ZINC000046456916 436395026 /nfs/dbraw/zinc/39/50/26/436395026.db2.gz OBYKTBHLPCVXIU-UHFFFAOYSA-N 1 1 349.391 0.577 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000051181290 436485533 /nfs/dbraw/zinc/48/55/33/436485533.db2.gz RJQSFUHHEPNKEO-RYUDHWBXSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000097617500 436544564 /nfs/dbraw/zinc/54/45/64/436544564.db2.gz ZGFBXIJWYJOVOL-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000106402114 436595461 /nfs/dbraw/zinc/59/54/61/436595461.db2.gz PNQIDYYPMGWBQW-UHFFFAOYSA-N 1 1 339.396 0.442 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057004655 436601328 /nfs/dbraw/zinc/60/13/28/436601328.db2.gz HRHBJWDRMAQCPF-UHFFFAOYSA-N 1 1 349.391 0.604 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536011869 302132474 /nfs/dbraw/zinc/13/24/74/302132474.db2.gz VHZJYXGPYMVDRF-CQSZACIVSA-N 1 1 347.419 0.908 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000538242560 302159034 /nfs/dbraw/zinc/15/90/34/302159034.db2.gz KRXDGXRTTFHAFU-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@H](C)C1 ZINC000538242560 302159036 /nfs/dbraw/zinc/15/90/36/302159036.db2.gz KRXDGXRTTFHAFU-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139185800 436664892 /nfs/dbraw/zinc/66/48/92/436664892.db2.gz IWRYNAIPAONENM-FZMZJTMJSA-N 1 1 334.376 0.924 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248888830 436811908 /nfs/dbraw/zinc/81/19/08/436811908.db2.gz FJMAVEUQEPMOEQ-VXGBXAGGSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248888830 436811911 /nfs/dbraw/zinc/81/19/11/436811911.db2.gz FJMAVEUQEPMOEQ-VXGBXAGGSA-N 1 1 325.365 0.905 20 5 ECBDMO COC(=O)Cn1cc(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000156804876 436820840 /nfs/dbraw/zinc/82/08/40/436820840.db2.gz KAYWEVULRGKSQY-UHFFFAOYSA-N 1 1 345.359 0.960 20 5 ECBDMO COC(=O)Cn1cc(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000156804876 436820843 /nfs/dbraw/zinc/82/08/43/436820843.db2.gz KAYWEVULRGKSQY-UHFFFAOYSA-N 1 1 345.359 0.960 20 5 ECBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000154049118 436769615 /nfs/dbraw/zinc/76/96/15/436769615.db2.gz HXYHKEUADOBBCY-JSGCOSHPSA-N 1 1 334.376 0.699 20 5 ECBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000126234671 436783939 /nfs/dbraw/zinc/78/39/39/436783939.db2.gz ITBJARPKCWUNIX-OLZOCXBDSA-N 1 1 336.392 0.993 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131563071 436854325 /nfs/dbraw/zinc/85/43/25/436854325.db2.gz NEQUTNPJHPVFRT-ZDUSSCGKSA-N 1 1 336.396 0.205 20 5 ECBDMO NC(=O)[C@@H]1CCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131563071 436854329 /nfs/dbraw/zinc/85/43/29/436854329.db2.gz NEQUTNPJHPVFRT-ZDUSSCGKSA-N 1 1 336.396 0.205 20 5 ECBDMO O=C1NCC[C@H]1[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274819072 436877164 /nfs/dbraw/zinc/87/71/64/436877164.db2.gz JLTFXKFLNPVVTH-CQSZACIVSA-N 1 1 344.375 0.872 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000261644234 436881297 /nfs/dbraw/zinc/88/12/97/436881297.db2.gz CLSHBKLYUIQVGE-LBPRGKRZSA-N 1 1 330.348 0.697 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280512714 436900799 /nfs/dbraw/zinc/90/07/99/436900799.db2.gz DFFCNSYQXGFZPX-OAHLLOKOSA-N 1 1 336.348 0.739 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280512714 436900801 /nfs/dbraw/zinc/90/08/01/436900801.db2.gz DFFCNSYQXGFZPX-OAHLLOKOSA-N 1 1 336.348 0.739 20 5 ECBDMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000275448173 436970403 /nfs/dbraw/zinc/97/04/03/436970403.db2.gz CKRMUMXJDHLEIV-SNVBAGLBSA-N 1 1 338.364 0.613 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000275159126 436933253 /nfs/dbraw/zinc/93/32/53/436933253.db2.gz IJDVUAYHCZHROP-CQSZACIVSA-N 1 1 333.348 0.898 20 5 ECBDMO CC1(C)C[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000170628879 436948178 /nfs/dbraw/zinc/94/81/78/436948178.db2.gz ZYQCHQFUPAPVEN-UHFFFAOYSA-N 1 1 325.369 0.408 20 5 ECBDMO CC1(C)C[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000170628879 436948181 /nfs/dbraw/zinc/94/81/81/436948181.db2.gz ZYQCHQFUPAPVEN-UHFFFAOYSA-N 1 1 325.369 0.408 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170691066 436950188 /nfs/dbraw/zinc/95/01/88/436950188.db2.gz LUGORDLJHZYMBR-CYBMUJFWSA-N 1 1 342.421 0.642 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000263817368 436990824 /nfs/dbraw/zinc/99/08/24/436990824.db2.gz YSOYJRPHVCSLEY-UHFFFAOYSA-N 1 1 341.364 0.920 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000172413970 437014530 /nfs/dbraw/zinc/01/45/30/437014530.db2.gz RLYVBFBRGYURRS-SNVBAGLBSA-N 1 1 325.369 0.578 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000173430000 437049626 /nfs/dbraw/zinc/04/96/26/437049626.db2.gz NYKNBHVZXMWDEI-UHFFFAOYSA-N 1 1 349.384 0.981 20 5 ECBDMO C[C@H](CO)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000276149037 437063308 /nfs/dbraw/zinc/06/33/08/437063308.db2.gz DNLCHJADQBPDPL-FRRDWIJNSA-N 1 1 328.365 0.398 20 5 ECBDMO CCCS(=O)(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174819624 437087392 /nfs/dbraw/zinc/08/73/92/437087392.db2.gz LNOCVAPYXAGVCQ-UHFFFAOYSA-N 1 1 345.425 0.585 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000276395729 437099074 /nfs/dbraw/zinc/09/90/74/437099074.db2.gz RWSRSOQIBIELIS-UHFFFAOYSA-N 1 1 343.361 0.316 20 5 ECBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1 ZINC000331475063 437103410 /nfs/dbraw/zinc/10/34/10/437103410.db2.gz PINSKVZNIDQHSY-UBHSHLNASA-N 1 1 337.380 0.143 20 5 ECBDMO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302476812 437144008 /nfs/dbraw/zinc/14/40/08/437144008.db2.gz WUNISMPHBRYIDT-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302476812 437144011 /nfs/dbraw/zinc/14/40/11/437144011.db2.gz WUNISMPHBRYIDT-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO CC(C)N1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287091 437156105 /nfs/dbraw/zinc/15/61/05/437156105.db2.gz AYBZMEBFQNOHDZ-HNNXBMFYSA-N 1 1 325.413 0.957 20 5 ECBDMO CC(C)N1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287091 437156107 /nfs/dbraw/zinc/15/61/07/437156107.db2.gz AYBZMEBFQNOHDZ-HNNXBMFYSA-N 1 1 325.413 0.957 20 5 ECBDMO Cc1nc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000305009981 437158352 /nfs/dbraw/zinc/15/83/52/437158352.db2.gz KCWCDUVQLOTJBS-CYBMUJFWSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nnc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000305009981 437158356 /nfs/dbraw/zinc/15/83/56/437158356.db2.gz KCWCDUVQLOTJBS-CYBMUJFWSA-N 1 1 335.368 0.458 20 5 ECBDMO Cn1cc(C[C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505075 437158530 /nfs/dbraw/zinc/15/85/30/437158530.db2.gz GWCMHXAAROSWIU-IUODEOHRSA-N 1 1 334.380 0.450 20 5 ECBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176212613 437134427 /nfs/dbraw/zinc/13/44/27/437134427.db2.gz GFWDUAUDLTZHFN-LBPRGKRZSA-N 1 1 345.425 0.585 20 5 ECBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276834843 437166699 /nfs/dbraw/zinc/16/66/99/437166699.db2.gz GZSBEYPPLSUDRA-AEGPPILISA-N 1 1 326.349 0.680 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000326758925 437234864 /nfs/dbraw/zinc/23/48/64/437234864.db2.gz NJJGFFUIEPPLTC-CQSZACIVSA-N 1 1 335.364 0.792 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000179403645 437264129 /nfs/dbraw/zinc/26/41/29/437264129.db2.gz QFFAHLYIRHKPGB-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO NC(=O)c1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000267094810 437289420 /nfs/dbraw/zinc/28/94/20/437289420.db2.gz RKIOITPLYYJGCG-UHFFFAOYSA-N 1 1 345.363 0.107 20 5 ECBDMO C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180421382 437289748 /nfs/dbraw/zinc/28/97/48/437289748.db2.gz ZIPOVXGOXXFKHV-LBPRGKRZSA-N 1 1 334.376 0.984 20 5 ECBDMO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198941 437341170 /nfs/dbraw/zinc/34/11/70/437341170.db2.gz WGFSPDPFRQYKSJ-GFCCVEGCSA-N 1 1 325.365 0.791 20 5 ECBDMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198941 437341173 /nfs/dbraw/zinc/34/11/73/437341173.db2.gz WGFSPDPFRQYKSJ-GFCCVEGCSA-N 1 1 325.365 0.791 20 5 ECBDMO O=C1C[C@@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751774 437341454 /nfs/dbraw/zinc/34/14/54/437341454.db2.gz AYFIZSWOMBSYHP-WBMJQRKESA-N 1 1 335.360 0.547 20 5 ECBDMO CC[C@@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000182199056 437342225 /nfs/dbraw/zinc/34/22/25/437342225.db2.gz IJRMQIKYEBYTCV-CYBMUJFWSA-N 1 1 329.378 0.612 20 5 ECBDMO CN1CCN(CCC[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000182967832 437370115 /nfs/dbraw/zinc/37/01/15/437370115.db2.gz DZPXNMRYTCPQRW-UHFFFAOYSA-N 1 1 337.424 0.326 20 5 ECBDMO CN1CCN(CCC[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000182967832 437370120 /nfs/dbraw/zinc/37/01/20/437370120.db2.gz DZPXNMRYTCPQRW-UHFFFAOYSA-N 1 1 337.424 0.326 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289910614 437447479 /nfs/dbraw/zinc/44/74/79/437447479.db2.gz NYMJZAKYHDAWKH-DGCLKSJQSA-N 1 1 340.771 0.949 20 5 ECBDMO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187729538 437511890 /nfs/dbraw/zinc/51/18/90/437511890.db2.gz VSEIKFCOOBASBR-CYBMUJFWSA-N 1 1 348.403 0.482 20 5 ECBDMO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187729538 437511894 /nfs/dbraw/zinc/51/18/94/437511894.db2.gz VSEIKFCOOBASBR-CYBMUJFWSA-N 1 1 348.403 0.482 20 5 ECBDMO COc1cc(S(=O)(=O)NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000186989097 437489295 /nfs/dbraw/zinc/48/92/95/437489295.db2.gz YMVAOUZRIMIBIP-UHFFFAOYSA-N 1 1 325.293 0.476 20 5 ECBDMO Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000330605635 437567300 /nfs/dbraw/zinc/56/73/00/437567300.db2.gz MMLYCMWXDPDCGR-NSHDSACASA-N 1 1 325.369 0.713 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000354923115 437657514 /nfs/dbraw/zinc/65/75/14/437657514.db2.gz NBKSXGGBABBQGN-NEPJUHHUSA-N 1 1 340.332 0.074 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000354923115 437657520 /nfs/dbraw/zinc/65/75/20/437657520.db2.gz NBKSXGGBABBQGN-NEPJUHHUSA-N 1 1 340.332 0.074 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556053 437670949 /nfs/dbraw/zinc/67/09/49/437670949.db2.gz DZQGGQZHPPVMSG-BFHYXJOUSA-N 1 1 340.376 0.806 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000355317903 437696032 /nfs/dbraw/zinc/69/60/32/437696032.db2.gz LZBKAFNOHMXJMI-KGLIPLIRSA-N 1 1 337.380 0.503 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC)c([N+](=O)[O-])n1 ZINC000331169292 437705832 /nfs/dbraw/zinc/70/58/32/437705832.db2.gz NTAOJDQIYOBKGE-SNVBAGLBSA-N 1 1 331.398 0.574 20 5 ECBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363063408 437766404 /nfs/dbraw/zinc/76/64/04/437766404.db2.gz AYTKAGJDSOBUII-GFCCVEGCSA-N 1 1 335.412 0.572 20 5 ECBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363063408 437766405 /nfs/dbraw/zinc/76/64/05/437766405.db2.gz AYTKAGJDSOBUII-GFCCVEGCSA-N 1 1 335.412 0.572 20 5 ECBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347375656 437879633 /nfs/dbraw/zinc/87/96/33/437879633.db2.gz JQBFCVJVRBCREH-CQSZACIVSA-N 1 1 348.403 0.947 20 5 ECBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1CCO ZINC000416303306 437913625 /nfs/dbraw/zinc/91/36/25/437913625.db2.gz XQXAEOLLPCAKLC-NEPJUHHUSA-N 1 1 325.369 0.095 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371286614 437911460 /nfs/dbraw/zinc/91/14/60/437911460.db2.gz FZLWCMVIQNSKFQ-RYUDHWBXSA-N 1 1 337.380 0.620 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371286614 437911463 /nfs/dbraw/zinc/91/14/63/437911463.db2.gz FZLWCMVIQNSKFQ-RYUDHWBXSA-N 1 1 337.380 0.620 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]Cc2cnnn2C)cc1[N+](=O)[O-] ZINC000342244769 437990690 /nfs/dbraw/zinc/99/06/90/437990690.db2.gz KVUIKJUBRYRBIU-UHFFFAOYSA-N 1 1 335.320 0.565 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307627 438050376 /nfs/dbraw/zinc/05/03/76/438050376.db2.gz DUZQQACRQMEPSY-WDEREUQCSA-N 1 1 346.343 0.518 20 5 ECBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C(N)=O)O1 ZINC000366117161 438021645 /nfs/dbraw/zinc/02/16/45/438021645.db2.gz CMDPDFIOSSDKAP-MFKMUULPSA-N 1 1 336.348 0.498 20 5 ECBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C(N)=O)O1 ZINC000366117161 438021649 /nfs/dbraw/zinc/02/16/49/438021649.db2.gz CMDPDFIOSSDKAP-MFKMUULPSA-N 1 1 336.348 0.498 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000357911742 438097157 /nfs/dbraw/zinc/09/71/57/438097157.db2.gz KZDSZFLCBLIMRB-LBPRGKRZSA-N 1 1 348.359 0.531 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366439472 438074239 /nfs/dbraw/zinc/07/42/39/438074239.db2.gz NRPSNYDNLQHZDS-JIMOISOXSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366439472 438074245 /nfs/dbraw/zinc/07/42/45/438074245.db2.gz NRPSNYDNLQHZDS-JIMOISOXSA-N 1 1 346.343 0.516 20 5 ECBDMO Cc1nccnc1N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000374148933 438189921 /nfs/dbraw/zinc/18/99/21/438189921.db2.gz OASOUFFGRHPYJW-AWEZNQCLSA-N 1 1 347.379 0.073 20 5 ECBDMO O=c1[nH]c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714636 438240536 /nfs/dbraw/zinc/24/05/36/438240536.db2.gz DBOYNLZKGZREHX-NEPJUHHUSA-N 1 1 345.359 1.519 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000367907302 438263519 /nfs/dbraw/zinc/26/35/19/438263519.db2.gz PYYHOKPSRULHRD-QMMMGPOBSA-N 1 1 337.361 0.935 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000367907302 438263523 /nfs/dbraw/zinc/26/35/23/438263523.db2.gz PYYHOKPSRULHRD-QMMMGPOBSA-N 1 1 337.361 0.935 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000367988861 438272699 /nfs/dbraw/zinc/27/26/99/438272699.db2.gz MWJUGGOXKZWPDX-FZMZJTMJSA-N 1 1 332.360 0.897 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]12 ZINC000377654443 438319249 /nfs/dbraw/zinc/31/92/49/438319249.db2.gz OIJYCEWNXZVPDJ-DFBGVHRSSA-N 1 1 344.371 0.768 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]12 ZINC000377654443 438319255 /nfs/dbraw/zinc/31/92/55/438319255.db2.gz OIJYCEWNXZVPDJ-DFBGVHRSSA-N 1 1 344.371 0.768 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377666983 438322198 /nfs/dbraw/zinc/32/21/98/438322198.db2.gz CREKLPJKWHBMRY-OSAQELSMSA-N 1 1 335.360 0.402 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])n1 ZINC000420453278 438409101 /nfs/dbraw/zinc/40/91/01/438409101.db2.gz XIFBYQCICFVHTA-MRVPVSSYSA-N 1 1 339.324 0.087 20 5 ECBDMO COC(=O)CNC(=O)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706510 438462926 /nfs/dbraw/zinc/46/29/26/438462926.db2.gz NRKOTBCSSMPNFD-UHFFFAOYSA-N 1 1 337.332 0.469 20 5 ECBDMO COC(=O)CNC(=O)CC[N@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352706510 438462929 /nfs/dbraw/zinc/46/29/29/438462929.db2.gz NRKOTBCSSMPNFD-UHFFFAOYSA-N 1 1 337.332 0.469 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(C)(C)O ZINC000420972058 438453560 /nfs/dbraw/zinc/45/35/60/438453560.db2.gz JLRNSFDPOGAZHC-UHFFFAOYSA-N 1 1 345.421 0.966 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452348288 438654089 /nfs/dbraw/zinc/65/40/89/438654089.db2.gz KWYWWRODJPBQFK-AWEZNQCLSA-N 1 1 337.376 0.937 20 5 ECBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000454247163 438713442 /nfs/dbraw/zinc/71/34/42/438713442.db2.gz UJAZTXFQQUDJLE-UHFFFAOYSA-N 1 1 344.331 0.605 20 5 ECBDMO CC(=O)NCC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000575120648 438738993 /nfs/dbraw/zinc/73/89/93/438738993.db2.gz COVDWDACNFHDKM-UHFFFAOYSA-N 1 1 336.348 0.961 20 5 ECBDMO CNc1nc(C(=O)NC[C@H]2CCC[N@H+]2CCOC)ccc1[N+](=O)[O-] ZINC000455457629 438745857 /nfs/dbraw/zinc/74/58/57/438745857.db2.gz FTISWAAGWYUHIF-LLVKDONJSA-N 1 1 337.380 0.872 20 5 ECBDMO Cn1cc([C@@H](CO)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000494799683 438709930 /nfs/dbraw/zinc/70/99/30/438709930.db2.gz KJQVZCVULGQSND-LSDHHAIUSA-N 1 1 345.359 0.757 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117878 438793209 /nfs/dbraw/zinc/79/32/09/438793209.db2.gz GZTBABBDRMTGLS-CHWSQXEVSA-N 1 1 333.392 0.836 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)Cc1ccccc1 ZINC000595598778 438831713 /nfs/dbraw/zinc/83/17/13/438831713.db2.gz WPQZEFMDKXGSQV-HOCLYGCPSA-N 1 1 334.376 0.688 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000595612536 438834015 /nfs/dbraw/zinc/83/40/15/438834015.db2.gz RBGZUDJLGDDLIZ-ZFWWWQNUSA-N 1 1 347.375 0.948 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000588861337 438846037 /nfs/dbraw/zinc/84/60/37/438846037.db2.gz QZHGKAYQFNVHSC-VXGBXAGGSA-N 1 1 335.360 0.885 20 5 ECBDMO C[NH+](C)C1(CS(=O)(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000601389587 438871959 /nfs/dbraw/zinc/87/19/59/438871959.db2.gz KTVHRPLAVZBPNS-UHFFFAOYSA-N 1 1 340.405 0.772 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589925733 438891140 /nfs/dbraw/zinc/89/11/40/438891140.db2.gz PDBIMKJJFWZXAE-PWSUYJOCSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589928015 438893187 /nfs/dbraw/zinc/89/31/87/438893187.db2.gz CGILVUCAKHETLF-PWSUYJOCSA-N 1 1 341.389 0.928 20 5 ECBDMO COCC[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596074039 438923037 /nfs/dbraw/zinc/92/30/37/438923037.db2.gz OMAHHPGOMFSQKR-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO Nc1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)nc1[N+](=O)[O-] ZINC000596090537 438925781 /nfs/dbraw/zinc/92/57/81/438925781.db2.gz XOIBFBYSOLGGLK-AWEZNQCLSA-N 1 1 339.421 1.192 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)C1 ZINC000596128318 438928520 /nfs/dbraw/zinc/92/85/20/438928520.db2.gz HSBKYAFBXLDUNM-CQSZACIVSA-N 1 1 347.419 0.910 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590573643 438935661 /nfs/dbraw/zinc/93/56/61/438935661.db2.gz XHRVNAIVESIUEI-UHFFFAOYSA-N 1 1 336.396 0.975 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000601632678 438945260 /nfs/dbraw/zinc/94/52/60/438945260.db2.gz PLQKJPVLHDIQLQ-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000601632678 438945266 /nfs/dbraw/zinc/94/52/66/438945266.db2.gz PLQKJPVLHDIQLQ-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO O=C1[C@@H]([N@@H+]2CCC[C@@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629284 438981414 /nfs/dbraw/zinc/98/14/14/438981414.db2.gz GYKOCVVMONPDOI-HOCLYGCPSA-N 1 1 335.360 0.519 20 5 ECBDMO O=C1[C@@H]([N@H+]2CCC[C@@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629284 438981420 /nfs/dbraw/zinc/98/14/20/438981420.db2.gz GYKOCVVMONPDOI-HOCLYGCPSA-N 1 1 335.360 0.519 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nnnn1CC1CC1 ZINC000580424073 439088767 /nfs/dbraw/zinc/08/87/67/439088767.db2.gz PWIBYRJMJMJQNH-LBPRGKRZSA-N 1 1 348.363 0.521 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602622324 439118736 /nfs/dbraw/zinc/11/87/36/439118736.db2.gz SRBLQARGWLSTRY-VXGBXAGGSA-N 1 1 326.353 0.871 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602622324 439118739 /nfs/dbraw/zinc/11/87/39/439118739.db2.gz SRBLQARGWLSTRY-VXGBXAGGSA-N 1 1 326.353 0.871 20 5 ECBDMO CN1CCN(C(=O)C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602966030 439171441 /nfs/dbraw/zinc/17/14/41/439171441.db2.gz VCZJLGJBFHNEPT-INIZCTEOSA-N 1 1 336.392 0.166 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000602776116 439136100 /nfs/dbraw/zinc/13/61/00/439136100.db2.gz QMHCIQLRTJNPNW-UHFFFAOYSA-N 1 1 333.396 0.651 20 5 ECBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000597679726 439158468 /nfs/dbraw/zinc/15/84/68/439158468.db2.gz SGCJTEROCWORDJ-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO CNc1ccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000597693126 439159577 /nfs/dbraw/zinc/15/95/77/439159577.db2.gz BFSTWPIFHXRHAL-UHFFFAOYSA-N 1 1 347.419 0.956 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694802 439161643 /nfs/dbraw/zinc/16/16/43/439161643.db2.gz NXOBYQGAMUGCFA-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694802 439161645 /nfs/dbraw/zinc/16/16/45/439161645.db2.gz NXOBYQGAMUGCFA-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694802 439161649 /nfs/dbraw/zinc/16/16/49/439161649.db2.gz NXOBYQGAMUGCFA-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807088 439203726 /nfs/dbraw/zinc/20/37/26/439203726.db2.gz OFJQPRZBTHXYTF-UWVGGRQHSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807088 439203731 /nfs/dbraw/zinc/20/37/31/439203731.db2.gz OFJQPRZBTHXYTF-UWVGGRQHSA-N 1 1 337.332 0.965 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603423993 439260507 /nfs/dbraw/zinc/26/05/07/439260507.db2.gz UBXPUWPCBZJFAB-ZDUSSCGKSA-N 1 1 338.412 0.537 20 5 ECBDMO CNc1nccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598450292 439264493 /nfs/dbraw/zinc/26/44/93/439264493.db2.gz COBZVOWJQKBRMU-LBPRGKRZSA-N 1 1 349.391 0.703 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630295 439292786 /nfs/dbraw/zinc/29/27/86/439292786.db2.gz GSKRWQIUUZYYCU-LBPRGKRZSA-N 1 1 336.396 0.752 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000490788429 439300714 /nfs/dbraw/zinc/30/07/14/439300714.db2.gz GGLKRAKKKNLEAY-SREVYHEPSA-N 1 1 346.387 0.935 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604267960 439305042 /nfs/dbraw/zinc/30/50/42/439305042.db2.gz JIPWSZBQJGEBRZ-DGCLKSJQSA-N 1 1 334.376 0.924 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100943 439343834 /nfs/dbraw/zinc/34/38/34/439343834.db2.gz QDAPONKSTZLKAR-NLMLSSAPSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100943 439343838 /nfs/dbraw/zinc/34/38/38/439343838.db2.gz QDAPONKSTZLKAR-NLMLSSAPSA-N 1 1 326.374 0.540 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)n1 ZINC000599097473 439355327 /nfs/dbraw/zinc/35/53/27/439355327.db2.gz JABMECRONLLMCN-UHFFFAOYSA-N 1 1 337.361 0.627 20 5 ECBDMO NS(=O)(=O)c1ccc(N2CC[NH+](CCCF)CC2)c([N+](=O)[O-])c1 ZINC000599094820 439355401 /nfs/dbraw/zinc/35/54/01/439355401.db2.gz YUURLLXLBXQKGH-UHFFFAOYSA-N 1 1 346.384 0.724 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593337933 439369222 /nfs/dbraw/zinc/36/92/22/439369222.db2.gz GTAOLEXVOJHBGE-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599237070 439394958 /nfs/dbraw/zinc/39/49/58/439394958.db2.gz KNTOCDOWVWOGSZ-JTQLQIEISA-N 1 1 331.398 0.291 20 5 ECBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593544119 439398754 /nfs/dbraw/zinc/39/87/54/439398754.db2.gz QKJSGYVMEDWEBS-NSHDSACASA-N 1 1 344.393 0.379 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593544119 439398759 /nfs/dbraw/zinc/39/87/59/439398759.db2.gz QKJSGYVMEDWEBS-NSHDSACASA-N 1 1 344.393 0.379 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)nc1 ZINC000593542389 439399317 /nfs/dbraw/zinc/39/93/17/439399317.db2.gz SXRYGQJXRRZEKL-LLVKDONJSA-N 1 1 326.378 0.752 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000599263814 439407576 /nfs/dbraw/zinc/40/75/76/439407576.db2.gz RTIUCWKJGGJTSC-MNOVXSKESA-N 1 1 343.409 0.433 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000599274377 439411327 /nfs/dbraw/zinc/41/13/27/439411327.db2.gz RIDMZRUPEOQESC-ZJUUUORDSA-N 1 1 329.382 0.043 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000599274377 439411332 /nfs/dbraw/zinc/41/13/32/439411332.db2.gz RIDMZRUPEOQESC-ZJUUUORDSA-N 1 1 329.382 0.043 20 5 ECBDMO O=C([C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724983 439455164 /nfs/dbraw/zinc/45/51/64/439455164.db2.gz DEWBKCKTIINNRH-ZDUSSCGKSA-N 1 1 348.403 0.944 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594026460 439510269 /nfs/dbraw/zinc/51/02/69/439510269.db2.gz CKWJKPYIENJTQI-HZSPNIEDSA-N 1 1 348.403 0.981 20 5 ECBDMO Cc1cc(OCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593857385 439478706 /nfs/dbraw/zinc/47/87/06/439478706.db2.gz YZDNONJNBAKLFY-CYBMUJFWSA-N 1 1 335.360 0.559 20 5 ECBDMO Cc1cc(OCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000593857385 439478711 /nfs/dbraw/zinc/47/87/11/439478711.db2.gz YZDNONJNBAKLFY-CYBMUJFWSA-N 1 1 335.360 0.559 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939523 439581723 /nfs/dbraw/zinc/58/17/23/439581723.db2.gz WGZOUHXANGXFSU-WDEREUQCSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939523 439581727 /nfs/dbraw/zinc/58/17/27/439581727.db2.gz WGZOUHXANGXFSU-WDEREUQCSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939523 439581733 /nfs/dbraw/zinc/58/17/33/439581733.db2.gz WGZOUHXANGXFSU-WDEREUQCSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938931 439581943 /nfs/dbraw/zinc/58/19/43/439581943.db2.gz STKZNWIKTBAVHA-DGCLKSJQSA-N 1 1 337.380 0.194 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2n(C)c1=O ZINC000594604120 439582636 /nfs/dbraw/zinc/58/26/36/439582636.db2.gz QUORQDHVDMMTMC-WDEREUQCSA-N 1 1 347.375 0.040 20 5 ECBDMO CNc1nccc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000584539376 439598703 /nfs/dbraw/zinc/59/87/03/439598703.db2.gz QGYXRRCTWZXPJI-UHFFFAOYSA-N 1 1 331.336 0.717 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000610705512 439640973 /nfs/dbraw/zinc/64/09/73/439640973.db2.gz QPZYQNVHJCOOBM-UHFFFAOYSA-N 1 1 334.376 0.370 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600527384 439675093 /nfs/dbraw/zinc/67/50/93/439675093.db2.gz PDQAZPKTKLDHJG-CYBMUJFWSA-N 1 1 334.376 0.966 20 5 ECBDMO NC(=O)N[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000342874147 321107083 /nfs/dbraw/zinc/10/70/83/321107083.db2.gz MLVZWKITCQDIKA-SNVBAGLBSA-N 1 1 349.347 0.635 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000353140447 321382522 /nfs/dbraw/zinc/38/25/22/321382522.db2.gz PLLATOICRJKZOT-HZSPNIEDSA-N 1 1 338.364 0.283 20 5 ECBDMO C[C@@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCF ZINC000619715617 546363201 /nfs/dbraw/zinc/36/32/01/546363201.db2.gz JMSPBUNLSFCTJP-SECBINFHSA-N 1 1 327.312 0.930 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000757511088 579461767 /nfs/dbraw/zinc/46/17/67/579461767.db2.gz KARLAPJACRFSCS-YVMONPNESA-N 1 1 346.387 0.840 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736149634 578411661 /nfs/dbraw/zinc/41/16/61/578411661.db2.gz VKYIIPLUWVLKKE-UWVGGRQHSA-N 1 1 348.367 0.061 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736856037 578457796 /nfs/dbraw/zinc/45/77/96/578457796.db2.gz KJEHERNJIDIZIF-SNVBAGLBSA-N 1 1 332.368 0.948 20 5 ECBDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480438 579126678 /nfs/dbraw/zinc/12/66/78/579126678.db2.gz RFSJEUWOTKLVBY-NSHDSACASA-N 1 1 326.426 0.740 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837192922 588944822 /nfs/dbraw/zinc/94/48/22/588944822.db2.gz XTZGQXVRDJEZLU-NSHDSACASA-N 1 1 341.339 0.638 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837192922 588944824 /nfs/dbraw/zinc/94/48/24/588944824.db2.gz XTZGQXVRDJEZLU-NSHDSACASA-N 1 1 341.339 0.638 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000841215228 588982716 /nfs/dbraw/zinc/98/27/16/588982716.db2.gz LOTBPAYQYNPPBW-UHFFFAOYSA-N 1 1 334.254 0.691 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893939983 586367434 /nfs/dbraw/zinc/36/74/34/586367434.db2.gz LMTZSAKAQCEZJL-HZMBPMFUSA-N 1 1 340.405 0.643 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](C)C1 ZINC000840504584 586380656 /nfs/dbraw/zinc/38/06/56/586380656.db2.gz QSEDJKSKTYHYRI-SNVBAGLBSA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+](C)C1 ZINC000840504584 586380659 /nfs/dbraw/zinc/38/06/59/586380659.db2.gz QSEDJKSKTYHYRI-SNVBAGLBSA-N 1 1 336.348 0.354 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@H]2CO)c2ccccc21 ZINC000894646368 586405176 /nfs/dbraw/zinc/40/51/76/586405176.db2.gz BYNQUPGAOOSMDK-NSHDSACASA-N 1 1 332.360 0.559 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2CO)c2ccccc21 ZINC000894646368 586405179 /nfs/dbraw/zinc/40/51/79/586405179.db2.gz BYNQUPGAOOSMDK-NSHDSACASA-N 1 1 332.360 0.559 20 5 ECBDMO Cc1cc(Cc2noc(CN3CC[NH2+]CC3=O)n2)ccc1[N+](=O)[O-] ZINC000843191081 589053042 /nfs/dbraw/zinc/05/30/42/589053042.db2.gz CANKYLMMRPDRHH-UHFFFAOYSA-N 1 1 331.332 0.809 20 5 ECBDMO CC[NH2+]Cc1noc(-c2cc(S(N)(=O)=O)cc([N+](=O)[O-])c2C)n1 ZINC000843140794 589052236 /nfs/dbraw/zinc/05/22/36/589052236.db2.gz DPPWSFWSHLDVQU-UHFFFAOYSA-N 1 1 341.349 0.710 20 5 ECBDMO O=C(CCCC[NH+]1CCOCC1)OCCn1cc([N+](=O)[O-])cn1 ZINC000803513516 587062648 /nfs/dbraw/zinc/06/26/48/587062648.db2.gz RMDATOHTHZUPNP-UHFFFAOYSA-N 1 1 326.353 0.837 20 5 ECBDMO COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821687680 587621984 /nfs/dbraw/zinc/62/19/84/587621984.db2.gz JUOMHFDERTXZTK-UHFFFAOYSA-N 1 1 336.356 0.550 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848488458 589297573 /nfs/dbraw/zinc/29/75/73/589297573.db2.gz CATKMVUZYIEZLZ-DZGCQCFKSA-N 1 1 346.387 0.936 20 5 ECBDMO O=C1OC[C@H]2C[N@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C[C@@H]12 ZINC000860163672 589750450 /nfs/dbraw/zinc/75/04/50/589750450.db2.gz CPYYXLXFHCCVPY-ZYHUDNBSSA-N 1 1 347.327 0.998 20 5 ECBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858868349 589779629 /nfs/dbraw/zinc/77/96/29/589779629.db2.gz YAFGLFAKNNNCPS-ZDUSSCGKSA-N 1 1 334.376 0.966 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811071 589846804 /nfs/dbraw/zinc/84/68/04/589846804.db2.gz NLIPJQICVYOOFZ-WDEREUQCSA-N 1 1 326.378 0.705 20 5 ECBDMO CON(C)C(=O)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000863587199 590025560 /nfs/dbraw/zinc/02/55/60/590025560.db2.gz KCUVDVDNYWMVRS-JTQLQIEISA-N 1 1 345.377 0.366 20 5 ECBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665774 590139840 /nfs/dbraw/zinc/13/98/40/590139840.db2.gz SRPXEZMROPAWIW-RYUDHWBXSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665774 590139841 /nfs/dbraw/zinc/13/98/41/590139841.db2.gz SRPXEZMROPAWIW-RYUDHWBXSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](CO)C1 ZINC000879002575 590557145 /nfs/dbraw/zinc/55/71/45/590557145.db2.gz WJZRUGPGJBAPRA-GFCCVEGCSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](CO)C1 ZINC000879002575 590557146 /nfs/dbraw/zinc/55/71/46/590557146.db2.gz WJZRUGPGJBAPRA-GFCCVEGCSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](CO)C1 ZINC000879002575 590557147 /nfs/dbraw/zinc/55/71/47/590557147.db2.gz WJZRUGPGJBAPRA-GFCCVEGCSA-N 1 1 340.355 0.671 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000879002079 590557341 /nfs/dbraw/zinc/55/73/41/590557341.db2.gz BDQFVCYOCAGXAQ-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](CO)C1 ZINC000879002079 590557344 /nfs/dbraw/zinc/55/73/44/590557344.db2.gz BDQFVCYOCAGXAQ-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405017 611537097 /nfs/dbraw/zinc/53/70/97/611537097.db2.gz FDUUFVZVCQCLDG-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405017 611537099 /nfs/dbraw/zinc/53/70/99/611537099.db2.gz FDUUFVZVCQCLDG-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405017 611537101 /nfs/dbraw/zinc/53/71/01/611537101.db2.gz FDUUFVZVCQCLDG-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170691063 609751684 /nfs/dbraw/zinc/75/16/84/609751684.db2.gz YPPSWJWNHSAWGR-JTQLQIEISA-N 1 1 346.384 0.739 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170691063 609751686 /nfs/dbraw/zinc/75/16/86/609751686.db2.gz YPPSWJWNHSAWGR-JTQLQIEISA-N 1 1 346.384 0.739 20 5 ECBDMO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472332 609876960 /nfs/dbraw/zinc/87/69/60/609876960.db2.gz IPNQMSBBXYKDFQ-YMTOWFKASA-N 1 1 329.303 0.944 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472332 609876963 /nfs/dbraw/zinc/87/69/63/609876963.db2.gz IPNQMSBBXYKDFQ-YMTOWFKASA-N 1 1 329.303 0.944 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCNCC[NH2+]CC1 ZINC000923465166 611246237 /nfs/dbraw/zinc/24/62/37/611246237.db2.gz VZEXVOQYRMQNCX-UHFFFAOYSA-N 1 1 335.408 0.727 20 5 ECBDMO COc1nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919852 721847425 /nfs/dbraw/zinc/84/74/25/721847425.db2.gz DJSRLMLEMGZCOQ-RYUDHWBXSA-N 1 1 336.396 0.608 20 5 ECBDMO COc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919852 721847427 /nfs/dbraw/zinc/84/74/27/721847427.db2.gz DJSRLMLEMGZCOQ-RYUDHWBXSA-N 1 1 336.396 0.608 20 5 ECBDMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001025775386 739943639 /nfs/dbraw/zinc/94/36/39/739943639.db2.gz VDVRWLRGBHZPEI-VVSAWPALSA-N 1 1 332.360 0.302 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc(CO)ccc3F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776358 739945517 /nfs/dbraw/zinc/94/55/17/739945517.db2.gz ABOXADRKVBINON-QUEVPRLRSA-N 1 1 349.362 0.530 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1nnc[nH]1 ZINC001026114643 740386302 /nfs/dbraw/zinc/38/63/02/740386302.db2.gz IATNDRPFUNHEDR-ITGUQSILSA-N 1 1 328.332 0.573 20 5 ECBDMO CCC[N@@H+](C)CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107280220 758145821 /nfs/dbraw/zinc/14/58/21/758145821.db2.gz JNMIUCIZDDNOIM-SNAWJCMRSA-N 1 1 337.384 0.393 20 5 ECBDMO O=C(CC1CC1)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055493624 768934796 /nfs/dbraw/zinc/93/47/96/768934796.db2.gz SVKVGDHSZIFYLQ-ZIAGYGMSSA-N 1 1 338.408 0.149 20 5 ECBDMO C/C=C(/C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055553640 769100717 /nfs/dbraw/zinc/10/07/17/769100717.db2.gz PLIQTDZKHMAPLI-KXPQISSRSA-N 1 1 338.408 0.315 20 5 ECBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1ccc(=O)[nH]n1 ZINC001031530810 771234028 /nfs/dbraw/zinc/23/40/28/771234028.db2.gz DAOMNYMSXBYLIM-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO Cc1nn(C)cc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725953 788653494 /nfs/dbraw/zinc/65/34/94/788653494.db2.gz WMSNNVZJNSYXEL-ZIAGYGMSSA-N 1 1 333.392 0.428 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725953 788653498 /nfs/dbraw/zinc/65/34/98/788653498.db2.gz WMSNNVZJNSYXEL-ZIAGYGMSSA-N 1 1 333.392 0.428 20 5 ECBDMO Cc1nn(C)cc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725953 788653503 /nfs/dbraw/zinc/65/35/03/788653503.db2.gz WMSNNVZJNSYXEL-ZIAGYGMSSA-N 1 1 333.392 0.428 20 5 ECBDMO C[N@H+](CCNC(=O)CCc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266265613 835579625 /nfs/dbraw/zinc/57/96/25/835579625.db2.gz JQOALXBZNAMTFR-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO C[N@@H+](CCNC(=O)CCc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266265613 835579629 /nfs/dbraw/zinc/57/96/29/835579629.db2.gz JQOALXBZNAMTFR-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO CN(C(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CC1 ZINC001267924980 838801061 /nfs/dbraw/zinc/80/10/61/838801061.db2.gz NFLIBKLRBHXKIH-HBJVGIJOSA-N 1 1 338.408 0.289 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425550933 210071594 /nfs/dbraw/zinc/07/15/94/210071594.db2.gz PSKNUBBNRVTXFV-WCQYABFASA-N 1 1 333.348 0.942 20 5 ECBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000354889543 299151926 /nfs/dbraw/zinc/15/19/26/299151926.db2.gz SWQYLGQNWWKVGO-UHFFFAOYSA-N 1 1 336.396 0.981 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000183764470 235219470 /nfs/dbraw/zinc/21/94/70/235219470.db2.gz RRXOQBAKCOVNBA-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000183764470 235219473 /nfs/dbraw/zinc/21/94/73/235219473.db2.gz RRXOQBAKCOVNBA-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000183764470 235219475 /nfs/dbraw/zinc/21/94/75/235219475.db2.gz RRXOQBAKCOVNBA-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CN1CC[NH+](C)CC1 ZINC000184403428 235389356 /nfs/dbraw/zinc/38/93/56/235389356.db2.gz NSFHBONQGGNWRT-GFCCVEGCSA-N 1 1 335.408 0.790 20 5 ECBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155693113 206027394 /nfs/dbraw/zinc/02/73/94/206027394.db2.gz JQKQVJWRLITIBM-YPMHNXCESA-N 1 1 326.353 0.427 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000266500211 248332704 /nfs/dbraw/zinc/33/27/04/248332704.db2.gz RXMZCDFKGTWPRG-GXSJLCMTSA-N 1 1 325.369 0.544 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000266500211 248332705 /nfs/dbraw/zinc/33/27/05/248332705.db2.gz RXMZCDFKGTWPRG-GXSJLCMTSA-N 1 1 325.369 0.544 20 5 ECBDMO Nc1nc(N)nc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451549685 211396200 /nfs/dbraw/zinc/39/62/00/211396200.db2.gz QCROHQQKWBFYGN-NSHDSACASA-N 1 1 329.364 0.985 20 5 ECBDMO Nc1nc(N)nc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451549685 211396205 /nfs/dbraw/zinc/39/62/05/211396205.db2.gz QCROHQQKWBFYGN-NSHDSACASA-N 1 1 329.364 0.985 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000444179603 211056455 /nfs/dbraw/zinc/05/64/55/211056455.db2.gz ZRVHYTXHWMBMAZ-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000444179603 211056459 /nfs/dbraw/zinc/05/64/59/211056459.db2.gz ZRVHYTXHWMBMAZ-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000174635795 207040585 /nfs/dbraw/zinc/04/05/85/207040585.db2.gz FXZFZOJUUNSXKQ-NEPJUHHUSA-N 1 1 325.369 0.095 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494462446 254979303 /nfs/dbraw/zinc/97/93/03/254979303.db2.gz BFODIGDDKZYGQS-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000261718689 165231770 /nfs/dbraw/zinc/23/17/70/165231770.db2.gz LGRWWAJIYSEKNQ-GFCCVEGCSA-N 1 1 333.352 0.088 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000270525507 263247783 /nfs/dbraw/zinc/24/77/83/263247783.db2.gz BOSDURMSWYUCDJ-MRXNPFEDSA-N 1 1 346.391 0.365 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000275671522 263632270 /nfs/dbraw/zinc/63/22/70/263632270.db2.gz OLUXYZBXTVZVER-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000275671522 263632272 /nfs/dbraw/zinc/63/22/72/263632272.db2.gz OLUXYZBXTVZVER-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO CN(C(=O)CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000284830698 264244247 /nfs/dbraw/zinc/24/42/47/264244247.db2.gz MQLGHGURUVWBKB-HZPDHXFCSA-N 1 1 348.403 0.963 20 5 ECBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285495557 264317955 /nfs/dbraw/zinc/31/79/55/264317955.db2.gz PREDUQMWFNRZCG-GFCCVEGCSA-N 1 1 336.396 0.560 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C ZINC000294636007 265010688 /nfs/dbraw/zinc/01/06/88/265010688.db2.gz LRDAZIBUVPFTDQ-ZYHUDNBSSA-N 1 1 325.369 0.013 20 5 ECBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295696158 265076124 /nfs/dbraw/zinc/07/61/24/265076124.db2.gz MABHCRNDMMYKSZ-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295696158 265076126 /nfs/dbraw/zinc/07/61/26/265076126.db2.gz MABHCRNDMMYKSZ-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000296938650 265125513 /nfs/dbraw/zinc/12/55/13/265125513.db2.gz BNYHQDQZXSDHSK-UHFFFAOYSA-N 1 1 330.348 0.998 20 5 ECBDMO C[C@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298298351 265235766 /nfs/dbraw/zinc/23/57/66/265235766.db2.gz AUIJMXLEIJVDRQ-SECBINFHSA-N 1 1 329.378 0.678 20 5 ECBDMO CC(C)NC(=O)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000248003494 275966229 /nfs/dbraw/zinc/96/62/29/275966229.db2.gz OOAABQDXFXIWDP-UHFFFAOYSA-N 1 1 336.392 0.847 20 5 ECBDMO COC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000337464811 297190143 /nfs/dbraw/zinc/19/01/43/297190143.db2.gz SPOJJLLOMTUOJL-ZKYQVNSYSA-N 1 1 326.353 0.283 20 5 ECBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337955122 297228383 /nfs/dbraw/zinc/22/83/83/297228383.db2.gz WXJCYAOIXQDVBR-CYBMUJFWSA-N 1 1 337.380 0.595 20 5 ECBDMO COC[C@H](C(N)=O)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000339366232 297344053 /nfs/dbraw/zinc/34/40/53/297344053.db2.gz MMQLDQFSGCRRGM-CYBMUJFWSA-N 1 1 338.364 0.664 20 5 ECBDMO COC[C@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000339366232 297344054 /nfs/dbraw/zinc/34/40/54/297344054.db2.gz MMQLDQFSGCRRGM-CYBMUJFWSA-N 1 1 338.364 0.664 20 5 ECBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000340830946 297558041 /nfs/dbraw/zinc/55/80/41/297558041.db2.gz XODVJYBAMRIQCZ-UHFFFAOYSA-N 1 1 347.335 0.325 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(=O)N(C)C ZINC000345155313 298122836 /nfs/dbraw/zinc/12/28/36/298122836.db2.gz WVLOSFQERBZZEQ-UHFFFAOYSA-N 1 1 338.364 0.952 20 5 ECBDMO C[NH+](C)CCN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000345524324 298167195 /nfs/dbraw/zinc/16/71/95/298167195.db2.gz FZUJKCIYOAFHFA-JTQLQIEISA-N 1 1 344.393 0.114 20 5 ECBDMO C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000346279079 298249278 /nfs/dbraw/zinc/24/92/78/298249278.db2.gz UVIAXKPRQRAMRO-SECBINFHSA-N 1 1 329.378 0.678 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000074105954 436105536 /nfs/dbraw/zinc/10/55/36/436105536.db2.gz YDIBRKCVENEQDJ-LLVKDONJSA-N 1 1 325.369 0.327 20 5 ECBDMO NS(=O)(=O)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000015206614 436080022 /nfs/dbraw/zinc/08/00/22/436080022.db2.gz SPGOISWFWXZIIH-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO Cc1ccnc(NC(=O)C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075716398 436171466 /nfs/dbraw/zinc/17/14/66/436171466.db2.gz LBAQFZIEMKGNBA-ZDUSSCGKSA-N 1 1 348.363 0.426 20 5 ECBDMO Cc1ccnc(NC(=O)C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075716398 436171470 /nfs/dbraw/zinc/17/14/70/436171470.db2.gz LBAQFZIEMKGNBA-ZDUSSCGKSA-N 1 1 348.363 0.426 20 5 ECBDMO CC(C)C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000043285738 436330051 /nfs/dbraw/zinc/33/00/51/436330051.db2.gz DVVXKALOAFUFTN-CYBMUJFWSA-N 1 1 339.396 0.654 20 5 ECBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522630 436433545 /nfs/dbraw/zinc/43/35/45/436433545.db2.gz KJQVCFMSEKWZII-ZDUSSCGKSA-N 1 1 336.392 0.995 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000047975058 436434008 /nfs/dbraw/zinc/43/40/08/436434008.db2.gz GAXRUAQZXQGLNH-OAHLLOKOSA-N 1 1 346.387 0.973 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052672860 436515020 /nfs/dbraw/zinc/51/50/20/436515020.db2.gz XGALOYHJNBXITP-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052672860 436515023 /nfs/dbraw/zinc/51/50/23/436515023.db2.gz XGALOYHJNBXITP-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131732 436484186 /nfs/dbraw/zinc/48/41/86/436484186.db2.gz XJKRYXLXDJTHGS-ZDUSSCGKSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131732 436484191 /nfs/dbraw/zinc/48/41/91/436484191.db2.gz XJKRYXLXDJTHGS-ZDUSSCGKSA-N 1 1 336.348 0.418 20 5 ECBDMO C[N@H+]1CCC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108461973 436619780 /nfs/dbraw/zinc/61/97/80/436619780.db2.gz DJDKLRGBHXZWOM-GFCCVEGCSA-N 1 1 334.376 0.783 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633613 302060626 /nfs/dbraw/zinc/06/06/26/302060626.db2.gz JTYZYBZQWMTQCW-LLVKDONJSA-N 1 1 335.364 0.307 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000533634913 302100651 /nfs/dbraw/zinc/10/06/51/302100651.db2.gz XQFVGQVZEPIWTF-SNVBAGLBSA-N 1 1 331.398 0.431 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000061650329 436638788 /nfs/dbraw/zinc/63/87/88/436638788.db2.gz VEOGUHKYVRHELM-QWHCGFSZSA-N 1 1 335.360 0.953 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000063662708 436644450 /nfs/dbraw/zinc/64/44/50/436644450.db2.gz ZFMRNMOZCPWTMN-AWEZNQCLSA-N 1 1 337.380 0.505 20 5 ECBDMO CCc1nn(C)c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000271402854 436686064 /nfs/dbraw/zinc/68/60/64/436686064.db2.gz OALZMQPFEIQHDF-UHFFFAOYSA-N 1 1 338.412 0.491 20 5 ECBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(S(C)(=O)=O)CC1 ZINC000121578549 436719048 /nfs/dbraw/zinc/71/90/48/436719048.db2.gz NYDMGANFPBWTQS-UHFFFAOYSA-N 1 1 331.398 0.147 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152698647 436738476 /nfs/dbraw/zinc/73/84/76/436738476.db2.gz OHJYGFPAWNUNOX-HNNXBMFYSA-N 1 1 346.387 0.973 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000068370110 436742256 /nfs/dbraw/zinc/74/22/56/436742256.db2.gz RMWWMQQYIGYWGZ-LBPRGKRZSA-N 1 1 336.348 0.882 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000155292605 436793326 /nfs/dbraw/zinc/79/33/26/436793326.db2.gz GISSRHOWUQLURF-ZDUSSCGKSA-N 1 1 325.365 0.793 20 5 ECBDMO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247476999 436794132 /nfs/dbraw/zinc/79/41/32/436794132.db2.gz JUOAJSSLBRCTNV-GWCFXTLKSA-N 1 1 346.409 0.050 20 5 ECBDMO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247476999 436794135 /nfs/dbraw/zinc/79/41/35/436794135.db2.gz JUOAJSSLBRCTNV-GWCFXTLKSA-N 1 1 346.409 0.050 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249563827 436824555 /nfs/dbraw/zinc/82/45/55/436824555.db2.gz MMJATIIIHAEAIK-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249563827 436824559 /nfs/dbraw/zinc/82/45/59/436824559.db2.gz MMJATIIIHAEAIK-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000274421465 436825479 /nfs/dbraw/zinc/82/54/79/436825479.db2.gz IGNCRVYWARHUOU-UHFFFAOYSA-N 1 1 338.364 0.272 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280623778 436908545 /nfs/dbraw/zinc/90/85/45/436908545.db2.gz TVBNQPCUUCDADZ-UHFFFAOYSA-N 1 1 325.365 0.976 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000281388274 436966113 /nfs/dbraw/zinc/96/61/13/436966113.db2.gz PNWHMVSDTYSOGE-RISCZKNCSA-N 1 1 348.359 0.988 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000281388274 436966115 /nfs/dbraw/zinc/96/61/15/436966115.db2.gz PNWHMVSDTYSOGE-RISCZKNCSA-N 1 1 348.359 0.988 20 5 ECBDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280891548 436930324 /nfs/dbraw/zinc/93/03/24/436930324.db2.gz DDAGLQDUCYLTDO-UHFFFAOYSA-N 1 1 328.394 0.613 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000264454745 437032103 /nfs/dbraw/zinc/03/21/03/437032103.db2.gz DEMZMGCSNQBWRL-NSHDSACASA-N 1 1 338.320 0.954 20 5 ECBDMO C[N@@H+](CC(=O)Nc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173486344 437053306 /nfs/dbraw/zinc/05/33/06/437053306.db2.gz BASGFHJCUMMTTF-CQSZACIVSA-N 1 1 333.348 0.723 20 5 ECBDMO C[N@H+](CC(=O)Nc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173486344 437053310 /nfs/dbraw/zinc/05/33/10/437053310.db2.gz BASGFHJCUMMTTF-CQSZACIVSA-N 1 1 333.348 0.723 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264691224 437066176 /nfs/dbraw/zinc/06/61/76/437066176.db2.gz RAMYJPIXZWZSPC-GFCCVEGCSA-N 1 1 334.376 0.783 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2ncn(C[C@@H](O)C[NH+]3CCOCC3)n2)c1 ZINC000174797877 437087969 /nfs/dbraw/zinc/08/79/69/437087969.db2.gz IFFFZUXHVCZLLV-AWEZNQCLSA-N 1 1 333.348 0.546 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276376643 437094681 /nfs/dbraw/zinc/09/46/81/437094681.db2.gz PIMDBCOQIDSUKG-CYBMUJFWSA-N 1 1 335.364 0.247 20 5 ECBDMO Cn1cc(C[C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505077 437158435 /nfs/dbraw/zinc/15/84/35/437158435.db2.gz GWCMHXAAROSWIU-WFASDCNBSA-N 1 1 334.380 0.450 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000326760690 437235635 /nfs/dbraw/zinc/23/56/35/437235635.db2.gz NUFDMLVORDUAPC-AWEZNQCLSA-N 1 1 335.364 0.792 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000179403635 437264268 /nfs/dbraw/zinc/26/42/68/437264268.db2.gz QFFAHLYIRHKPGB-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958166 437270731 /nfs/dbraw/zinc/27/07/31/437270731.db2.gz VYNPXNIRRSWGAM-CMPLNLGQSA-N 1 1 344.393 0.133 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000278970488 437361461 /nfs/dbraw/zinc/36/14/61/437361461.db2.gz CIPASPFLGOPPER-JTQLQIEISA-N 1 1 337.380 0.952 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000338960248 437428494 /nfs/dbraw/zinc/42/84/94/437428494.db2.gz BSELIHIYJYXQEF-LBPRGKRZSA-N 1 1 334.376 0.912 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000338960246 437429089 /nfs/dbraw/zinc/42/90/89/437429089.db2.gz BSELIHIYJYXQEF-GFCCVEGCSA-N 1 1 334.376 0.912 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000185644732 437446736 /nfs/dbraw/zinc/44/67/36/437446736.db2.gz XDEZCOUMRROCRL-NSHDSACASA-N 1 1 337.380 0.539 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330446704 437513720 /nfs/dbraw/zinc/51/37/20/437513720.db2.gz FMVWJUSOUVLKBY-SNVBAGLBSA-N 1 1 331.398 0.574 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330446704 437513723 /nfs/dbraw/zinc/51/37/23/437513723.db2.gz FMVWJUSOUVLKBY-SNVBAGLBSA-N 1 1 331.398 0.574 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000193248230 437705245 /nfs/dbraw/zinc/70/52/45/437705245.db2.gz DTCSKBZJZUBHAI-QMMMGPOBSA-N 1 1 333.341 0.725 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000347233901 437856989 /nfs/dbraw/zinc/85/69/89/437856989.db2.gz OSTBYQHHOWHRSI-GFCCVEGCSA-N 1 1 339.396 0.442 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(n3ncc4c3CNC4)CC2)c1 ZINC000424294364 437920044 /nfs/dbraw/zinc/92/00/44/437920044.db2.gz QBEBDUDMOUFJIK-UHFFFAOYSA-N 1 1 331.380 0.928 20 5 ECBDMO COC[C@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000357268137 437951568 /nfs/dbraw/zinc/95/15/68/437951568.db2.gz KGWYBPHXHKZXDR-OAHLLOKOSA-N 1 1 333.348 0.970 20 5 ECBDMO Cc1sc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000342502317 438021277 /nfs/dbraw/zinc/02/12/77/438021277.db2.gz GAZJMJBBHNHZPG-NSHDSACASA-N 1 1 335.407 0.310 20 5 ECBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000343011279 438102885 /nfs/dbraw/zinc/10/28/85/438102885.db2.gz ZYCLQZZUCLNRSY-VIFPVBQESA-N 1 1 343.361 0.348 20 5 ECBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000343011279 438102888 /nfs/dbraw/zinc/10/28/88/438102888.db2.gz ZYCLQZZUCLNRSY-VIFPVBQESA-N 1 1 343.361 0.348 20 5 ECBDMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000366609829 438103091 /nfs/dbraw/zinc/10/30/91/438103091.db2.gz QFPTVUJRAWTUJO-UHFFFAOYSA-N 1 1 336.392 0.857 20 5 ECBDMO CNC(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000366609829 438103095 /nfs/dbraw/zinc/10/30/95/438103095.db2.gz QFPTVUJRAWTUJO-UHFFFAOYSA-N 1 1 336.392 0.857 20 5 ECBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531285 438070993 /nfs/dbraw/zinc/07/09/93/438070993.db2.gz MEMMHOHRPMMBFN-BZPMIXESSA-N 1 1 337.376 0.920 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358066067 438139773 /nfs/dbraw/zinc/13/97/73/438139773.db2.gz MAGUMZHCQGOSRO-AWEZNQCLSA-N 1 1 345.302 0.993 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000431445297 438158716 /nfs/dbraw/zinc/15/87/16/438158716.db2.gz MMABWHXSOBNXQM-UHFFFAOYSA-N 1 1 347.379 0.700 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367511697 438216634 /nfs/dbraw/zinc/21/66/34/438216634.db2.gz CYSGYYNJINWYDM-NSHDSACASA-N 1 1 331.398 0.320 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367511697 438216639 /nfs/dbraw/zinc/21/66/39/438216639.db2.gz CYSGYYNJINWYDM-NSHDSACASA-N 1 1 331.398 0.320 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000387647769 438423514 /nfs/dbraw/zinc/42/35/14/438423514.db2.gz CWSPSFPGQMUMKC-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])n1 ZINC000420767760 438438390 /nfs/dbraw/zinc/43/83/90/438438390.db2.gz NQCGZUTVCHVDBT-JTQLQIEISA-N 1 1 331.398 0.526 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405296878 438468044 /nfs/dbraw/zinc/46/80/44/438468044.db2.gz HHXBZHMYXSSTDO-WDEREUQCSA-N 1 1 327.362 0.034 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405296878 438468047 /nfs/dbraw/zinc/46/80/47/438468047.db2.gz HHXBZHMYXSSTDO-WDEREUQCSA-N 1 1 327.362 0.034 20 5 ECBDMO CCn1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000407989870 438478974 /nfs/dbraw/zinc/47/89/74/438478974.db2.gz IUJSAUQWOOIGRN-GHMZBOCLSA-N 1 1 343.409 0.668 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369473497 438479275 /nfs/dbraw/zinc/47/92/75/438479275.db2.gz WSRZZEWUJKWPEV-CYBMUJFWSA-N 1 1 348.359 0.942 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369473497 438479278 /nfs/dbraw/zinc/47/92/78/438479278.db2.gz WSRZZEWUJKWPEV-CYBMUJFWSA-N 1 1 348.359 0.942 20 5 ECBDMO C[C@H]1OCC[C@]12C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000369290013 438450238 /nfs/dbraw/zinc/45/02/38/438450238.db2.gz HOMLHLDXTMADSS-UXOAXIEHSA-N 1 1 340.380 0.421 20 5 ECBDMO C[C@@H](O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979431 438455770 /nfs/dbraw/zinc/45/57/70/438455770.db2.gz YTXVETGJMOSEGH-LLVKDONJSA-N 1 1 331.394 0.576 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369358233 438459619 /nfs/dbraw/zinc/45/96/19/438459619.db2.gz KOUCUZYNBZKDBD-CYBMUJFWSA-N 1 1 336.396 0.030 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000451869020 438610394 /nfs/dbraw/zinc/61/03/94/438610394.db2.gz MQULFOZJHPOURF-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451869020 438610396 /nfs/dbraw/zinc/61/03/96/438610396.db2.gz MQULFOZJHPOURF-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451633283 438702866 /nfs/dbraw/zinc/70/28/66/438702866.db2.gz MATJFIRDTPIDHL-GARJFASQSA-N 1 1 346.343 0.435 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451633283 438702870 /nfs/dbraw/zinc/70/28/70/438702870.db2.gz MATJFIRDTPIDHL-GARJFASQSA-N 1 1 346.343 0.435 20 5 ECBDMO Nc1nccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000548059135 438721975 /nfs/dbraw/zinc/72/19/75/438721975.db2.gz KJNJLKAITAQJAZ-LLVKDONJSA-N 1 1 335.364 0.366 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457121685 438795532 /nfs/dbraw/zinc/79/55/32/438795532.db2.gz LZUUSDAHETUDLF-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457121685 438795535 /nfs/dbraw/zinc/79/55/35/438795535.db2.gz LZUUSDAHETUDLF-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+](C)CCNC(C)=O)cc1[N+](=O)[O-] ZINC000564991147 438901062 /nfs/dbraw/zinc/90/10/62/438901062.db2.gz WYMBQTOASLINSG-UHFFFAOYSA-N 1 1 339.348 0.715 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](C)CCNC(C)=O)cc1[N+](=O)[O-] ZINC000564991147 438901069 /nfs/dbraw/zinc/90/10/69/438901069.db2.gz WYMBQTOASLINSG-UHFFFAOYSA-N 1 1 339.348 0.715 20 5 ECBDMO O=C1CCCN1C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827314 438868286 /nfs/dbraw/zinc/86/82/86/438868286.db2.gz BQNNYGBFZJXTIH-CYBMUJFWSA-N 1 1 334.376 0.701 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000590447560 438925586 /nfs/dbraw/zinc/92/55/86/438925586.db2.gz YUZOVHOGOBOMBH-ZFWWWQNUSA-N 1 1 346.387 0.877 20 5 ECBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459601119 438978916 /nfs/dbraw/zinc/97/89/16/438978916.db2.gz WBWTZKGGOTXRNG-UHFFFAOYSA-N 1 1 334.376 0.988 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596817901 439004684 /nfs/dbraw/zinc/00/46/84/439004684.db2.gz UZSICVVEYXPLNY-LBPRGKRZSA-N 1 1 335.364 0.475 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)C1 ZINC000591459468 439016015 /nfs/dbraw/zinc/01/60/15/439016015.db2.gz RJWRZKDNVYITSC-CYBMUJFWSA-N 1 1 347.419 0.910 20 5 ECBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000591457397 439016476 /nfs/dbraw/zinc/01/64/76/439016476.db2.gz DGWBVYDKGUHTSW-LBPRGKRZSA-N 1 1 334.376 0.995 20 5 ECBDMO COc1cc(OC[C@@H](O)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000520236032 439076579 /nfs/dbraw/zinc/07/65/79/439076579.db2.gz JYXLVPYSGKOXHQ-LBPRGKRZSA-N 1 1 325.365 0.591 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000602822452 439138925 /nfs/dbraw/zinc/13/89/25/439138925.db2.gz FUTFMOFMJOMCCI-GFCCVEGCSA-N 1 1 330.410 0.999 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000602822452 439138931 /nfs/dbraw/zinc/13/89/31/439138931.db2.gz FUTFMOFMJOMCCI-GFCCVEGCSA-N 1 1 330.410 0.999 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)n1 ZINC000597694203 439161680 /nfs/dbraw/zinc/16/16/80/439161680.db2.gz JUFFXHZZUGLBNF-YPMHNXCESA-N 1 1 337.380 0.746 20 5 ECBDMO C[C@@H]1C[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000598000475 439210684 /nfs/dbraw/zinc/21/06/84/439210684.db2.gz VCRBUQMABCKNQG-VXGBXAGGSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)CO1 ZINC000598000475 439210691 /nfs/dbraw/zinc/21/06/91/439210691.db2.gz VCRBUQMABCKNQG-VXGBXAGGSA-N 1 1 325.369 0.407 20 5 ECBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000592388471 439218282 /nfs/dbraw/zinc/21/82/82/439218282.db2.gz IZXFEQKATVURKG-NSHDSACASA-N 1 1 343.361 0.120 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603595203 439274721 /nfs/dbraw/zinc/27/47/21/439274721.db2.gz OKFRSKPXTZBYTA-LBPRGKRZSA-N 1 1 335.364 0.390 20 5 ECBDMO O=[N+]([O-])c1c(N[C@@H]2CC[N@H+](C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587867 439283418 /nfs/dbraw/zinc/28/34/18/439283418.db2.gz FUEGZLGSKVSFOT-LLVKDONJSA-N 1 1 334.380 0.870 20 5 ECBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@H]1C ZINC000489447165 439229346 /nfs/dbraw/zinc/22/93/46/439229346.db2.gz KBSGIBGMUKZFTG-UBHSHLNASA-N 1 1 328.369 0.278 20 5 ECBDMO O=C(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878609 439258942 /nfs/dbraw/zinc/25/89/42/439258942.db2.gz SINDLFOWYHRZDJ-QWHCGFSZSA-N 1 1 336.396 0.296 20 5 ECBDMO Nc1nc(NCC[NH+]2CCN(c3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000603848709 439286005 /nfs/dbraw/zinc/28/60/05/439286005.db2.gz GCPSNUGCVYJHGK-UHFFFAOYSA-N 1 1 343.391 0.623 20 5 ECBDMO NS(=O)(=O)c1c(NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000603928796 439294320 /nfs/dbraw/zinc/29/43/20/439294320.db2.gz XOXKIGJGAKUACV-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599107372 439360478 /nfs/dbraw/zinc/36/04/78/439360478.db2.gz NRLOWHJLYFNSPQ-LLVKDONJSA-N 1 1 329.378 0.424 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCC2CC[NH+](C)CC2)n1 ZINC000599230158 439393889 /nfs/dbraw/zinc/39/38/89/439393889.db2.gz YEWSAZWRFAFXDQ-UHFFFAOYSA-N 1 1 331.398 0.339 20 5 ECBDMO COC1CC[NH+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593559461 439405740 /nfs/dbraw/zinc/40/57/40/439405740.db2.gz OWYWLVZVKPVJJM-UHFFFAOYSA-N 1 1 344.393 0.379 20 5 ECBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599262557 439406612 /nfs/dbraw/zinc/40/66/12/439406612.db2.gz HZOJYDPVWRUUQE-UHFFFAOYSA-N 1 1 342.381 0.544 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)n1 ZINC000570800694 439451935 /nfs/dbraw/zinc/45/19/35/439451935.db2.gz XWKHOPMAATZCJT-GFCCVEGCSA-N 1 1 330.348 0.993 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)c1[N+](=O)[O-] ZINC000593916183 439495048 /nfs/dbraw/zinc/49/50/48/439495048.db2.gz FRCLJMKCQZINDR-MWLCHTKSSA-N 1 1 325.369 0.706 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599623680 439521792 /nfs/dbraw/zinc/52/17/92/439521792.db2.gz VMSMCZPLSSLXSY-UHFFFAOYSA-N 1 1 334.376 0.765 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599623680 439521796 /nfs/dbraw/zinc/52/17/96/439521796.db2.gz VMSMCZPLSSLXSY-UHFFFAOYSA-N 1 1 334.376 0.765 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393361 439554489 /nfs/dbraw/zinc/55/44/89/439554489.db2.gz LDQJFMFPVBRTNT-WDEREUQCSA-N 1 1 331.332 0.362 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393361 439554494 /nfs/dbraw/zinc/55/44/94/439554494.db2.gz LDQJFMFPVBRTNT-WDEREUQCSA-N 1 1 331.332 0.362 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393361 439554499 /nfs/dbraw/zinc/55/44/99/439554499.db2.gz LDQJFMFPVBRTNT-WDEREUQCSA-N 1 1 331.332 0.362 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600006671 439593149 /nfs/dbraw/zinc/59/31/49/439593149.db2.gz BJJLKOYKGCREJR-UHFFFAOYSA-N 1 1 337.380 0.505 20 5 ECBDMO Cc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610754854 439644428 /nfs/dbraw/zinc/64/44/28/439644428.db2.gz PSSUYAKHDMHNEJ-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600469403 439665868 /nfs/dbraw/zinc/66/58/68/439665868.db2.gz APCQNAPIANBFFF-ZDUSSCGKSA-N 1 1 334.376 0.890 20 5 ECBDMO CC[N@H+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084667 439671476 /nfs/dbraw/zinc/67/14/76/439671476.db2.gz IDTHXKCPAWNJCQ-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO COC(=O)COc1ccc(CNC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600775191 439700741 /nfs/dbraw/zinc/70/07/41/439700741.db2.gz LOHANYFCAGFNAE-LBPRGKRZSA-N 1 1 339.348 0.225 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1C[N@H+](C)CCO1 ZINC000611512840 439702613 /nfs/dbraw/zinc/70/26/13/439702613.db2.gz NMUOLKLPDYUVCK-TVQRCGJNSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000611512840 439702616 /nfs/dbraw/zinc/70/26/16/439702616.db2.gz NMUOLKLPDYUVCK-TVQRCGJNSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1C[N@H+](C)CCO1 ZINC000611512838 439702897 /nfs/dbraw/zinc/70/28/97/439702897.db2.gz NMUOLKLPDYUVCK-NOZJJQNGSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000611512838 439702901 /nfs/dbraw/zinc/70/29/01/439702901.db2.gz NMUOLKLPDYUVCK-NOZJJQNGSA-N 1 1 337.332 0.772 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000600808686 439703977 /nfs/dbraw/zinc/70/39/77/439703977.db2.gz PBXYLMZMPWMNMH-ZDUSSCGKSA-N 1 1 337.376 0.855 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600805918 439704751 /nfs/dbraw/zinc/70/47/51/439704751.db2.gz CIKVGMIHSIVFDI-AWEZNQCLSA-N 1 1 345.359 0.577 20 5 ECBDMO Cn1ccnc1[C@@H]([NH2+]CCc1nnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560832 439707174 /nfs/dbraw/zinc/70/71/74/439707174.db2.gz KVJWFGSYAFTRDG-AWEZNQCLSA-N 1 1 342.363 0.774 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611165879 439676366 /nfs/dbraw/zinc/67/63/66/439676366.db2.gz FEVHZMHZSHIGAM-UHFFFAOYSA-N 1 1 325.369 0.015 20 5 ECBDMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(CO)CO ZINC000611272299 439687578 /nfs/dbraw/zinc/68/75/78/439687578.db2.gz XMQAODAZNIOZHU-UHFFFAOYSA-N 1 1 326.349 0.789 20 5 ECBDMO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)(CO)CO ZINC000611272299 439687583 /nfs/dbraw/zinc/68/75/83/439687583.db2.gz XMQAODAZNIOZHU-UHFFFAOYSA-N 1 1 326.349 0.789 20 5 ECBDMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000288616681 320655888 /nfs/dbraw/zinc/65/58/88/320655888.db2.gz RDPIYTAIVJBIGT-WCBMZHEXSA-N 1 1 330.362 0.832 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342373005 321087430 /nfs/dbraw/zinc/08/74/30/321087430.db2.gz VSJIBZWCMWPLDY-NWDGAFQWSA-N 1 1 338.364 0.338 20 5 ECBDMO COc1cc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2C)c([N+](=O)[O-])cc1O ZINC000342421289 321091144 /nfs/dbraw/zinc/09/11/44/321091144.db2.gz RDPIYTAIVJBIGT-PSASIEDQSA-N 1 1 330.362 0.832 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887553 322047472 /nfs/dbraw/zinc/04/74/72/322047472.db2.gz HEXRWRXNDZRVOV-AWEZNQCLSA-N 1 1 349.391 0.662 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888448 322047555 /nfs/dbraw/zinc/04/75/55/322047555.db2.gz QDZGQXGLQQAHGT-CYBMUJFWSA-N 1 1 335.408 0.993 20 5 ECBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)N1CCNCC1 ZINC000571431233 322721393 /nfs/dbraw/zinc/72/13/93/322721393.db2.gz KCWUICWPEWQXTK-LBPRGKRZSA-N 1 1 349.391 0.333 20 5 ECBDMO O=C(CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCNCC1 ZINC000572524497 322746324 /nfs/dbraw/zinc/74/63/24/322746324.db2.gz UCQHUQRMKIWWQU-UHFFFAOYSA-N 1 1 336.396 0.250 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000184337856 528551873 /nfs/dbraw/zinc/55/18/73/528551873.db2.gz NRCBKHPASQMUGI-UHFFFAOYSA-N 1 1 335.357 0.326 20 5 ECBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000266305700 535264979 /nfs/dbraw/zinc/26/49/79/535264979.db2.gz MFJOYJFPLXLQTE-CYBMUJFWSA-N 1 1 336.392 0.947 20 5 ECBDMO CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531581 578143022 /nfs/dbraw/zinc/14/30/22/578143022.db2.gz LXCUHJQPSKKFCD-WCQYABFASA-N 1 1 337.380 0.506 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000728078121 578287327 /nfs/dbraw/zinc/28/73/27/578287327.db2.gz TYDVDPJECQNHRD-LBPRGKRZSA-N 1 1 349.391 0.494 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)c([N+](=O)[O-])c1 ZINC000781997712 578718257 /nfs/dbraw/zinc/71/82/57/578718257.db2.gz AEWJCXSWJAQWFS-UHFFFAOYSA-N 1 1 334.332 0.768 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380298 578853049 /nfs/dbraw/zinc/85/30/49/578853049.db2.gz XONOQVVWEKDBAE-DOMZBBRYSA-N 1 1 334.332 0.302 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593218 579285487 /nfs/dbraw/zinc/28/54/87/579285487.db2.gz ROJKAAJIRCDZJY-STQMWFEESA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593218 579285488 /nfs/dbraw/zinc/28/54/88/579285488.db2.gz ROJKAAJIRCDZJY-STQMWFEESA-N 1 1 329.378 0.381 20 5 ECBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1CCO ZINC000777834339 579303374 /nfs/dbraw/zinc/30/33/74/579303374.db2.gz ZIEWDZQHYBFSPU-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1CCO ZINC000777834339 579303376 /nfs/dbraw/zinc/30/33/76/579303376.db2.gz ZIEWDZQHYBFSPU-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000762721804 579547031 /nfs/dbraw/zinc/54/70/31/579547031.db2.gz OCKRFVGCPMETNS-KRWDZBQOSA-N 1 1 348.403 0.991 20 5 ECBDMO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000742198070 579781812 /nfs/dbraw/zinc/78/18/12/579781812.db2.gz FIXNYCNIMFXWOM-LLVKDONJSA-N 1 1 348.359 0.483 20 5 ECBDMO C[C@@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000742198070 579781813 /nfs/dbraw/zinc/78/18/13/579781813.db2.gz FIXNYCNIMFXWOM-LLVKDONJSA-N 1 1 348.359 0.483 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CN(C)CCN1C ZINC000896568997 586254901 /nfs/dbraw/zinc/25/49/01/586254901.db2.gz QYZZTXHPPOOONS-DGCLKSJQSA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896568997 586254905 /nfs/dbraw/zinc/25/49/05/586254905.db2.gz QYZZTXHPPOOONS-DGCLKSJQSA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896568997 586254907 /nfs/dbraw/zinc/25/49/07/586254907.db2.gz QYZZTXHPPOOONS-DGCLKSJQSA-N 1 1 338.412 0.240 20 5 ECBDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000898255034 586410785 /nfs/dbraw/zinc/41/07/85/586410785.db2.gz JFAGBKGPWDEHLP-UHFFFAOYSA-N 1 1 338.364 0.409 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899943277 586514668 /nfs/dbraw/zinc/51/46/68/586514668.db2.gz ZTMGSAODNGTGQQ-NVXWUHKLSA-N 1 1 348.403 0.699 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000900221409 586532920 /nfs/dbraw/zinc/53/29/20/586532920.db2.gz PIPZIANFHOXJKK-NVXWUHKLSA-N 1 1 348.403 0.699 20 5 ECBDMO CN1CC[N@@H+](C)CC(C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000907138927 587017481 /nfs/dbraw/zinc/01/74/81/587017481.db2.gz FPYGJCDJROKJHG-UHFFFAOYSA-N 1 1 332.404 0.973 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000808227192 587150552 /nfs/dbraw/zinc/15/05/52/587150552.db2.gz MDDYYPWHABRKGK-LBPRGKRZSA-N 1 1 347.375 0.992 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000808227192 587150553 /nfs/dbraw/zinc/15/05/53/587150553.db2.gz MDDYYPWHABRKGK-LBPRGKRZSA-N 1 1 347.375 0.992 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000817370351 587339973 /nfs/dbraw/zinc/33/99/73/587339973.db2.gz JRTQOEUMCDJFRY-LBPRGKRZSA-N 1 1 330.348 0.879 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000819144945 587470142 /nfs/dbraw/zinc/47/01/42/587470142.db2.gz BZUQZYJSVPEMOY-HNNXBMFYSA-N 1 1 343.347 0.523 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821332096 587585900 /nfs/dbraw/zinc/58/59/00/587585900.db2.gz KOVPTFJEADPLEC-OKILXGFUSA-N 1 1 332.360 0.604 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000821595089 587604052 /nfs/dbraw/zinc/60/40/52/587604052.db2.gz MIOFLOQXYNICLZ-LLVKDONJSA-N 1 1 334.336 0.609 20 5 ECBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994404 587847518 /nfs/dbraw/zinc/84/75/18/587847518.db2.gz RXSHLZCJMHZSNP-NSHDSACASA-N 1 1 336.396 0.934 20 5 ECBDMO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCN2CC3)c(-c2nn[nH]n2)c1 ZINC000826498692 588064270 /nfs/dbraw/zinc/06/42/70/588064270.db2.gz FQNLONSYDSKVHY-LLVKDONJSA-N 1 1 330.352 0.187 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cs1 ZINC000831810446 588451303 /nfs/dbraw/zinc/45/13/03/588451303.db2.gz PSWRTZILWFXBJS-JTQLQIEISA-N 1 1 349.434 0.781 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cs1 ZINC000831810446 588451305 /nfs/dbraw/zinc/45/13/05/588451305.db2.gz PSWRTZILWFXBJS-JTQLQIEISA-N 1 1 349.434 0.781 20 5 ECBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000858628371 589761247 /nfs/dbraw/zinc/76/12/47/589761247.db2.gz MQFPFASUJFXBAC-SECBINFHSA-N 1 1 349.796 0.823 20 5 ECBDMO C[C@@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)N1CC[NH2+]CC1=O ZINC000863658596 590029337 /nfs/dbraw/zinc/02/93/37/590029337.db2.gz RGDKABMHYPBXIH-QMMMGPOBSA-N 1 1 332.320 0.720 20 5 ECBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000931883127 611581301 /nfs/dbraw/zinc/58/13/01/611581301.db2.gz RFRZKUYTQCXGIY-HNNXBMFYSA-N 1 1 346.387 0.906 20 5 ECBDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000931883127 611581303 /nfs/dbraw/zinc/58/13/03/611581303.db2.gz RFRZKUYTQCXGIY-HNNXBMFYSA-N 1 1 346.387 0.906 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000932714444 611658416 /nfs/dbraw/zinc/65/84/16/611658416.db2.gz IEAJRWIEOSHJMM-GFCCVEGCSA-N 1 1 338.412 0.099 20 5 ECBDMO COC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000176286600 608792912 /nfs/dbraw/zinc/79/29/12/608792912.db2.gz DUXGQINLNYQYOX-UHFFFAOYSA-N 1 1 326.353 0.835 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928094690 611673842 /nfs/dbraw/zinc/67/38/42/611673842.db2.gz BWTVOOTVNOIAAB-ONGXEEELSA-N 1 1 325.394 0.638 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928094690 611673844 /nfs/dbraw/zinc/67/38/44/611673844.db2.gz BWTVOOTVNOIAAB-ONGXEEELSA-N 1 1 325.394 0.638 20 5 ECBDMO CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941406900 610721932 /nfs/dbraw/zinc/72/19/32/610721932.db2.gz IIFTZOJKJISYAO-HZPDHXFCSA-N 1 1 338.452 0.916 20 5 ECBDMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981972180 751386311 /nfs/dbraw/zinc/38/63/11/751386311.db2.gz PUXFZLIPZQOPME-UHFFFAOYSA-N 1 1 332.360 0.505 20 5 ECBDMO CN(C)c1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775416 739943543 /nfs/dbraw/zinc/94/35/43/739943543.db2.gz YMVNYBJAVLHKCQ-WDTWZTHCSA-N 1 1 344.415 0.964 20 5 ECBDMO CN(C)c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775416 739943545 /nfs/dbraw/zinc/94/35/45/739943545.db2.gz YMVNYBJAVLHKCQ-WDTWZTHCSA-N 1 1 344.415 0.964 20 5 ECBDMO CN(C)c1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775416 739943547 /nfs/dbraw/zinc/94/35/47/739943547.db2.gz YMVNYBJAVLHKCQ-WDTWZTHCSA-N 1 1 344.415 0.964 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1cnon1 ZINC001026115883 740387033 /nfs/dbraw/zinc/38/70/33/740387033.db2.gz BVJXZVQUNDOXRV-YABSGUDNSA-N 1 1 329.316 0.838 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1cnon1 ZINC001026115883 740387036 /nfs/dbraw/zinc/38/70/36/740387036.db2.gz BVJXZVQUNDOXRV-YABSGUDNSA-N 1 1 329.316 0.838 20 5 ECBDMO Cn1cc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)nn1 ZINC000982278689 751851553 /nfs/dbraw/zinc/85/15/53/751851553.db2.gz OTTOMQDOZDGPOR-XOUADPBQSA-N 1 1 348.407 0.151 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059350893 746166472 /nfs/dbraw/zinc/16/64/72/746166472.db2.gz DYBBJWFQGSUXRG-MGCOHNPYSA-N 1 1 346.351 0.231 20 5 ECBDMO CN(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936245 756744265 /nfs/dbraw/zinc/74/42/65/756744265.db2.gz CLZZJMBIWBFRHN-ZIAGYGMSSA-N 1 1 334.376 0.016 20 5 ECBDMO Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1C ZINC001126943419 756909691 /nfs/dbraw/zinc/90/96/91/756909691.db2.gz OKSKXTHZCGMMIB-TZMCWYRMSA-N 1 1 334.376 0.613 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cncc(F)c3)C[C@@H]2C1 ZINC001048814408 757083369 /nfs/dbraw/zinc/08/33/69/757083369.db2.gz KAAAVDMGSSIJBF-AYRXBEOTSA-N 1 1 334.351 0.776 20 5 ECBDMO Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428771 757654439 /nfs/dbraw/zinc/65/44/39/757654439.db2.gz HGKWCEFIOFLEIC-GHMZBOCLSA-N 1 1 325.394 0.592 20 5 ECBDMO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC001022063771 758226327 /nfs/dbraw/zinc/22/63/27/758226327.db2.gz MDCHROIEOAQJLM-JZSSXWJLSA-N 1 1 326.378 0.554 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]CCn2cc(Cl)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139536 772206015 /nfs/dbraw/zinc/20/60/15/772206015.db2.gz DMIORBANPJHPFV-DDHJBXDOSA-N 1 1 327.772 0.439 20 5 ECBDMO Cn1c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc2ccccc21 ZINC001020139358 772206159 /nfs/dbraw/zinc/20/61/59/772206159.db2.gz YZVQLSCOEYQPRT-RTWAVKEYSA-N 1 1 343.387 0.975 20 5 ECBDMO CCN(C(=O)C1([NH+](C)C)CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079942405 777119108 /nfs/dbraw/zinc/11/91/08/777119108.db2.gz GNEBOXLCUPHUKK-CHWSQXEVSA-N 1 1 338.408 0.195 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CCC2CC2)CC1 ZINC001070963182 784242224 /nfs/dbraw/zinc/24/22/24/784242224.db2.gz FRRVEPCWQITJRW-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CCC2CC2)CC1 ZINC001070963182 784242230 /nfs/dbraw/zinc/24/22/30/784242230.db2.gz FRRVEPCWQITJRW-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CCC2CC2)CC1 ZINC001070963182 784242234 /nfs/dbraw/zinc/24/22/34/784242234.db2.gz FRRVEPCWQITJRW-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO NC(=O)NCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001266905023 836463086 /nfs/dbraw/zinc/46/30/86/836463086.db2.gz WQISFKFZDHJTKT-NHAGDIPZSA-N 1 1 347.375 0.200 20 5 ECBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccc(C(=O)NC)c1 ZINC001267241201 837048934 /nfs/dbraw/zinc/04/89/34/837048934.db2.gz NUQRKAVQPMUJFO-HUUCEWRRSA-N 1 1 348.403 0.650 20 5 ECBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(C(=O)NC)c1 ZINC001267241201 837048945 /nfs/dbraw/zinc/04/89/45/837048945.db2.gz NUQRKAVQPMUJFO-HUUCEWRRSA-N 1 1 348.403 0.650 20 5 ECBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1cccc(C(=O)NC)c1 ZINC001267241201 837048957 /nfs/dbraw/zinc/04/89/57/837048957.db2.gz NUQRKAVQPMUJFO-HUUCEWRRSA-N 1 1 348.403 0.650 20 5 ECBDMO CC[N@H+](CCNC(=O)c1c[nH]c(=O)cn1)Cc1ccccc1[N+](=O)[O-] ZINC001267248917 837066817 /nfs/dbraw/zinc/06/68/17/837066817.db2.gz JXQCBRVPCRABQW-UHFFFAOYSA-N 1 1 345.359 0.930 20 5 ECBDMO CC[N@@H+](CCNC(=O)c1c[nH]c(=O)cn1)Cc1ccccc1[N+](=O)[O-] ZINC001267248917 837066825 /nfs/dbraw/zinc/06/68/25/837066825.db2.gz JXQCBRVPCRABQW-UHFFFAOYSA-N 1 1 345.359 0.930 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(F)(F)C[NH3+] ZINC000427134332 210182175 /nfs/dbraw/zinc/18/21/75/210182175.db2.gz AMUQKCPZDCXZMW-MRVPVSSYSA-N 1 1 334.327 0.537 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)n1 ZINC000355376391 299245700 /nfs/dbraw/zinc/24/57/00/299245700.db2.gz XQFBIJIUTIZSNP-WCQYABFASA-N 1 1 337.380 0.746 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552786 299271874 /nfs/dbraw/zinc/27/18/74/299271874.db2.gz KIMUINOCXNPABD-RYUDHWBXSA-N 1 1 339.396 0.691 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552786 299271876 /nfs/dbraw/zinc/27/18/76/299271876.db2.gz KIMUINOCXNPABD-RYUDHWBXSA-N 1 1 339.396 0.691 20 5 ECBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000189420457 236886244 /nfs/dbraw/zinc/88/62/44/236886244.db2.gz PXLVZOOGGAZXSF-UHFFFAOYSA-N 1 1 338.320 0.955 20 5 ECBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000189420457 236886251 /nfs/dbraw/zinc/88/62/51/236886251.db2.gz PXLVZOOGGAZXSF-UHFFFAOYSA-N 1 1 338.320 0.955 20 5 ECBDMO COCCC[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189879991 237352303 /nfs/dbraw/zinc/35/23/03/237352303.db2.gz QMSYINLKCKXVHX-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO COCCC[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189879991 237352314 /nfs/dbraw/zinc/35/23/14/237352314.db2.gz QMSYINLKCKXVHX-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO COCC[N@@H+](Cc1cncs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447833182 211211064 /nfs/dbraw/zinc/21/10/64/211211064.db2.gz NSPNYUOMDXRRDC-GFCCVEGCSA-N 1 1 341.393 0.757 20 5 ECBDMO COCC[N@H+](Cc1cncs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447833182 211211070 /nfs/dbraw/zinc/21/10/70/211211070.db2.gz NSPNYUOMDXRRDC-GFCCVEGCSA-N 1 1 341.393 0.757 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412091919 208202876 /nfs/dbraw/zinc/20/28/76/208202876.db2.gz MRPBYBJBJFSIBI-CQSZACIVSA-N 1 1 341.412 0.195 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000496513757 255106756 /nfs/dbraw/zinc/10/67/56/255106756.db2.gz PIXOQKZCQGEHOI-LLVKDONJSA-N 1 1 348.359 0.968 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000357691608 299615397 /nfs/dbraw/zinc/61/53/97/299615397.db2.gz QEQDIOKJPUDCEH-LBPRGKRZSA-N 1 1 338.364 0.669 20 5 ECBDMO C[C@](O)(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080928206 296626695 /nfs/dbraw/zinc/62/66/95/296626695.db2.gz SYQBKZNFZMXVDQ-PFWMLDTASA-N 1 1 349.387 0.807 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000193248219 286185312 /nfs/dbraw/zinc/18/53/12/286185312.db2.gz DTCSKBZJZUBHAI-MRVPVSSYSA-N 1 1 333.341 0.725 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245469295 165106493 /nfs/dbraw/zinc/10/64/93/165106493.db2.gz UXJZLYNSLGEATH-OCCSQVGLSA-N 1 1 349.391 0.723 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245469295 165106495 /nfs/dbraw/zinc/10/64/95/165106495.db2.gz UXJZLYNSLGEATH-OCCSQVGLSA-N 1 1 349.391 0.723 20 5 ECBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261965611 165271184 /nfs/dbraw/zinc/27/11/84/165271184.db2.gz MTKRMAFGLMLEIJ-AWEZNQCLSA-N 1 1 345.359 0.973 20 5 ECBDMO COc1cc(CCNC(=O)[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000262619496 165369009 /nfs/dbraw/zinc/36/90/09/165369009.db2.gz MVQVMXZHMFXMTR-NSHDSACASA-N 1 1 339.348 0.259 20 5 ECBDMO CCCC[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272975267 263383853 /nfs/dbraw/zinc/38/38/53/263383853.db2.gz CENWBOPAEMMDFK-LBPRGKRZSA-N 1 1 325.365 0.922 20 5 ECBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274331994 263459121 /nfs/dbraw/zinc/45/91/21/263459121.db2.gz RGDWBTYVPUEQHX-AEGPPILISA-N 1 1 340.376 0.806 20 5 ECBDMO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274331994 263459124 /nfs/dbraw/zinc/45/91/24/263459124.db2.gz RGDWBTYVPUEQHX-AEGPPILISA-N 1 1 340.376 0.806 20 5 ECBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000282527772 264050433 /nfs/dbraw/zinc/05/04/33/264050433.db2.gz QEIHRIQWPWAKLO-GFCCVEGCSA-N 1 1 336.348 0.226 20 5 ECBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC(=O)N(C)C1=O ZINC000282527772 264050435 /nfs/dbraw/zinc/05/04/35/264050435.db2.gz QEIHRIQWPWAKLO-GFCCVEGCSA-N 1 1 336.348 0.226 20 5 ECBDMO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000420602625 274360508 /nfs/dbraw/zinc/36/05/08/274360508.db2.gz BODKOWKMTDVESO-LLVKDONJSA-N 1 1 336.392 0.975 20 5 ECBDMO NS(=O)(=O)c1cccc(N[C@@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489946184 274954624 /nfs/dbraw/zinc/95/46/24/274954624.db2.gz LNBULDPYIZIUBW-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)[C@H]1CCCSC1 ZINC000433189794 280394699 /nfs/dbraw/zinc/39/46/99/280394699.db2.gz DQNPIMVBCWDUFQ-ZDUSSCGKSA-N 1 1 327.406 0.946 20 5 ECBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354398340 437606549 /nfs/dbraw/zinc/60/65/49/437606549.db2.gz GIBZSODEWFVDGX-NSHDSACASA-N 1 1 336.396 0.328 20 5 ECBDMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262739539 288319839 /nfs/dbraw/zinc/31/98/39/288319839.db2.gz IPBGZTSODINGJD-SECBINFHSA-N 1 1 343.361 0.348 20 5 ECBDMO COC(=O)c1ccc(OCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000340550151 297509948 /nfs/dbraw/zinc/50/99/48/297509948.db2.gz UQVNJBPFPDVSTA-UHFFFAOYSA-N 1 1 337.332 0.534 20 5 ECBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[NH2+]1 ZINC000341289329 297622671 /nfs/dbraw/zinc/62/26/71/297622671.db2.gz QBUBNMJDKGIQLV-LBPRGKRZSA-N 1 1 327.344 0.920 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177904 298233221 /nfs/dbraw/zinc/23/32/21/298233221.db2.gz AKOKSKAZLIZSTK-YPMHNXCESA-N 1 1 348.363 0.902 20 5 ECBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351515512 298772988 /nfs/dbraw/zinc/77/29/88/298772988.db2.gz GDGGSBVDPCMMNI-UHFFFAOYSA-N 1 1 335.295 0.994 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000361773995 300123948 /nfs/dbraw/zinc/12/39/48/300123948.db2.gz JWHQLKFEEGGNMQ-OWCLPIDISA-N 1 1 332.404 0.757 20 5 ECBDMO COC(=O)C[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000362269854 300178692 /nfs/dbraw/zinc/17/86/92/300178692.db2.gz KVYUJNLQKVGKTG-OAHLLOKOSA-N 1 1 337.332 0.506 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000186967099 300243556 /nfs/dbraw/zinc/24/35/56/300243556.db2.gz YNWLLLFDGAPJPQ-LBPRGKRZSA-N 1 1 339.396 0.485 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000364628102 300373873 /nfs/dbraw/zinc/37/38/73/300373873.db2.gz ITTPLUHKQDNUPY-UHFFFAOYSA-N 1 1 337.380 0.505 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000364656575 300376158 /nfs/dbraw/zinc/37/61/58/300376158.db2.gz ALBNEFXJNIYUQZ-ZGKBOVNRSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364656575 300376161 /nfs/dbraw/zinc/37/61/61/300376161.db2.gz ALBNEFXJNIYUQZ-ZGKBOVNRSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364656575 300376164 /nfs/dbraw/zinc/37/61/64/300376164.db2.gz ALBNEFXJNIYUQZ-ZGKBOVNRSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000364656572 300376338 /nfs/dbraw/zinc/37/63/38/300376338.db2.gz ALBNEFXJNIYUQZ-CYUUQNCZSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364656572 300376340 /nfs/dbraw/zinc/37/63/40/300376340.db2.gz ALBNEFXJNIYUQZ-CYUUQNCZSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364656572 300376341 /nfs/dbraw/zinc/37/63/41/300376341.db2.gz ALBNEFXJNIYUQZ-CYUUQNCZSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000074356766 436123069 /nfs/dbraw/zinc/12/30/69/436123069.db2.gz NQBDSNJOXRESQO-UHFFFAOYSA-N 1 1 339.377 0.873 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000372720705 301022323 /nfs/dbraw/zinc/02/23/23/301022323.db2.gz AYAGJDPBGRAWBW-LSDHHAIUSA-N 1 1 334.376 0.848 20 5 ECBDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375623767 301192555 /nfs/dbraw/zinc/19/25/55/301192555.db2.gz LGOVLQFIIZPKOQ-LLVKDONJSA-N 1 1 331.398 0.147 20 5 ECBDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375623767 301192556 /nfs/dbraw/zinc/19/25/56/301192556.db2.gz LGOVLQFIIZPKOQ-LLVKDONJSA-N 1 1 331.398 0.147 20 5 ECBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731538 301203476 /nfs/dbraw/zinc/20/34/76/301203476.db2.gz OCBMBVMVRGSIOC-GZBFAFLISA-N 1 1 342.396 0.841 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375870335 301217299 /nfs/dbraw/zinc/21/72/99/301217299.db2.gz JZCUDUZPVWDYAX-CQSZACIVSA-N 1 1 348.359 0.942 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375870335 301217302 /nfs/dbraw/zinc/21/73/02/301217302.db2.gz JZCUDUZPVWDYAX-CQSZACIVSA-N 1 1 348.359 0.942 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000376805511 301294321 /nfs/dbraw/zinc/29/43/21/301294321.db2.gz VWPCVDLAYHKRSW-UHFFFAOYSA-N 1 1 325.369 0.513 20 5 ECBDMO CC(C)n1nc2c(cc1=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000377966595 301396703 /nfs/dbraw/zinc/39/67/03/301396703.db2.gz QRAGMXGAVREGOU-UHFFFAOYSA-N 1 1 332.364 0.987 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000079905943 436308802 /nfs/dbraw/zinc/30/88/02/436308802.db2.gz SOWXSZVNQHGCIB-UHFFFAOYSA-N 1 1 333.392 0.980 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051131737 436484603 /nfs/dbraw/zinc/48/46/03/436484603.db2.gz SHOFSLKUMMFFSQ-CYBMUJFWSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051131737 436484605 /nfs/dbraw/zinc/48/46/05/436484605.db2.gz SHOFSLKUMMFFSQ-CYBMUJFWSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051131733 436484759 /nfs/dbraw/zinc/48/47/59/436484759.db2.gz XJKRYXLXDJTHGS-CYBMUJFWSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC000051131733 436484762 /nfs/dbraw/zinc/48/47/62/436484762.db2.gz XJKRYXLXDJTHGS-CYBMUJFWSA-N 1 1 336.348 0.418 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000106401228 436594626 /nfs/dbraw/zinc/59/46/26/436594626.db2.gz DWABNURNPZJDPS-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548944253 302335018 /nfs/dbraw/zinc/33/50/18/302335018.db2.gz MOEMQRVONKKWLV-LBPRGKRZSA-N 1 1 336.396 0.560 20 5 ECBDMO C[NH+](C)C1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000272107265 436704545 /nfs/dbraw/zinc/70/45/45/436704545.db2.gz MQYVXVREEBOPHY-UHFFFAOYSA-N 1 1 343.361 0.301 20 5 ECBDMO C[N@@H+](CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000067282716 436709778 /nfs/dbraw/zinc/70/97/78/436709778.db2.gz XWGFTFRSSRONQR-UHFFFAOYSA-N 1 1 348.359 0.531 20 5 ECBDMO NC(=O)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000273215401 436739026 /nfs/dbraw/zinc/73/90/26/436739026.db2.gz XQCLQXUPVBVFPD-GFCCVEGCSA-N 1 1 340.311 0.249 20 5 ECBDMO NC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000273215401 436739029 /nfs/dbraw/zinc/73/90/29/436739029.db2.gz XQCLQXUPVBVFPD-GFCCVEGCSA-N 1 1 340.311 0.249 20 5 ECBDMO Cn1nncc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273498559 436758953 /nfs/dbraw/zinc/75/89/53/436758953.db2.gz OSQSJZXSVGTLMM-UHFFFAOYSA-N 1 1 325.350 0.287 20 5 ECBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248998192 436813502 /nfs/dbraw/zinc/81/35/02/436813502.db2.gz NAOWBGZNFVCCSX-TZMCWYRMSA-N 1 1 325.369 0.143 20 5 ECBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248998192 436813506 /nfs/dbraw/zinc/81/35/06/436813506.db2.gz NAOWBGZNFVCCSX-TZMCWYRMSA-N 1 1 325.369 0.143 20 5 ECBDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274332002 436817012 /nfs/dbraw/zinc/81/70/12/436817012.db2.gz RGDWBTYVPUEQHX-NWANDNLSSA-N 1 1 340.376 0.806 20 5 ECBDMO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274332002 436817015 /nfs/dbraw/zinc/81/70/15/436817015.db2.gz RGDWBTYVPUEQHX-NWANDNLSSA-N 1 1 340.376 0.806 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154328132 436775680 /nfs/dbraw/zinc/77/56/80/436775680.db2.gz OPKVIDSBBWXLES-YPMHNXCESA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154328132 436775683 /nfs/dbraw/zinc/77/56/83/436775683.db2.gz OPKVIDSBBWXLES-YPMHNXCESA-N 1 1 329.378 0.252 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000274531627 436839344 /nfs/dbraw/zinc/83/93/44/436839344.db2.gz ISKSUGGEVVGBCU-UHFFFAOYSA-N 1 1 341.364 0.656 20 5 ECBDMO C[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000274650771 436854622 /nfs/dbraw/zinc/85/46/22/436854622.db2.gz FAFWRYLMVFVULV-UHFFFAOYSA-N 1 1 334.376 0.877 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000135535813 436919018 /nfs/dbraw/zinc/91/90/18/436919018.db2.gz WLKXVEGLVRZANR-AGIUHOORSA-N 1 1 328.394 0.359 20 5 ECBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000274866318 436883866 /nfs/dbraw/zinc/88/38/66/436883866.db2.gz JIRGYJSXHRJGOC-CYBMUJFWSA-N 1 1 346.343 0.476 20 5 ECBDMO C[NH2+][C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262037481 436902445 /nfs/dbraw/zinc/90/24/45/436902445.db2.gz FWNAFZDLQOBZOM-CQSZACIVSA-N 1 1 332.364 0.817 20 5 ECBDMO Cc1nocc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000293732218 436904694 /nfs/dbraw/zinc/90/46/94/436904694.db2.gz ZKXLXVIDTCMHHT-UHFFFAOYSA-N 1 1 340.361 0.959 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](C)N1CC[NH+](C)CC1 ZINC000171265000 436974807 /nfs/dbraw/zinc/97/48/07/436974807.db2.gz KWONVFJAHSKXJP-LBPRGKRZSA-N 1 1 336.392 0.856 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000275535635 436980980 /nfs/dbraw/zinc/98/09/80/436980980.db2.gz KZNKXJGOBYHVPK-AWEZNQCLSA-N 1 1 340.376 0.808 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000275196304 436938664 /nfs/dbraw/zinc/93/86/64/436938664.db2.gz GQWBCUHKDXGJLF-QWRGUYRKSA-N 1 1 325.369 0.013 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000281077600 436945168 /nfs/dbraw/zinc/94/51/68/436945168.db2.gz LCVZBJCTXASXGY-KRWDZBQOSA-N 1 1 346.387 0.942 20 5 ECBDMO C[N@H+]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000263740434 436982757 /nfs/dbraw/zinc/98/27/57/436982757.db2.gz GRBVYZDQMSQFBH-UHFFFAOYSA-N 1 1 336.348 0.900 20 5 ECBDMO CC[N@@H+](CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000263763055 436984913 /nfs/dbraw/zinc/98/49/13/436984913.db2.gz RMGIADYOHLWDSK-UHFFFAOYSA-N 1 1 334.376 0.925 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275729615 437006475 /nfs/dbraw/zinc/00/64/75/437006475.db2.gz XKUMBFQMDFHCKW-LLVKDONJSA-N 1 1 329.378 0.594 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275729615 437006479 /nfs/dbraw/zinc/00/64/79/437006479.db2.gz XKUMBFQMDFHCKW-LLVKDONJSA-N 1 1 329.378 0.594 20 5 ECBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000297504635 437009634 /nfs/dbraw/zinc/00/96/34/437009634.db2.gz VGRYCAAPJHJMFS-GFCCVEGCSA-N 1 1 343.384 0.609 20 5 ECBDMO COCC[N@H+]1CC[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264627352 437056109 /nfs/dbraw/zinc/05/61/09/437056109.db2.gz SWBZGVKEBQYBAD-JTQLQIEISA-N 1 1 344.393 0.375 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCC2)CC1 ZINC000265029592 437102997 /nfs/dbraw/zinc/10/29/97/437102997.db2.gz ZUDJSNHAGMHKGG-UHFFFAOYSA-N 1 1 340.405 0.917 20 5 ECBDMO NC(=O)[C@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000276464517 437109788 /nfs/dbraw/zinc/10/97/88/437109788.db2.gz PDNMHOJYPWBJGA-AWEZNQCLSA-N 1 1 333.304 0.067 20 5 ECBDMO NC(=O)[C@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000276464517 437109791 /nfs/dbraw/zinc/10/97/91/437109791.db2.gz PDNMHOJYPWBJGA-AWEZNQCLSA-N 1 1 333.304 0.067 20 5 ECBDMO O=C([C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287617379 437212319 /nfs/dbraw/zinc/21/23/19/437212319.db2.gz ZPEDHKFJGJECBL-TZMCWYRMSA-N 1 1 337.380 0.097 20 5 ECBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267085687 437286691 /nfs/dbraw/zinc/28/66/91/437286691.db2.gz OKFFMEIOCXYVMU-NSHDSACASA-N 1 1 331.398 0.053 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000278937417 437358307 /nfs/dbraw/zinc/35/83/07/437358307.db2.gz XATUDOXKWICLLN-LBPRGKRZSA-N 1 1 337.380 0.503 20 5 ECBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186625254 437478438 /nfs/dbraw/zinc/47/84/38/437478438.db2.gz LDSSRKCTZZKVAM-CQSZACIVSA-N 1 1 332.360 0.631 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c([N+](=O)[O-])n1 ZINC000330458002 437517825 /nfs/dbraw/zinc/51/78/25/437517825.db2.gz REDNQDTUJUZTFS-NSHDSACASA-N 1 1 345.425 0.916 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000188729640 437568932 /nfs/dbraw/zinc/56/89/32/437568932.db2.gz SMWHNAMLBMITBK-NSHDSACASA-N 1 1 325.369 0.015 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000188729640 437568939 /nfs/dbraw/zinc/56/89/39/437568939.db2.gz SMWHNAMLBMITBK-NSHDSACASA-N 1 1 325.369 0.015 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190833196 437640082 /nfs/dbraw/zinc/64/00/82/437640082.db2.gz RHIWPVHMRSPVHV-NWDGAFQWSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190833196 437640087 /nfs/dbraw/zinc/64/00/87/437640087.db2.gz RHIWPVHMRSPVHV-NWDGAFQWSA-N 1 1 325.365 0.905 20 5 ECBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)CO ZINC000292267353 437676957 /nfs/dbraw/zinc/67/69/57/437676957.db2.gz RWFOSBNZFUNFMH-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H](C)CO ZINC000292267353 437676963 /nfs/dbraw/zinc/67/69/63/437676963.db2.gz RWFOSBNZFUNFMH-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO NS(=O)(=O)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000362446359 437738440 /nfs/dbraw/zinc/73/84/40/437738440.db2.gz CXWCOKRYLHNCOJ-UHFFFAOYSA-N 1 1 344.393 0.185 20 5 ECBDMO NS(=O)(=O)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000362446359 437738443 /nfs/dbraw/zinc/73/84/43/437738443.db2.gz CXWCOKRYLHNCOJ-UHFFFAOYSA-N 1 1 344.393 0.185 20 5 ECBDMO CN(C)c1ncc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000356196558 437753815 /nfs/dbraw/zinc/75/38/15/437753815.db2.gz BXKZPBQAIQSYDJ-ZDUSSCGKSA-N 1 1 335.368 0.140 20 5 ECBDMO CN(C(=O)CN1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000370750448 437830264 /nfs/dbraw/zinc/83/02/64/437830264.db2.gz QYIHYOUCGJXFRH-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000347171016 437845846 /nfs/dbraw/zinc/84/58/46/437845846.db2.gz UKSFNGHZJLFUGY-LBPRGKRZSA-N 1 1 325.369 0.408 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002706 437866419 /nfs/dbraw/zinc/86/64/19/437866419.db2.gz BZGIGQXCPPPOCS-UONOGXRCSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002706 437866425 /nfs/dbraw/zinc/86/64/25/437866425.db2.gz BZGIGQXCPPPOCS-UONOGXRCSA-N 1 1 348.359 0.597 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347525193 437903419 /nfs/dbraw/zinc/90/34/19/437903419.db2.gz PHDKMWYXNLXWKC-LBPRGKRZSA-N 1 1 338.412 0.332 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416303199 437912694 /nfs/dbraw/zinc/91/26/94/437912694.db2.gz XMKYGAYSTNITGO-MNOVXSKESA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416303199 437912700 /nfs/dbraw/zinc/91/27/00/437912700.db2.gz XMKYGAYSTNITGO-MNOVXSKESA-N 1 1 325.369 0.013 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429385 438071976 /nfs/dbraw/zinc/07/19/76/438071976.db2.gz FOQGRZRTPLHYOW-ICCXJUOJSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429385 438071980 /nfs/dbraw/zinc/07/19/80/438071980.db2.gz FOQGRZRTPLHYOW-ICCXJUOJSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429387 438072127 /nfs/dbraw/zinc/07/21/27/438072127.db2.gz FOQGRZRTPLHYOW-OASPWFOLSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429387 438072131 /nfs/dbraw/zinc/07/21/31/438072131.db2.gz FOQGRZRTPLHYOW-OASPWFOLSA-N 1 1 346.343 0.516 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690394 438107833 /nfs/dbraw/zinc/10/78/33/438107833.db2.gz DJNBTTLVERIQRD-SNVBAGLBSA-N 1 1 325.369 0.409 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690394 438107835 /nfs/dbraw/zinc/10/78/35/438107835.db2.gz DJNBTTLVERIQRD-SNVBAGLBSA-N 1 1 325.369 0.409 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690394 438107836 /nfs/dbraw/zinc/10/78/36/438107836.db2.gz DJNBTTLVERIQRD-SNVBAGLBSA-N 1 1 325.369 0.409 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000358208917 438183420 /nfs/dbraw/zinc/18/34/20/438183420.db2.gz GVUNFLVJIHBXMC-ZDUSSCGKSA-N 1 1 329.378 0.081 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358216872 438184275 /nfs/dbraw/zinc/18/42/75/438184275.db2.gz UJPKLLATFXERRE-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358215240 438184688 /nfs/dbraw/zinc/18/46/88/438184688.db2.gz RQZVCHBBJWAZBA-ZDUSSCGKSA-N 1 1 329.378 0.081 20 5 ECBDMO Cc1c(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358095733 438151837 /nfs/dbraw/zinc/15/18/37/438151837.db2.gz QOKQZAKRDFEKJV-HNNXBMFYSA-N 1 1 336.348 0.025 20 5 ECBDMO COCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433195872 438229445 /nfs/dbraw/zinc/22/94/45/438229445.db2.gz ZFWVHGHVEHGYTI-GXTWGEPZSA-N 1 1 344.437 0.996 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000351567585 438290598 /nfs/dbraw/zinc/29/05/98/438290598.db2.gz KBBRSGHPUUKYHO-UHFFFAOYSA-N 1 1 331.398 0.526 20 5 ECBDMO Cn1c(=O)cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1=O ZINC000375390269 438251513 /nfs/dbraw/zinc/25/15/13/438251513.db2.gz IMHAOLDGGFEJRV-NSHDSACASA-N 1 1 348.363 0.026 20 5 ECBDMO Cn1c(=O)cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1=O ZINC000375390269 438251516 /nfs/dbraw/zinc/25/15/16/438251516.db2.gz IMHAOLDGGFEJRV-NSHDSACASA-N 1 1 348.363 0.026 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000368622223 438356995 /nfs/dbraw/zinc/35/69/95/438356995.db2.gz LYEMSZSDQLBYPA-LBPRGKRZSA-N 1 1 349.391 0.756 20 5 ECBDMO O=C(C[N@@H+](CCO)CC1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000352491963 438430096 /nfs/dbraw/zinc/43/00/96/438430096.db2.gz UDFDWWDNRGEMDI-UHFFFAOYSA-N 1 1 337.332 0.966 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369442141 438474480 /nfs/dbraw/zinc/47/44/80/438474480.db2.gz XGSLYFKVSRUYOV-ZDUSSCGKSA-N 1 1 334.332 0.552 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369442141 438474485 /nfs/dbraw/zinc/47/44/85/438474485.db2.gz XGSLYFKVSRUYOV-ZDUSSCGKSA-N 1 1 334.332 0.552 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089958 438516224 /nfs/dbraw/zinc/51/62/24/438516224.db2.gz VCHKRZDMVCNGHB-GWCFXTLKSA-N 1 1 346.343 0.295 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089958 438516227 /nfs/dbraw/zinc/51/62/27/438516227.db2.gz VCHKRZDMVCNGHB-GWCFXTLKSA-N 1 1 346.343 0.295 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000494721461 438706302 /nfs/dbraw/zinc/70/63/02/438706302.db2.gz MCOITIVGVHGMJJ-CYBMUJFWSA-N 1 1 343.405 0.987 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452391082 438659289 /nfs/dbraw/zinc/65/92/89/438659289.db2.gz PLEPUTGUMUVFJT-AWEZNQCLSA-N 1 1 337.376 0.937 20 5 ECBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)[N@H+]1C ZINC000555220528 438774213 /nfs/dbraw/zinc/77/42/13/438774213.db2.gz XYUDQTCEDRVUQL-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[C@@H]1CN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H](C)[N@@H+]1C ZINC000555220528 438774215 /nfs/dbraw/zinc/77/42/15/438774215.db2.gz XYUDQTCEDRVUQL-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000601253528 438834279 /nfs/dbraw/zinc/83/42/79/438834279.db2.gz UQVQRVQMXVUKTF-NEPJUHHUSA-N 1 1 332.360 0.943 20 5 ECBDMO O=C1CCCN1C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833130 438868240 /nfs/dbraw/zinc/86/82/40/438868240.db2.gz RZQGDUWHLVFGTI-TZMCWYRMSA-N 1 1 337.380 0.097 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000589928944 438893681 /nfs/dbraw/zinc/89/36/81/438893681.db2.gz IAALWVZKOPTMLS-GWCFXTLKSA-N 1 1 341.389 0.928 20 5 ECBDMO NS(=O)(=O)c1cc(N[C@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000596091204 438924074 /nfs/dbraw/zinc/92/40/74/438924074.db2.gz YEPTUSNAXHMECO-VIFPVBQESA-N 1 1 326.378 0.891 20 5 ECBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232377 438944575 /nfs/dbraw/zinc/94/45/75/438944575.db2.gz QLUJNCGEIAISLG-YPMHNXCESA-N 1 1 334.376 0.993 20 5 ECBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232375 438944605 /nfs/dbraw/zinc/94/46/05/438944605.db2.gz QLUJNCGEIAISLG-WCQYABFASA-N 1 1 334.376 0.993 20 5 ECBDMO C[C@H]1CC[N@@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000519576504 439043158 /nfs/dbraw/zinc/04/31/58/439043158.db2.gz UZAPZWBGAYIRSA-LBPRGKRZSA-N 1 1 334.376 0.783 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)C1 ZINC000591459469 439016715 /nfs/dbraw/zinc/01/67/15/439016715.db2.gz RJWRZKDNVYITSC-ZDUSSCGKSA-N 1 1 347.419 0.910 20 5 ECBDMO C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2noc(C[NH3+])n2)C1=O ZINC000592464537 439234898 /nfs/dbraw/zinc/23/48/98/439234898.db2.gz XABCSCQOARPNSH-CQSZACIVSA-N 1 1 346.303 0.404 20 5 ECBDMO Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1[N+](=O)[O-] ZINC000598367408 439256455 /nfs/dbraw/zinc/25/64/55/439256455.db2.gz XNKNPLZZHDUHED-VXGBXAGGSA-N 1 1 349.391 1.000 20 5 ECBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599236909 439394927 /nfs/dbraw/zinc/39/49/27/439394927.db2.gz OWWIDYFDLPSERB-NSHDSACASA-N 1 1 345.425 0.871 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000593572542 439410546 /nfs/dbraw/zinc/41/05/46/439410546.db2.gz OQSWYNWGPZDSEK-PWSUYJOCSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000593572542 439410550 /nfs/dbraw/zinc/41/05/50/439410550.db2.gz OQSWYNWGPZDSEK-PWSUYJOCSA-N 1 1 326.378 0.705 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570818750 439452540 /nfs/dbraw/zinc/45/25/40/439452540.db2.gz AISMGVLCFHTOSM-UHFFFAOYSA-N 1 1 342.302 0.190 20 5 ECBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856135 439478395 /nfs/dbraw/zinc/47/83/95/439478395.db2.gz VRFBBEINMZSDQO-GFCCVEGCSA-N 1 1 330.344 0.967 20 5 ECBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856135 439478398 /nfs/dbraw/zinc/47/83/98/439478398.db2.gz VRFBBEINMZSDQO-GFCCVEGCSA-N 1 1 330.344 0.967 20 5 ECBDMO COc1ccc(NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594077919 439514741 /nfs/dbraw/zinc/51/47/41/439514741.db2.gz BSZMXBNZCZLERH-NWDGAFQWSA-N 1 1 336.348 0.886 20 5 ECBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000594847391 439629617 /nfs/dbraw/zinc/62/96/17/439629617.db2.gz QAUNDRZAVGMICE-UHFFFAOYSA-N 1 1 327.406 0.961 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000617405654 439878266 /nfs/dbraw/zinc/87/82/66/439878266.db2.gz JDUPFBNQNXESND-DGCLKSJQSA-N 1 1 337.380 0.482 20 5 ECBDMO O=C(NCC[NH+]1CCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000346429429 321219718 /nfs/dbraw/zinc/21/97/18/321219718.db2.gz YVHSEBWNEQLWES-UHFFFAOYSA-N 1 1 346.343 0.684 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188068 321268905 /nfs/dbraw/zinc/26/89/05/321268905.db2.gz JZBBCMBSVBFPSD-BONVTDFDSA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188068 321268906 /nfs/dbraw/zinc/26/89/06/321268906.db2.gz JZBBCMBSVBFPSD-BONVTDFDSA-N 1 1 336.348 0.152 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]CC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000353761686 321413164 /nfs/dbraw/zinc/41/31/64/321413164.db2.gz DLIQAGLWUQSEQO-UHFFFAOYSA-N 1 1 339.348 0.761 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C[C@H]2C1 ZINC000555498912 322181766 /nfs/dbraw/zinc/18/17/66/322181766.db2.gz XKGDHQASSKAQCW-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000556700064 322192520 /nfs/dbraw/zinc/19/25/20/322192520.db2.gz QVJHKFDWZBMNHS-GFCCVEGCSA-N 1 1 337.376 0.671 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000556700064 322192521 /nfs/dbraw/zinc/19/25/21/322192521.db2.gz QVJHKFDWZBMNHS-GFCCVEGCSA-N 1 1 337.376 0.671 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000183988912 528547426 /nfs/dbraw/zinc/54/74/26/528547426.db2.gz IUUSDILRFBMWMA-UHFFFAOYSA-N 1 1 347.375 0.825 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186844117 545898073 /nfs/dbraw/zinc/89/80/73/545898073.db2.gz DKXOUDWITCBTHN-ZDUSSCGKSA-N 1 1 342.421 0.750 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000749540335 579339284 /nfs/dbraw/zinc/33/92/84/579339284.db2.gz NQVVWKQEQQVBNJ-PWSUYJOCSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000749540335 579339285 /nfs/dbraw/zinc/33/92/85/579339285.db2.gz NQVVWKQEQQVBNJ-PWSUYJOCSA-N 1 1 338.412 0.990 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096525 579347509 /nfs/dbraw/zinc/34/75/09/579347509.db2.gz QBWQIYOYDQANNZ-CHWSQXEVSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096525 579347510 /nfs/dbraw/zinc/34/75/10/579347510.db2.gz QBWQIYOYDQANNZ-CHWSQXEVSA-N 1 1 329.378 0.381 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000750832358 579359262 /nfs/dbraw/zinc/35/92/62/579359262.db2.gz JAKLZCAFSGLHLQ-UHFFFAOYSA-N 1 1 348.403 0.966 20 5 ECBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC(O)C1 ZINC000759874839 579499847 /nfs/dbraw/zinc/49/98/47/579499847.db2.gz OBGBJERDXALKOY-UHFFFAOYSA-N 1 1 348.403 0.699 20 5 ECBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC(O)C1 ZINC000759874839 579499848 /nfs/dbraw/zinc/49/98/48/579499848.db2.gz OBGBJERDXALKOY-UHFFFAOYSA-N 1 1 348.403 0.699 20 5 ECBDMO NC(=O)C[N@@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782140759 578720847 /nfs/dbraw/zinc/72/08/47/578720847.db2.gz HDPVFIQWIHEAAA-UHFFFAOYSA-N 1 1 330.348 0.535 20 5 ECBDMO NC(=O)C[N@H+]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782140759 578720848 /nfs/dbraw/zinc/72/08/48/578720848.db2.gz HDPVFIQWIHEAAA-UHFFFAOYSA-N 1 1 330.348 0.535 20 5 ECBDMO Cc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c(N)c([N+](=O)[O-])c1 ZINC000774273340 579244899 /nfs/dbraw/zinc/24/48/99/579244899.db2.gz HHOYGAJGHAULOY-LBPRGKRZSA-N 1 1 333.392 0.605 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582792 579284802 /nfs/dbraw/zinc/28/48/02/579284802.db2.gz BZJNZPRQWPUNEZ-WCQYABFASA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582792 579284803 /nfs/dbraw/zinc/28/48/03/579284803.db2.gz BZJNZPRQWPUNEZ-WCQYABFASA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592390 579285484 /nfs/dbraw/zinc/28/54/84/579285484.db2.gz NPOSRCUYEIWULC-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592390 579285485 /nfs/dbraw/zinc/28/54/85/579285485.db2.gz NPOSRCUYEIWULC-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714747 579546671 /nfs/dbraw/zinc/54/66/71/579546671.db2.gz CWBMDXUNSWRRJL-ZBFHGGJFSA-N 1 1 348.359 0.271 20 5 ECBDMO Cc1c(Cc2noc(CN3CC[NH2+]CC3=O)n2)cccc1[N+](=O)[O-] ZINC000843191968 589053267 /nfs/dbraw/zinc/05/32/67/589053267.db2.gz POSIEDSPLQDSHW-UHFFFAOYSA-N 1 1 331.332 0.809 20 5 ECBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899058580 586466114 /nfs/dbraw/zinc/46/61/14/586466114.db2.gz SOEDJXPWGIMRAZ-UHFFFAOYSA-N 1 1 335.360 0.702 20 5 ECBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899058580 586466116 /nfs/dbraw/zinc/46/61/16/586466116.db2.gz SOEDJXPWGIMRAZ-UHFFFAOYSA-N 1 1 335.360 0.702 20 5 ECBDMO Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000903506455 586778506 /nfs/dbraw/zinc/77/85/06/586778506.db2.gz VCTXWEGMCUAUSZ-GASCZTMLSA-N 1 1 334.424 0.729 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000817370294 587340148 /nfs/dbraw/zinc/34/01/48/587340148.db2.gz JDLGQMDHXVIQLP-LBPRGKRZSA-N 1 1 347.375 0.862 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000817370294 587340151 /nfs/dbraw/zinc/34/01/51/587340151.db2.gz JDLGQMDHXVIQLP-LBPRGKRZSA-N 1 1 347.375 0.862 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848488462 589297400 /nfs/dbraw/zinc/29/74/00/589297400.db2.gz CATKMVUZYIEZLZ-ZFWWWQNUSA-N 1 1 346.387 0.936 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1COC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000861035336 589821014 /nfs/dbraw/zinc/82/10/14/589821014.db2.gz ZRTFEWVJPAONPC-LBPRGKRZSA-N 1 1 326.353 0.835 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000867811220 589846893 /nfs/dbraw/zinc/84/68/93/589846893.db2.gz AWUNUWBYCYMTFB-GHMZBOCLSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863327785 590005058 /nfs/dbraw/zinc/00/50/58/590005058.db2.gz VTUBKWXLMVVQCD-CQSZACIVSA-N 1 1 348.403 0.991 20 5 ECBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000883893022 590677873 /nfs/dbraw/zinc/67/78/73/590677873.db2.gz BLOKRYLYIMBOLO-CQSZACIVSA-N 1 1 348.407 0.916 20 5 ECBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000913538777 609687394 /nfs/dbraw/zinc/68/73/94/609687394.db2.gz OGSUAEKARUXKBQ-OKILXGFUSA-N 1 1 332.360 0.630 20 5 ECBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001164689834 719750369 /nfs/dbraw/zinc/75/03/69/719750369.db2.gz LGESHGBYEBCYLI-UHFFFAOYSA-N 1 1 348.407 0.874 20 5 ECBDMO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000015169225 732551269 /nfs/dbraw/zinc/55/12/69/732551269.db2.gz KXJSPTBQIAMNNG-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)n1 ZINC001026105601 740381738 /nfs/dbraw/zinc/38/17/38/740381738.db2.gz NNNKTSUKGGPNCB-NHAGDIPZSA-N 1 1 342.359 0.584 20 5 ECBDMO COc1nccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997772489 743801642 /nfs/dbraw/zinc/80/16/42/743801642.db2.gz NQQODVKVKJXKTN-ZIAGYGMSSA-N 1 1 349.391 0.479 20 5 ECBDMO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC000997772118 743801791 /nfs/dbraw/zinc/80/17/91/743801791.db2.gz LFFGIBXLGXRJOS-HUUCEWRRSA-N 1 1 335.408 0.722 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(Cl)cc1 ZINC001126939470 756808753 /nfs/dbraw/zinc/80/87/53/756808753.db2.gz ZZBJOLDIFOEUNZ-VXGBXAGGSA-N 1 1 340.767 0.650 20 5 ECBDMO Cc1ccc(CNC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC001126939404 756809226 /nfs/dbraw/zinc/80/92/26/756809226.db2.gz WVDWFFZJPSLOTD-VXGBXAGGSA-N 1 1 340.405 0.044 20 5 ECBDMO Cc1cnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048812113 757073100 /nfs/dbraw/zinc/07/31/00/757073100.db2.gz ASEKZSYYONDFBC-AYRXBEOTSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1cnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048812113 757073109 /nfs/dbraw/zinc/07/31/09/757073109.db2.gz ASEKZSYYONDFBC-AYRXBEOTSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1cnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048812113 757073118 /nfs/dbraw/zinc/07/31/18/757073118.db2.gz ASEKZSYYONDFBC-AYRXBEOTSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000996429213 757657744 /nfs/dbraw/zinc/65/77/44/757657744.db2.gz MGXKWIDCDWMPRG-GHMZBOCLSA-N 1 1 325.394 0.592 20 5 ECBDMO NC(=O)c1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996430104 757659279 /nfs/dbraw/zinc/65/92/79/757659279.db2.gz ZRBYWHSUHZGQNO-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO Cn1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325590 760129602 /nfs/dbraw/zinc/12/96/02/760129602.db2.gz IWJRUCXGFPNQRR-FDYHWXHSSA-N 1 1 336.396 0.245 20 5 ECBDMO C[NH+](C)Cc1ccccc1C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000991291134 760151272 /nfs/dbraw/zinc/15/12/72/760151272.db2.gz QMBWRJWIAMUXOQ-HUUCEWRRSA-N 1 1 346.387 0.354 20 5 ECBDMO Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048524920 760662588 /nfs/dbraw/zinc/66/25/88/760662588.db2.gz FRJADIASNUWFOL-STGWMILLSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1cncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048524920 760662592 /nfs/dbraw/zinc/66/25/92/760662592.db2.gz FRJADIASNUWFOL-STGWMILLSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1cncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048524920 760662596 /nfs/dbraw/zinc/66/25/96/760662596.db2.gz FRJADIASNUWFOL-STGWMILLSA-N 1 1 347.419 0.945 20 5 ECBDMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048524874 760662692 /nfs/dbraw/zinc/66/26/92/760662692.db2.gz CULNZUYEMRTXQL-XVIXHAIJSA-N 1 1 338.408 0.099 20 5 ECBDMO CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048524874 760662696 /nfs/dbraw/zinc/66/26/96/760662696.db2.gz CULNZUYEMRTXQL-XVIXHAIJSA-N 1 1 338.408 0.099 20 5 ECBDMO CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048524874 760662701 /nfs/dbraw/zinc/66/27/01/760662701.db2.gz CULNZUYEMRTXQL-XVIXHAIJSA-N 1 1 338.408 0.099 20 5 ECBDMO CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055519599 768992770 /nfs/dbraw/zinc/99/27/70/768992770.db2.gz GHQVRLGWSRCNAV-ZIAGYGMSSA-N 1 1 340.424 0.539 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N(C)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001043360561 778223411 /nfs/dbraw/zinc/22/34/11/778223411.db2.gz VHODQMRPWPTQLX-UHFFFAOYSA-N 1 1 347.379 0.176 20 5 ECBDMO CCC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)CC[NH+](C)C)CC1 ZINC001069591770 789923054 /nfs/dbraw/zinc/92/30/54/789923054.db2.gz IDYHBEBMFNGARE-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[N@@H+](CCNC(=O)Cc1nc[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001266428007 835831883 /nfs/dbraw/zinc/83/18/83/835831883.db2.gz ICFGTWQGSHIELP-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO CC[N@H+](CCNC(=O)Cc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266428007 835831890 /nfs/dbraw/zinc/83/18/90/835831890.db2.gz ICFGTWQGSHIELP-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO CC[N@@H+](CCNC(=O)Cc1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001266428007 835831894 /nfs/dbraw/zinc/83/18/94/835831894.db2.gz ICFGTWQGSHIELP-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO CC(C)NC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267599091 837909236 /nfs/dbraw/zinc/90/92/36/837909236.db2.gz BVZOHLQEHYLHPG-ZIAGYGMSSA-N 1 1 340.424 0.347 20 5 ECBDMO CC(C)NC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267599091 837909247 /nfs/dbraw/zinc/90/92/47/837909247.db2.gz BVZOHLQEHYLHPG-ZIAGYGMSSA-N 1 1 340.424 0.347 20 5 ECBDMO CC(C)NC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267599091 837909256 /nfs/dbraw/zinc/90/92/56/837909256.db2.gz BVZOHLQEHYLHPG-ZIAGYGMSSA-N 1 1 340.424 0.347 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000428529494 210264952 /nfs/dbraw/zinc/26/49/52/210264952.db2.gz AQZKKIZKLKNJEO-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000428529494 210264955 /nfs/dbraw/zinc/26/49/55/210264955.db2.gz AQZKKIZKLKNJEO-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000183336545 529808873 /nfs/dbraw/zinc/80/88/73/529808873.db2.gz SRFOBRFXVKUCTM-OCCSQVGLSA-N 1 1 336.396 0.917 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068574063 215319640 /nfs/dbraw/zinc/31/96/40/215319640.db2.gz KXSLECYTZVJGLQ-UHFFFAOYSA-N 1 1 334.376 0.877 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000104210970 219360606 /nfs/dbraw/zinc/36/06/06/219360606.db2.gz GEIDWBBJSZOLQM-UHFFFAOYSA-N 1 1 335.408 0.760 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000183764491 235219932 /nfs/dbraw/zinc/21/99/32/235219932.db2.gz RRXOQBAKCOVNBA-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000183764491 235219934 /nfs/dbraw/zinc/21/99/34/235219934.db2.gz RRXOQBAKCOVNBA-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000183764491 235219937 /nfs/dbraw/zinc/21/99/37/235219937.db2.gz RRXOQBAKCOVNBA-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193279811 240087158 /nfs/dbraw/zinc/08/71/58/240087158.db2.gz QSUHXCOAAAQELK-QMMMGPOBSA-N 1 1 333.341 0.725 20 5 ECBDMO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193616021 240235707 /nfs/dbraw/zinc/23/57/07/240235707.db2.gz PWQJIIKJUWSSLG-ZWNOBZJWSA-N 1 1 341.389 0.483 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000109991997 220007622 /nfs/dbraw/zinc/00/76/22/220007622.db2.gz AYOBONWGHYUGPG-JTQLQIEISA-N 1 1 341.389 0.680 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000109991993 220007639 /nfs/dbraw/zinc/00/76/39/220007639.db2.gz AYOBONWGHYUGPG-SNVBAGLBSA-N 1 1 341.389 0.680 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265237906 247326694 /nfs/dbraw/zinc/32/66/94/247326694.db2.gz QPDORZOXLWTYRS-GFCCVEGCSA-N 1 1 343.405 0.974 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000265228434 247318239 /nfs/dbraw/zinc/31/82/39/247318239.db2.gz HBWHQQPGYPOTBP-UHFFFAOYSA-N 1 1 336.396 0.480 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000266565743 248362824 /nfs/dbraw/zinc/36/28/24/248362824.db2.gz ZOYHNHZUWVKIDS-VWYCJHECSA-N 1 1 338.286 0.540 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC[C@H](O)C1 ZINC000451231472 211368766 /nfs/dbraw/zinc/36/87/66/211368766.db2.gz CXRVUQQSHGTAAJ-GFCCVEGCSA-N 1 1 337.332 0.586 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450880294 211348859 /nfs/dbraw/zinc/34/88/59/211348859.db2.gz KQBKALRQFRQARW-MRXNPFEDSA-N 1 1 345.359 0.781 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411917530 208166715 /nfs/dbraw/zinc/16/67/15/208166715.db2.gz CPLUGDNJBSBCOO-MELADBBJSA-N 1 1 326.349 0.416 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956206 208178604 /nfs/dbraw/zinc/17/86/04/208178604.db2.gz RCKLCJPIZQFQLG-QWHCGFSZSA-N 1 1 337.376 0.745 20 5 ECBDMO Cc1[nH+]ccn1CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000357978066 299662703 /nfs/dbraw/zinc/66/27/03/299662703.db2.gz GDFAHVBAKNAXNO-UHFFFAOYSA-N 1 1 345.359 0.841 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000270684006 263262682 /nfs/dbraw/zinc/26/26/82/263262682.db2.gz QLBCDUJCMOJLTH-LBPRGKRZSA-N 1 1 325.369 0.144 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272410810 263347375 /nfs/dbraw/zinc/34/73/75/263347375.db2.gz ZHPATPGSYKMERY-LLVKDONJSA-N 1 1 336.348 0.299 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000275715638 263638891 /nfs/dbraw/zinc/63/88/91/263638891.db2.gz UYLPHRCHIDFUFX-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000275715638 263638892 /nfs/dbraw/zinc/63/88/92/263638892.db2.gz UYLPHRCHIDFUFX-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOCCO ZINC000282310473 264033579 /nfs/dbraw/zinc/03/35/79/264033579.db2.gz GWBRCLIGGBBFPT-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000295189860 265051642 /nfs/dbraw/zinc/05/16/42/265051642.db2.gz IRUNJPJEPOKJAJ-HNNXBMFYSA-N 1 1 348.338 0.949 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000299233959 265353691 /nfs/dbraw/zinc/35/36/91/265353691.db2.gz RDBXIWCFEHVFPA-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000299233959 265353694 /nfs/dbraw/zinc/35/36/94/265353694.db2.gz RDBXIWCFEHVFPA-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO Cc1cccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000264496131 281194006 /nfs/dbraw/zinc/19/40/06/281194006.db2.gz JVIOTSFMRXKGSG-ZDUSSCGKSA-N 1 1 334.376 0.973 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C2)C1 ZINC000291616920 437613128 /nfs/dbraw/zinc/61/31/28/437613128.db2.gz ANPBPOVRNGYNLN-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337700700 297206340 /nfs/dbraw/zinc/20/63/40/297206340.db2.gz TZDLGJISYDRGGN-LBPRGKRZSA-N 1 1 337.380 0.513 20 5 ECBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000344415958 298016008 /nfs/dbraw/zinc/01/60/08/298016008.db2.gz DRIRLQJZTVFGEW-LBPRGKRZSA-N 1 1 349.391 0.557 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000344415958 298016011 /nfs/dbraw/zinc/01/60/11/298016011.db2.gz DRIRLQJZTVFGEW-LBPRGKRZSA-N 1 1 349.391 0.557 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000346769048 298339043 /nfs/dbraw/zinc/33/90/43/298339043.db2.gz OKJQDEQRTRQOQC-RNCFNFMXSA-N 1 1 333.352 0.123 20 5 ECBDMO Cc1cc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc(N2CCCC2)[nH+]1 ZINC000362333494 300183823 /nfs/dbraw/zinc/18/38/23/300183823.db2.gz NXZHHYLUOCZJSG-UHFFFAOYSA-N 1 1 345.363 0.806 20 5 ECBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300737 300259475 /nfs/dbraw/zinc/25/94/75/300259475.db2.gz YGQHATLZWDWHFL-AYRXBEOTSA-N 1 1 325.409 0.999 20 5 ECBDMO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300737 300259478 /nfs/dbraw/zinc/25/94/78/300259478.db2.gz YGQHATLZWDWHFL-AYRXBEOTSA-N 1 1 325.409 0.999 20 5 ECBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300737 300259480 /nfs/dbraw/zinc/25/94/80/300259480.db2.gz YGQHATLZWDWHFL-AYRXBEOTSA-N 1 1 325.409 0.999 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000364068784 300323089 /nfs/dbraw/zinc/32/30/89/300323089.db2.gz DSZLFLXQTKMJRW-VXGBXAGGSA-N 1 1 337.380 0.308 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000364865957 300395699 /nfs/dbraw/zinc/39/56/99/300395699.db2.gz UXUHSJNGXDXFGY-MRXNPFEDSA-N 1 1 332.360 0.770 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000364865957 300395702 /nfs/dbraw/zinc/39/57/02/300395702.db2.gz UXUHSJNGXDXFGY-MRXNPFEDSA-N 1 1 332.360 0.770 20 5 ECBDMO NC(=O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000025523895 436153788 /nfs/dbraw/zinc/15/37/88/436153788.db2.gz HHHHOGFETUIJRA-UHFFFAOYSA-N 1 1 332.360 0.681 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372559374 301009449 /nfs/dbraw/zinc/00/94/49/301009449.db2.gz ZQTSNPBFIGFHTP-UHFFFAOYSA-N 1 1 325.369 0.097 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCc1c[nH+]c2n1CCCC2 ZINC000375387250 301171693 /nfs/dbraw/zinc/17/16/93/301171693.db2.gz AVMHXPDILJPIQL-UHFFFAOYSA-N 1 1 331.332 0.606 20 5 ECBDMO COc1cc(C[N@@H+]2CCC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000375528354 301184454 /nfs/dbraw/zinc/18/44/54/301184454.db2.gz LPRVVVRDLORVND-OAHLLOKOSA-N 1 1 339.348 0.424 20 5 ECBDMO COc1cc(C[N@H+]2CCC[C@](O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000375528354 301184458 /nfs/dbraw/zinc/18/44/58/301184458.db2.gz LPRVVVRDLORVND-OAHLLOKOSA-N 1 1 339.348 0.424 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593344 301363044 /nfs/dbraw/zinc/36/30/44/301363044.db2.gz NNLILDLRTKTGSD-MNOVXSKESA-N 1 1 337.380 0.863 20 5 ECBDMO CC(=O)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028694871 436192527 /nfs/dbraw/zinc/19/25/27/436192527.db2.gz HQKWGRVQZQXLEZ-OAHLLOKOSA-N 1 1 337.376 0.889 20 5 ECBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000031526475 436229963 /nfs/dbraw/zinc/22/99/63/436229963.db2.gz UGCYVXUHWJPMKB-UHFFFAOYSA-N 1 1 338.412 0.709 20 5 ECBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000031526475 436229966 /nfs/dbraw/zinc/22/99/66/436229966.db2.gz UGCYVXUHWJPMKB-UHFFFAOYSA-N 1 1 338.412 0.709 20 5 ECBDMO C[C@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080894241 436329296 /nfs/dbraw/zinc/32/92/96/436329296.db2.gz YDROSSMWHIAZQB-INIZCTEOSA-N 1 1 337.376 0.337 20 5 ECBDMO COCCC[N@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000081100691 436338464 /nfs/dbraw/zinc/33/84/64/436338464.db2.gz ODDRRFYSBUHPCM-HNNXBMFYSA-N 1 1 341.412 0.196 20 5 ECBDMO COCCCN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000081100691 436338466 /nfs/dbraw/zinc/33/84/66/436338466.db2.gz ODDRRFYSBUHPCM-HNNXBMFYSA-N 1 1 341.412 0.196 20 5 ECBDMO COCCCN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000081100691 436338469 /nfs/dbraw/zinc/33/84/69/436338469.db2.gz ODDRRFYSBUHPCM-HNNXBMFYSA-N 1 1 341.412 0.196 20 5 ECBDMO CCOC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000083244267 436368773 /nfs/dbraw/zinc/36/87/73/436368773.db2.gz MVYDOAFCWBDVCV-AWEZNQCLSA-N 1 1 340.380 0.960 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000050964985 436479834 /nfs/dbraw/zinc/47/98/34/436479834.db2.gz MQLHNDJWNYOPDA-UHFFFAOYSA-N 1 1 334.376 0.831 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2ncn(C[C@@H](O)C[NH+]3CCOCC3)n2)cc1 ZINC000051323593 436487856 /nfs/dbraw/zinc/48/78/56/436487856.db2.gz MPJCCTMOVCYUBS-AWEZNQCLSA-N 1 1 333.348 0.546 20 5 ECBDMO COc1ccc(NC(=O)CN2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000057449306 436612329 /nfs/dbraw/zinc/61/23/29/436612329.db2.gz IUKTZRHZOBGSAC-UHFFFAOYSA-N 1 1 338.364 0.152 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](OCCO)C1 ZINC000273349879 436748458 /nfs/dbraw/zinc/74/84/58/436748458.db2.gz PBYSQOJXEIFPGW-KBPBESRZSA-N 1 1 340.376 0.808 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272491548 436717912 /nfs/dbraw/zinc/71/79/12/436717912.db2.gz TYSMSOFEDYEQGB-SWLSCSKDSA-N 1 1 346.387 0.877 20 5 ECBDMO C[C@](O)(CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000255896171 436855651 /nfs/dbraw/zinc/85/56/51/436855651.db2.gz LKYFAESUBMMQOQ-TUYSUELWSA-N 1 1 349.387 0.807 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000274471034 436829813 /nfs/dbraw/zinc/82/98/13/436829813.db2.gz ZGZQHKCHICBIGQ-HOCLYGCPSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000274471034 436829819 /nfs/dbraw/zinc/82/98/19/436829819.db2.gz ZGZQHKCHICBIGQ-HOCLYGCPSA-N 1 1 338.360 0.826 20 5 ECBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000275132108 436928023 /nfs/dbraw/zinc/92/80/23/436928023.db2.gz RZTHNOXGWUOVRU-SECBINFHSA-N 1 1 335.286 0.792 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000261644233 436881807 /nfs/dbraw/zinc/88/18/07/436881807.db2.gz CLSHBKLYUIQVGE-GFCCVEGCSA-N 1 1 330.348 0.697 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000275407329 436964363 /nfs/dbraw/zinc/96/43/63/436964363.db2.gz CJYKCKPEJZAUAV-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000275407329 436964367 /nfs/dbraw/zinc/96/43/67/436964367.db2.gz CJYKCKPEJZAUAV-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000295587492 436974132 /nfs/dbraw/zinc/97/41/32/436974132.db2.gz MHFUXYYPIBGLQJ-LLVKDONJSA-N 1 1 339.348 0.625 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1(C)C ZINC000281803881 436998557 /nfs/dbraw/zinc/99/85/57/436998557.db2.gz PJYDLLLBDRSIIA-UHFFFAOYSA-N 1 1 335.408 0.933 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000264568431 437047644 /nfs/dbraw/zinc/04/76/44/437047644.db2.gz RYXSGFZSOIVIQF-JTQLQIEISA-N 1 1 333.348 0.922 20 5 ECBDMO Nc1c(C(=O)NCCC[NH+]2CCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000298701686 437048514 /nfs/dbraw/zinc/04/85/14/437048514.db2.gz RNYHUKHTUIAMIS-UHFFFAOYSA-N 1 1 326.328 0.768 20 5 ECBDMO NC(=O)CC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173625065 437058422 /nfs/dbraw/zinc/05/84/22/437058422.db2.gz ICZSUBJBDSQVIO-YPMHNXCESA-N 1 1 325.369 0.130 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000299263792 437064171 /nfs/dbraw/zinc/06/41/71/437064171.db2.gz ZVBVBYGBMLTQDG-UHFFFAOYSA-N 1 1 325.369 0.431 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000264691225 437065474 /nfs/dbraw/zinc/06/54/74/437065474.db2.gz RAMYJPIXZWZSPC-LBPRGKRZSA-N 1 1 334.376 0.783 20 5 ECBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CN1CC[NH+](C)CC1 ZINC000176665286 437152599 /nfs/dbraw/zinc/15/25/99/437152599.db2.gz WBTTXMUQVHPLAN-LBPRGKRZSA-N 1 1 335.408 0.790 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000265371279 437115570 /nfs/dbraw/zinc/11/55/70/437115570.db2.gz IEYOWAGSDCADBS-UHFFFAOYSA-N 1 1 338.364 0.536 20 5 ECBDMO O=C([C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000287414734 437187317 /nfs/dbraw/zinc/18/73/17/437187317.db2.gz ORPYRSGMYGVSPZ-ZDUSSCGKSA-N 1 1 334.376 0.701 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000266934605 437267160 /nfs/dbraw/zinc/26/71/60/437267160.db2.gz PJUNWJDFEGZFDZ-UHFFFAOYSA-N 1 1 344.375 0.749 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000178987990 437247229 /nfs/dbraw/zinc/24/72/29/437247229.db2.gz RVSSTZJKHPZFGZ-UHFFFAOYSA-N 1 1 339.396 0.608 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904462 437263288 /nfs/dbraw/zinc/26/32/88/437263288.db2.gz JHXTUIPZKYQRIP-OLZOCXBDSA-N 1 1 339.396 0.654 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000278379740 437308256 /nfs/dbraw/zinc/30/82/56/437308256.db2.gz CHUGVGHVOBQONR-LBPRGKRZSA-N 1 1 325.369 0.408 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000184788858 437412509 /nfs/dbraw/zinc/41/25/09/437412509.db2.gz MPGBBRRKCPSXCF-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186661020 437480516 /nfs/dbraw/zinc/48/05/16/437480516.db2.gz IZDFZWNRFFCBSP-LLVKDONJSA-N 1 1 338.389 0.693 20 5 ECBDMO CCc1n[nH]c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290595788 437505350 /nfs/dbraw/zinc/50/53/50/437505350.db2.gz JBHCVDFCFKZOSH-UHFFFAOYSA-N 1 1 340.428 0.836 20 5 ECBDMO CCc1[nH]nc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290595788 437505351 /nfs/dbraw/zinc/50/53/51/437505351.db2.gz JBHCVDFCFKZOSH-UHFFFAOYSA-N 1 1 340.428 0.836 20 5 ECBDMO CCc1[nH]nc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290595788 437505356 /nfs/dbraw/zinc/50/53/56/437505356.db2.gz JBHCVDFCFKZOSH-UHFFFAOYSA-N 1 1 340.428 0.836 20 5 ECBDMO CCc1n[nH]c(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290595788 437505359 /nfs/dbraw/zinc/50/53/59/437505359.db2.gz JBHCVDFCFKZOSH-UHFFFAOYSA-N 1 1 340.428 0.836 20 5 ECBDMO CCc1[nH]nc(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290595788 437505362 /nfs/dbraw/zinc/50/53/62/437505362.db2.gz JBHCVDFCFKZOSH-UHFFFAOYSA-N 1 1 340.428 0.836 20 5 ECBDMO Cc1n[nH]c(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290637153 437510677 /nfs/dbraw/zinc/51/06/77/437510677.db2.gz MGLBKGSNTROVPE-UHFFFAOYSA-N 1 1 326.401 0.582 20 5 ECBDMO Cc1[nH]nc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290637153 437510681 /nfs/dbraw/zinc/51/06/81/437510681.db2.gz MGLBKGSNTROVPE-UHFFFAOYSA-N 1 1 326.401 0.582 20 5 ECBDMO Cc1[nH]nc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290637153 437510686 /nfs/dbraw/zinc/51/06/86/437510686.db2.gz MGLBKGSNTROVPE-UHFFFAOYSA-N 1 1 326.401 0.582 20 5 ECBDMO Cc1n[nH]c(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290637153 437510691 /nfs/dbraw/zinc/51/06/91/437510691.db2.gz MGLBKGSNTROVPE-UHFFFAOYSA-N 1 1 326.401 0.582 20 5 ECBDMO Cc1[nH]nc(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290637153 437510693 /nfs/dbraw/zinc/51/06/93/437510693.db2.gz MGLBKGSNTROVPE-UHFFFAOYSA-N 1 1 326.401 0.582 20 5 ECBDMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354080738 437524164 /nfs/dbraw/zinc/52/41/64/437524164.db2.gz BVBMPCWLOKQHKC-ZDUSSCGKSA-N 1 1 345.359 0.467 20 5 ECBDMO CC(C)[N@@H+](C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000353931390 437489526 /nfs/dbraw/zinc/48/95/26/437489526.db2.gz ZFACVUUDOXFVLG-UHFFFAOYSA-N 1 1 348.359 0.647 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188694441 437562194 /nfs/dbraw/zinc/56/21/94/437562194.db2.gz RESIMIJDFOLBOX-LLVKDONJSA-N 1 1 339.396 0.403 20 5 ECBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@@H](C)O1 ZINC000354261453 437574164 /nfs/dbraw/zinc/57/41/64/437574164.db2.gz OFVUTDQBNWDHKE-FOGDFJRCSA-N 1 1 345.783 0.880 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556055 437670417 /nfs/dbraw/zinc/67/04/17/437670417.db2.gz DZQGGQZHPPVMSG-MELADBBJSA-N 1 1 340.376 0.806 20 5 ECBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292373464 437685828 /nfs/dbraw/zinc/68/58/28/437685828.db2.gz YTJFUFXPJMTOTD-ZDUSSCGKSA-N 1 1 343.405 0.939 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1C[C@H](C)O ZINC000356739718 437822378 /nfs/dbraw/zinc/82/23/78/437822378.db2.gz OUJRDJCPNALNAL-WDEREUQCSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1C[C@H](C)O ZINC000356739718 437822383 /nfs/dbraw/zinc/82/23/83/437822383.db2.gz OUJRDJCPNALNAL-WDEREUQCSA-N 1 1 325.369 0.246 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363217958 437775994 /nfs/dbraw/zinc/77/59/94/437775994.db2.gz DFTRVGZNYGWORD-LBPRGKRZSA-N 1 1 338.364 0.324 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356709371 437815986 /nfs/dbraw/zinc/81/59/86/437815986.db2.gz IYXGDVWZIAYVFE-UHFFFAOYSA-N 1 1 339.396 0.759 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347204566 437852952 /nfs/dbraw/zinc/85/29/52/437852952.db2.gz PLTLLPXOEKCBIK-CYBMUJFWSA-N 1 1 349.391 0.462 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000366213176 438037814 /nfs/dbraw/zinc/03/78/14/438037814.db2.gz JWELBSZDIVARHY-LBPRGKRZSA-N 1 1 336.396 0.067 20 5 ECBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284262 438042601 /nfs/dbraw/zinc/04/26/01/438042601.db2.gz PNCYVKHDNWJIPU-ZBFHGGJFSA-N 1 1 337.424 0.816 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348760065 438093614 /nfs/dbraw/zinc/09/36/14/438093614.db2.gz FCCOIHAIEQITCH-KGLIPLIRSA-N 1 1 337.376 0.351 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348760065 438093617 /nfs/dbraw/zinc/09/36/17/438093617.db2.gz FCCOIHAIEQITCH-KGLIPLIRSA-N 1 1 337.376 0.351 20 5 ECBDMO O=C1C[C@]2(CN1)CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762620 438058398 /nfs/dbraw/zinc/05/83/98/438058398.db2.gz VUBJTKXJPAKXOD-GUYCJALGSA-N 1 1 349.387 0.937 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358078166 438145080 /nfs/dbraw/zinc/14/50/80/438145080.db2.gz XWCUKJVBOBDYAE-CQSZACIVSA-N 1 1 345.302 0.993 20 5 ECBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358219269 438183731 /nfs/dbraw/zinc/18/37/31/438183731.db2.gz XXOIBYIQCKBXHB-CQSZACIVSA-N 1 1 343.405 0.502 20 5 ECBDMO CC(C)OC[C@@H](CO)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433146267 438227044 /nfs/dbraw/zinc/22/70/44/438227044.db2.gz UOWPUBMXNDTIKK-CYBMUJFWSA-N 1 1 325.365 0.911 20 5 ECBDMO CC(C)OC[C@@H](CO)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433146267 438227049 /nfs/dbraw/zinc/22/70/49/438227049.db2.gz UOWPUBMXNDTIKK-CYBMUJFWSA-N 1 1 325.365 0.911 20 5 ECBDMO C[N@@H+]1CC[C@@](O)(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306552 438197227 /nfs/dbraw/zinc/19/72/27/438197227.db2.gz HLBGWAGMZFYARZ-CYBMUJFWSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306552 438197230 /nfs/dbraw/zinc/19/72/30/438197230.db2.gz HLBGWAGMZFYARZ-CYBMUJFWSA-N 1 1 329.378 0.477 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368068600 438284601 /nfs/dbraw/zinc/28/46/01/438284601.db2.gz BGSJNUGYTJXBAY-GYSYKLTISA-N 1 1 332.360 0.990 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000368419436 438328157 /nfs/dbraw/zinc/32/81/57/438328157.db2.gz KZZGCQOWBJGZDU-UHFFFAOYSA-N 1 1 339.396 0.405 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368811960 438381566 /nfs/dbraw/zinc/38/15/66/438381566.db2.gz CWDJTWRRPHAHBG-VXGBXAGGSA-N 1 1 341.389 0.736 20 5 ECBDMO CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378435257 438386890 /nfs/dbraw/zinc/38/68/90/438386890.db2.gz UEEFKFGKCVXUGJ-HNNXBMFYSA-N 1 1 336.440 0.892 20 5 ECBDMO CN(CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378435257 438386893 /nfs/dbraw/zinc/38/68/93/438386893.db2.gz UEEFKFGKCVXUGJ-HNNXBMFYSA-N 1 1 336.440 0.892 20 5 ECBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352500611 438431885 /nfs/dbraw/zinc/43/18/85/438431885.db2.gz PQMNLWJKBYZOLY-NSHDSACASA-N 1 1 345.425 0.964 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000352551210 438440232 /nfs/dbraw/zinc/44/02/32/438440232.db2.gz WMIHRGRKLUYTDR-LBPRGKRZSA-N 1 1 345.425 0.395 20 5 ECBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405692289 438470588 /nfs/dbraw/zinc/47/05/88/438470588.db2.gz ODIJCKJTYWGSIP-UONOGXRCSA-N 1 1 341.389 0.175 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000369305027 438450181 /nfs/dbraw/zinc/45/01/81/438450181.db2.gz AKZXYRKIRFOIOG-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000369305027 438450185 /nfs/dbraw/zinc/45/01/85/438450185.db2.gz AKZXYRKIRFOIOG-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CN1CC[NH+](C)CC1 ZINC000359799731 438499981 /nfs/dbraw/zinc/49/99/81/438499981.db2.gz SVUDHMPVLVRDOW-LLVKDONJSA-N 1 1 336.396 0.185 20 5 ECBDMO CCCn1nc2c(cc1=O)C[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000370056356 438548315 /nfs/dbraw/zinc/54/83/15/438548315.db2.gz QACPRNXMGVEXIV-UHFFFAOYSA-N 1 1 332.364 0.853 20 5 ECBDMO CCCn1nc2c(cc1=O)C[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC000370056356 438548319 /nfs/dbraw/zinc/54/83/19/438548319.db2.gz QACPRNXMGVEXIV-UHFFFAOYSA-N 1 1 332.364 0.853 20 5 ECBDMO COC[C@]1(CO)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451939382 438617291 /nfs/dbraw/zinc/61/72/91/438617291.db2.gz WIBOOMLYCMXLTA-QGZVFWFLSA-N 1 1 349.387 0.815 20 5 ECBDMO COC[C@]1(CO)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451939382 438617293 /nfs/dbraw/zinc/61/72/93/438617293.db2.gz WIBOOMLYCMXLTA-QGZVFWFLSA-N 1 1 349.387 0.815 20 5 ECBDMO C[C@@H]([NH3+])C[C@@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937486 438618888 /nfs/dbraw/zinc/61/88/88/438618888.db2.gz CMZIJZSZBXAJIH-GHMZBOCLSA-N 1 1 330.410 0.589 20 5 ECBDMO CNc1nc(C(=O)NCCC[N@@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000454692547 438725613 /nfs/dbraw/zinc/72/56/13/438725613.db2.gz BWYBPARCMNNNBK-UHFFFAOYSA-N 1 1 325.369 0.730 20 5 ECBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661091 438841232 /nfs/dbraw/zinc/84/12/32/438841232.db2.gz IAZZIFWLFZUTTA-HOCLYGCPSA-N 1 1 340.376 0.808 20 5 ECBDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000595787694 438861035 /nfs/dbraw/zinc/86/10/35/438861035.db2.gz GKMFWWNPCKCJNV-ZNMIVQPWSA-N 1 1 340.401 0.881 20 5 ECBDMO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000595787694 438861042 /nfs/dbraw/zinc/86/10/42/438861042.db2.gz GKMFWWNPCKCJNV-ZNMIVQPWSA-N 1 1 340.401 0.881 20 5 ECBDMO O=C1[C@@H]([N@@H+]2CCC(CO)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595805636 438864936 /nfs/dbraw/zinc/86/49/36/438864936.db2.gz JCEDJKSEWUEZBW-AWEZNQCLSA-N 1 1 335.360 0.377 20 5 ECBDMO O=C1[C@@H]([N@H+]2CCC(CO)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595805636 438864940 /nfs/dbraw/zinc/86/49/40/438864940.db2.gz JCEDJKSEWUEZBW-AWEZNQCLSA-N 1 1 335.360 0.377 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590338110 438912337 /nfs/dbraw/zinc/91/23/37/438912337.db2.gz VFYSZTBVYAAQRY-OAHLLOKOSA-N 1 1 339.396 0.970 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402419 438918605 /nfs/dbraw/zinc/91/86/05/438918605.db2.gz TUAKHAIBMJYVSS-ZIAGYGMSSA-N 1 1 337.380 0.503 20 5 ECBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596359813 438958854 /nfs/dbraw/zinc/95/88/54/438958854.db2.gz FYINXZHUUPBQTD-LBPRGKRZSA-N 1 1 335.412 1.321 20 5 ECBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000596359813 438958856 /nfs/dbraw/zinc/95/88/56/438958856.db2.gz FYINXZHUUPBQTD-LBPRGKRZSA-N 1 1 335.412 1.321 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000517403916 438965226 /nfs/dbraw/zinc/96/52/26/438965226.db2.gz JJEUDYULPOCPNW-ZDUSSCGKSA-N 1 1 337.376 0.983 20 5 ECBDMO O=C1C[C@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000601909557 438990103 /nfs/dbraw/zinc/99/01/03/438990103.db2.gz FQMIVHBBOCPNHW-WDMOLILDSA-N 1 1 331.328 0.805 20 5 ECBDMO Cn1cc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602463958 439091468 /nfs/dbraw/zinc/09/14/68/439091468.db2.gz YCCQUQUQRXMAIZ-OAHLLOKOSA-N 1 1 336.440 0.930 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000566761047 439086054 /nfs/dbraw/zinc/08/60/54/439086054.db2.gz CEDWGOMBHBZVOI-WFASDCNBSA-N 1 1 337.376 0.907 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000597708546 439163892 /nfs/dbraw/zinc/16/38/92/439163892.db2.gz AQGKARMQDMDAMO-CYBMUJFWSA-N 1 1 337.380 0.505 20 5 ECBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597854818 439194475 /nfs/dbraw/zinc/19/44/75/439194475.db2.gz MHUGLBGEARRVSH-LBPRGKRZSA-N 1 1 336.392 0.993 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601184 439212516 /nfs/dbraw/zinc/21/25/16/439212516.db2.gz RWLOXFMEEHEXOC-LLVKDONJSA-N 1 1 344.393 0.379 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601184 439212520 /nfs/dbraw/zinc/21/25/20/439212520.db2.gz RWLOXFMEEHEXOC-LLVKDONJSA-N 1 1 344.393 0.379 20 5 ECBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592388728 439216791 /nfs/dbraw/zinc/21/67/91/439216791.db2.gz LLBWHZMOZKLZKF-QMMMGPOBSA-N 1 1 349.390 0.182 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000568839826 439281781 /nfs/dbraw/zinc/28/17/81/439281781.db2.gz YOFGMISAYVBMAG-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000568839826 439281792 /nfs/dbraw/zinc/28/17/92/439281792.db2.gz YOFGMISAYVBMAG-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598776965 439314769 /nfs/dbraw/zinc/31/47/69/439314769.db2.gz RDVTVENJNYNOQK-GFCCVEGCSA-N 1 1 336.348 0.367 20 5 ECBDMO CCOC(=O)COCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582694311 439367867 /nfs/dbraw/zinc/36/78/67/439367867.db2.gz JXOMXZQTXNWNHU-UHFFFAOYSA-N 1 1 338.364 0.692 20 5 ECBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593554296 439403185 /nfs/dbraw/zinc/40/31/85/439403185.db2.gz VFBDXAPXMNNPBL-LLVKDONJSA-N 1 1 328.394 0.952 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000599338745 439440358 /nfs/dbraw/zinc/44/03/58/439440358.db2.gz WDDUIJZKKPTILK-SECBINFHSA-N 1 1 331.398 0.479 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCNC(C)=O)c([N+](=O)[O-])c1 ZINC000571043259 439470057 /nfs/dbraw/zinc/47/00/57/439470057.db2.gz FSDCEWQODYFTCD-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855918 439478284 /nfs/dbraw/zinc/47/82/84/439478284.db2.gz RHYMZJYQFMRHHV-CYBMUJFWSA-N 1 1 337.401 0.964 20 5 ECBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855918 439478289 /nfs/dbraw/zinc/47/82/89/439478289.db2.gz RHYMZJYQFMRHHV-CYBMUJFWSA-N 1 1 337.401 0.964 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633804 439521585 /nfs/dbraw/zinc/52/15/85/439521585.db2.gz WTUTVFKNQSXHHK-IFMYKAFSSA-N 1 1 325.390 0.742 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599693064 439536971 /nfs/dbraw/zinc/53/69/71/439536971.db2.gz WAUZWBVWFWNIHO-NSHDSACASA-N 1 1 331.398 0.053 20 5 ECBDMO Cn1c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861428 439547805 /nfs/dbraw/zinc/54/78/05/439547805.db2.gz VKHHXOTUCVXXEE-GFCCVEGCSA-N 1 1 349.391 0.488 20 5 ECBDMO CN1C[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100428 439555771 /nfs/dbraw/zinc/55/57/71/439555771.db2.gz XEEYVCFNHLQGLP-KBPBESRZSA-N 1 1 337.376 0.887 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594420429 439557386 /nfs/dbraw/zinc/55/73/86/439557386.db2.gz TVCMXVXUYQDXMZ-CHWSQXEVSA-N 1 1 334.376 0.890 20 5 ECBDMO CC(C)(C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938933 439580496 /nfs/dbraw/zinc/58/04/96/439580496.db2.gz STKZNWIKTBAVHA-WCQYABFASA-N 1 1 337.380 0.194 20 5 ECBDMO NC(=O)c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000572511541 439589451 /nfs/dbraw/zinc/58/94/51/439589451.db2.gz DJUSWDXSLAGWRK-SNVBAGLBSA-N 1 1 335.316 0.816 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265574 439608635 /nfs/dbraw/zinc/60/86/35/439608635.db2.gz UQCDECGLSUTPNE-UHFFFAOYSA-N 1 1 332.382 0.236 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594847166 439628947 /nfs/dbraw/zinc/62/89/47/439628947.db2.gz OMFTXFDKRMAUOV-UHFFFAOYSA-N 1 1 329.378 0.786 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587857201 439669308 /nfs/dbraw/zinc/66/93/08/439669308.db2.gz BMTMUCSWZGRGRC-LLVKDONJSA-N 1 1 349.391 0.288 20 5 ECBDMO CC[N@H+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084668 439671693 /nfs/dbraw/zinc/67/16/93/439671693.db2.gz IDTHXKCPAWNJCQ-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595312908 439698572 /nfs/dbraw/zinc/69/85/72/439698572.db2.gz PEPZLFJCZGBFMF-SNVBAGLBSA-N 1 1 346.384 0.739 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595312908 439698575 /nfs/dbraw/zinc/69/85/75/439698575.db2.gz PEPZLFJCZGBFMF-SNVBAGLBSA-N 1 1 346.384 0.739 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600532196 439675152 /nfs/dbraw/zinc/67/51/52/439675152.db2.gz HLPUTYWEAAFMQR-SNVBAGLBSA-N 1 1 345.302 0.993 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000611334842 439691323 /nfs/dbraw/zinc/69/13/23/439691323.db2.gz PKENHZQJYHAKRG-LBPRGKRZSA-N 1 1 337.380 0.655 20 5 ECBDMO CN1CC(=O)N(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000595291961 439693157 /nfs/dbraw/zinc/69/31/57/439693157.db2.gz YQOMVPPQRUPFTA-UHFFFAOYSA-N 1 1 347.375 0.611 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000611834623 439732138 /nfs/dbraw/zinc/73/21/38/439732138.db2.gz ZCJWSKMYTKXDOP-ZDUSSCGKSA-N 1 1 334.376 0.843 20 5 ECBDMO COC(=O)c1cnc(N2CC[N@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000616378928 439816690 /nfs/dbraw/zinc/81/66/90/439816690.db2.gz ABLGAFJSTGQNJS-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO COC(=O)c1cnc(N2CC[N@@H+](CCO)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000616378928 439816691 /nfs/dbraw/zinc/81/66/91/439816691.db2.gz ABLGAFJSTGQNJS-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000617405657 439877561 /nfs/dbraw/zinc/87/75/61/439877561.db2.gz JNMUPORREWEFOH-LLVKDONJSA-N 1 1 325.369 0.652 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188067 321269079 /nfs/dbraw/zinc/26/90/79/321269079.db2.gz JZBBCMBSVBFPSD-BMIGLBTASA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188067 321269080 /nfs/dbraw/zinc/26/90/80/321269080.db2.gz JZBBCMBSVBFPSD-BMIGLBTASA-N 1 1 336.348 0.152 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000547439179 322126924 /nfs/dbraw/zinc/12/69/24/322126924.db2.gz SUQDSIIZQSOCFX-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383069 322272131 /nfs/dbraw/zinc/27/21/31/322272131.db2.gz QDTHGGWMGUITQL-WFASDCNBSA-N 1 1 337.376 0.907 20 5 ECBDMO CCOC(=O)N[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159746747 529095032 /nfs/dbraw/zinc/09/50/32/529095032.db2.gz RDCBSDIKTPMGPY-GFCCVEGCSA-N 1 1 338.364 0.967 20 5 ECBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159746747 529095033 /nfs/dbraw/zinc/09/50/33/529095033.db2.gz RDCBSDIKTPMGPY-GFCCVEGCSA-N 1 1 338.364 0.967 20 5 ECBDMO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000619789008 546369609 /nfs/dbraw/zinc/36/96/09/546369609.db2.gz POTGZTSHTLUWSA-LBPRGKRZSA-N 1 1 336.396 0.558 20 5 ECBDMO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000619789008 546369611 /nfs/dbraw/zinc/36/96/11/546369611.db2.gz POTGZTSHTLUWSA-LBPRGKRZSA-N 1 1 336.396 0.558 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619874151 546376556 /nfs/dbraw/zinc/37/65/56/546376556.db2.gz ZVSZVYMUHKPVNH-AWEZNQCLSA-N 1 1 334.376 0.480 20 5 ECBDMO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1C ZINC000754079851 579412415 /nfs/dbraw/zinc/41/24/15/579412415.db2.gz OEIKGOAGCQHNPZ-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H]1C ZINC000754079851 579412417 /nfs/dbraw/zinc/41/24/17/579412417.db2.gz OEIKGOAGCQHNPZ-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000759849098 579499246 /nfs/dbraw/zinc/49/92/46/579499246.db2.gz IRJMORWXDCPFEC-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000759849098 579499248 /nfs/dbraw/zinc/49/92/48/579499248.db2.gz IRJMORWXDCPFEC-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000759849098 579499250 /nfs/dbraw/zinc/49/92/50/579499250.db2.gz IRJMORWXDCPFEC-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000797414202 578633781 /nfs/dbraw/zinc/63/37/81/578633781.db2.gz MVBPCIMLACIMFW-HNNXBMFYSA-N 1 1 334.332 0.918 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000797414202 578633782 /nfs/dbraw/zinc/63/37/82/578633782.db2.gz MVBPCIMLACIMFW-HNNXBMFYSA-N 1 1 334.332 0.918 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786867467 578795932 /nfs/dbraw/zinc/79/59/32/578795932.db2.gz ZEVQFJDKJVIMQF-LLVKDONJSA-N 1 1 349.391 0.494 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000762554848 579543939 /nfs/dbraw/zinc/54/39/39/579543939.db2.gz LUWVJJSWPYCCLQ-GFCCVEGCSA-N 1 1 333.341 0.079 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762555955 579544067 /nfs/dbraw/zinc/54/40/67/579544067.db2.gz SEGXZXRKSOPUNR-LBPRGKRZSA-N 1 1 349.796 0.593 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000762942213 579551947 /nfs/dbraw/zinc/55/19/47/579551947.db2.gz HZOUKJOOQXJEFH-UHFFFAOYSA-N 1 1 345.359 0.756 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000742285471 579784989 /nfs/dbraw/zinc/78/49/89/579784989.db2.gz DSZGMKGSOBXPHE-GHMZBOCLSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000742285471 579784990 /nfs/dbraw/zinc/78/49/90/579784990.db2.gz DSZGMKGSOBXPHE-GHMZBOCLSA-N 1 1 342.377 0.131 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000891704609 586190167 /nfs/dbraw/zinc/19/01/67/586190167.db2.gz FUBSQSAVTYNXNZ-UHFFFAOYSA-N 1 1 336.396 0.463 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000891704609 586190170 /nfs/dbraw/zinc/19/01/70/586190170.db2.gz FUBSQSAVTYNXNZ-UHFFFAOYSA-N 1 1 336.396 0.463 20 5 ECBDMO Cc1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000888989433 586254851 /nfs/dbraw/zinc/25/48/51/586254851.db2.gz KXCCHOBGPCGDPM-UHFFFAOYSA-N 1 1 335.408 0.805 20 5 ECBDMO Cc1cc(C(=O)N2CCN(C)CC[N@H+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000888989433 586254852 /nfs/dbraw/zinc/25/48/52/586254852.db2.gz KXCCHOBGPCGDPM-UHFFFAOYSA-N 1 1 335.408 0.805 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894134091 586376343 /nfs/dbraw/zinc/37/63/43/586376343.db2.gz JMUBPDZYZIOATE-LBPRGKRZSA-N 1 1 346.387 0.950 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894134091 586376345 /nfs/dbraw/zinc/37/63/45/586376345.db2.gz JMUBPDZYZIOATE-LBPRGKRZSA-N 1 1 346.387 0.950 20 5 ECBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000899054333 586465117 /nfs/dbraw/zinc/46/51/17/586465117.db2.gz YWLGUJUTFIQJEX-UHFFFAOYSA-N 1 1 335.360 0.702 20 5 ECBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCC2(C1)OCCO2 ZINC000899054333 586465118 /nfs/dbraw/zinc/46/51/18/586465118.db2.gz YWLGUJUTFIQJEX-UHFFFAOYSA-N 1 1 335.360 0.702 20 5 ECBDMO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000838784088 586823983 /nfs/dbraw/zinc/82/39/83/586823983.db2.gz NVSQQYXBMQEUOX-GFCCVEGCSA-N 1 1 347.375 0.657 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808160636 587146489 /nfs/dbraw/zinc/14/64/89/587146489.db2.gz QYUYFIDMEHWRJH-ZJUUUORDSA-N 1 1 338.339 0.597 20 5 ECBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821164292 587576235 /nfs/dbraw/zinc/57/62/35/587576235.db2.gz AOYNXZZQWNKKBQ-JTQLQIEISA-N 1 1 332.368 0.948 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827375023 588116081 /nfs/dbraw/zinc/11/60/81/588116081.db2.gz SEHLBRGQUMQNSQ-HIFRSBDPSA-N 1 1 346.387 0.877 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)nc1 ZINC000845840919 589172727 /nfs/dbraw/zinc/17/27/27/589172727.db2.gz NVGOGLIFEOGPST-RYUDHWBXSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc1 ZINC000845840919 589172728 /nfs/dbraw/zinc/17/27/28/589172728.db2.gz NVGOGLIFEOGPST-RYUDHWBXSA-N 1 1 342.377 0.131 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588570 589301109 /nfs/dbraw/zinc/30/11/09/589301109.db2.gz VYWUBERONKAZHP-UHFFFAOYSA-N 1 1 347.318 0.997 20 5 ECBDMO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853554386 589548024 /nfs/dbraw/zinc/54/80/24/589548024.db2.gz WWWGBKIWVYUEIU-LBPRGKRZSA-N 1 1 348.359 0.867 20 5 ECBDMO Nc1ccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000856255669 589658351 /nfs/dbraw/zinc/65/83/51/589658351.db2.gz PVOYGIZMGAFGJP-ZDUSSCGKSA-N 1 1 334.376 0.848 20 5 ECBDMO O=C1OC[C@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000860164089 589750218 /nfs/dbraw/zinc/75/02/18/589750218.db2.gz FXRUANZDHIBLNE-LERXQTSPSA-N 1 1 331.328 0.805 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214647 589933270 /nfs/dbraw/zinc/93/32/70/589933270.db2.gz YRDHPMUENPVLKL-UHFFFAOYSA-N 1 1 335.364 0.509 20 5 ECBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665655 590139728 /nfs/dbraw/zinc/13/97/28/590139728.db2.gz RRRWHUBQSMRFSV-MNOVXSKESA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665655 590139730 /nfs/dbraw/zinc/13/97/30/590139730.db2.gz RRRWHUBQSMRFSV-MNOVXSKESA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665656 590139813 /nfs/dbraw/zinc/13/98/13/590139813.db2.gz RRRWHUBQSMRFSV-QWRGUYRKSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665656 590139816 /nfs/dbraw/zinc/13/98/16/590139816.db2.gz RRRWHUBQSMRFSV-QWRGUYRKSA-N 1 1 326.378 0.847 20 5 ECBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175417 590800331 /nfs/dbraw/zinc/80/03/31/590800331.db2.gz ZWBGPCCSUIFDDE-OCCSQVGLSA-N 1 1 325.365 0.836 20 5 ECBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175417 590800336 /nfs/dbraw/zinc/80/03/36/590800336.db2.gz ZWBGPCCSUIFDDE-OCCSQVGLSA-N 1 1 325.365 0.836 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000935712097 611396092 /nfs/dbraw/zinc/39/60/92/611396092.db2.gz QNWHSNLRHLDSRX-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000935712097 611396093 /nfs/dbraw/zinc/39/60/93/611396093.db2.gz QNWHSNLRHLDSRX-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000916660174 609945474 /nfs/dbraw/zinc/94/54/74/609945474.db2.gz GSDSYAVVIRFQJX-MNOVXSKESA-N 1 1 326.378 0.562 20 5 ECBDMO CN(CC[N@@H+](C)CCO)C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000912608733 609978227 /nfs/dbraw/zinc/97/82/27/609978227.db2.gz MYQFBBXJQRHOLO-UHFFFAOYSA-N 1 1 325.365 0.746 20 5 ECBDMO CN1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933996381 611764772 /nfs/dbraw/zinc/76/47/72/611764772.db2.gz VZSPHTPRHBOZAY-UHFFFAOYSA-N 1 1 335.408 0.713 20 5 ECBDMO O=C(C[NH+]1CCCC1)N1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000948966324 611775011 /nfs/dbraw/zinc/77/50/11/611775011.db2.gz YTFUJJXMMGQNTI-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997771952 743801185 /nfs/dbraw/zinc/80/11/85/743801185.db2.gz JTUKPDMGPROLED-HUUCEWRRSA-N 1 1 335.408 0.722 20 5 ECBDMO Cn1nc(C2CC2)nc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983653377 745000354 /nfs/dbraw/zinc/00/03/54/745000354.db2.gz IRWFODDIOWIBEH-OJAKKHQRSA-N 1 1 348.407 0.342 20 5 ECBDMO Cc1nc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002789976 747789710 /nfs/dbraw/zinc/78/97/10/747789710.db2.gz ZPNWXXQYIDEIRK-ZIAGYGMSSA-N 1 1 336.396 0.141 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431461 747998306 /nfs/dbraw/zinc/99/83/06/747998306.db2.gz PFLODOPUSFZNCE-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[N@H+](CC(=O)N1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431461 747998309 /nfs/dbraw/zinc/99/83/09/747998309.db2.gz PFLODOPUSFZNCE-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431461 747998310 /nfs/dbraw/zinc/99/83/10/747998310.db2.gz PFLODOPUSFZNCE-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCC1CCCCC1 ZINC001126936974 756769180 /nfs/dbraw/zinc/76/91/80/756769180.db2.gz ZIFMSOKIWVFHAM-ZIAGYGMSSA-N 1 1 340.424 0.444 20 5 ECBDMO COc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814534 757082564 /nfs/dbraw/zinc/08/25/64/757082564.db2.gz QGNLKCNEOJMSBE-AYRXBEOTSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1cccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814534 757082570 /nfs/dbraw/zinc/08/25/70/757082570.db2.gz QGNLKCNEOJMSBE-AYRXBEOTSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1cccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814534 757082579 /nfs/dbraw/zinc/08/25/79/757082579.db2.gz QGNLKCNEOJMSBE-AYRXBEOTSA-N 1 1 346.387 0.646 20 5 ECBDMO CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996430046 757658895 /nfs/dbraw/zinc/65/88/95/757658895.db2.gz YXCVQROTOZHWNM-CHWSQXEVSA-N 1 1 336.396 0.352 20 5 ECBDMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001049123147 758035140 /nfs/dbraw/zinc/03/51/40/758035140.db2.gz ZXUYTWUIFVQAFI-BETUJISGSA-N 1 1 342.359 0.917 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)NC/C=C/CNc1ncccc1[N+](=O)[O-] ZINC001107253456 758051233 /nfs/dbraw/zinc/05/12/33/758051233.db2.gz FFYSGMZERVNWGF-OWOJBTEDSA-N 1 1 349.391 0.796 20 5 ECBDMO C/C=C(\C)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055553641 769100724 /nfs/dbraw/zinc/10/07/24/769100724.db2.gz PLIQTDZKHMAPLI-TYPLZORXSA-N 1 1 338.408 0.315 20 5 ECBDMO CNC(=O)NCCC(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001267679877 838239143 /nfs/dbraw/zinc/23/91/43/838239143.db2.gz CROJKBCHZDYFMN-UHFFFAOYSA-N 1 1 349.391 0.462 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000131276200 529509561 /nfs/dbraw/zinc/50/95/61/529509561.db2.gz WCEYPBJHGVVLLN-NSHDSACASA-N 1 1 347.375 1.000 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000426460465 210149922 /nfs/dbraw/zinc/14/99/22/210149922.db2.gz OYIJRVVVDJUJSP-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000426460465 210149926 /nfs/dbraw/zinc/14/99/26/210149926.db2.gz OYIJRVVVDJUJSP-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000068606479 215323326 /nfs/dbraw/zinc/32/33/26/215323326.db2.gz NXVQQFPLNZARQT-UHFFFAOYSA-N 1 1 349.391 0.459 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@H]32)n1 ZINC000355376387 299245651 /nfs/dbraw/zinc/24/56/51/299245651.db2.gz XQFBIJIUTIZSNP-DGCLKSJQSA-N 1 1 337.380 0.746 20 5 ECBDMO NC(=O)[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000268456176 283356303 /nfs/dbraw/zinc/35/63/03/283356303.db2.gz CKGRAPMTJZEVCM-SSDOTTSWSA-N 1 1 330.142 0.016 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459787380 211860472 /nfs/dbraw/zinc/86/04/72/211860472.db2.gz CBODTVRGEOLENZ-WCQYABFASA-N 1 1 325.321 0.545 20 5 ECBDMO C[C@](O)(CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C[NH+]1CCOCC1 ZINC000447685844 211200120 /nfs/dbraw/zinc/20/01/20/211200120.db2.gz BLVODNRQDVLARF-HNNXBMFYSA-N 1 1 335.364 0.388 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000092842554 218175701 /nfs/dbraw/zinc/17/57/01/218175701.db2.gz GJKWMGBSAOFLRG-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000092842554 218175704 /nfs/dbraw/zinc/17/57/04/218175704.db2.gz GJKWMGBSAOFLRG-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000444386799 211075680 /nfs/dbraw/zinc/07/56/80/211075680.db2.gz FYAGEMSCKKPQDC-SNVBAGLBSA-N 1 1 337.380 0.489 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000444386799 211075686 /nfs/dbraw/zinc/07/56/86/211075686.db2.gz FYAGEMSCKKPQDC-SNVBAGLBSA-N 1 1 337.380 0.489 20 5 ECBDMO COC(=O)CNC(=O)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000419348955 209066648 /nfs/dbraw/zinc/06/66/48/209066648.db2.gz SSMDPBWHTIHSRH-CQSZACIVSA-N 1 1 335.360 0.891 20 5 ECBDMO COC(=O)CNC(=O)[C@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000419348955 209066649 /nfs/dbraw/zinc/06/66/49/209066649.db2.gz SSMDPBWHTIHSRH-CQSZACIVSA-N 1 1 335.360 0.891 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188821476 165002210 /nfs/dbraw/zinc/00/22/10/165002210.db2.gz PMCWDPUBXBESHO-NSHDSACASA-N 1 1 339.396 0.323 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188821476 165002211 /nfs/dbraw/zinc/00/22/11/165002211.db2.gz PMCWDPUBXBESHO-NSHDSACASA-N 1 1 339.396 0.323 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245535899 165107794 /nfs/dbraw/zinc/10/77/94/165107794.db2.gz KYBCLOKRZRQSKT-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000245535899 165107796 /nfs/dbraw/zinc/10/77/96/165107796.db2.gz KYBCLOKRZRQSKT-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248857828 165189292 /nfs/dbraw/zinc/18/92/92/165189292.db2.gz RLVJOEQEXHAPFD-ZRJCITRHSA-N 1 1 338.364 0.426 20 5 ECBDMO COCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000174853737 263151487 /nfs/dbraw/zinc/15/14/87/263151487.db2.gz DVDJJXHESXLQNJ-GFCCVEGCSA-N 1 1 346.409 0.317 20 5 ECBDMO COCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000174853737 263151488 /nfs/dbraw/zinc/15/14/88/263151488.db2.gz DVDJJXHESXLQNJ-GFCCVEGCSA-N 1 1 346.409 0.317 20 5 ECBDMO COc1ccc(OCC[N@@H+](C)CC(C)(CO)CO)c([N+](=O)[O-])c1 ZINC000269881940 263210436 /nfs/dbraw/zinc/21/04/36/263210436.db2.gz AQIGYSINZFMHCU-UHFFFAOYSA-N 1 1 328.365 0.905 20 5 ECBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000274640915 263490893 /nfs/dbraw/zinc/49/08/93/263490893.db2.gz VHBCNEYMVCEQQN-LBPRGKRZSA-N 1 1 335.408 0.933 20 5 ECBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(=O)N1CCCC1 ZINC000282519637 264049355 /nfs/dbraw/zinc/04/93/55/264049355.db2.gz SZLLZVMAOGFJFW-UHFFFAOYSA-N 1 1 348.403 0.808 20 5 ECBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NCC(=O)N1CCCC1 ZINC000282519637 264049359 /nfs/dbraw/zinc/04/93/59/264049359.db2.gz SZLLZVMAOGFJFW-UHFFFAOYSA-N 1 1 348.403 0.808 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000282725647 264059770 /nfs/dbraw/zinc/05/97/70/264059770.db2.gz CGCMPRHFJHQHBU-VHSXEESVSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000282725647 264059771 /nfs/dbraw/zinc/05/97/71/264059771.db2.gz CGCMPRHFJHQHBU-VHSXEESVSA-N 1 1 340.355 0.843 20 5 ECBDMO Cc1nocc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000293578574 264894911 /nfs/dbraw/zinc/89/49/11/264894911.db2.gz NNJAXKQNXQTLIU-UHFFFAOYSA-N 1 1 340.361 0.959 20 5 ECBDMO CO[C@@H](C)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420973078 274055203 /nfs/dbraw/zinc/05/52/03/274055203.db2.gz LSTBEIOKFCNLMX-NSHDSACASA-N 1 1 331.394 0.840 20 5 ECBDMO Cc1nc(N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000450270898 274841319 /nfs/dbraw/zinc/84/13/19/274841319.db2.gz UXFCVRNWBFXRGW-LBPRGKRZSA-N 1 1 334.380 0.436 20 5 ECBDMO C[C@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000338377319 297262664 /nfs/dbraw/zinc/26/26/64/297262664.db2.gz GXELKGAJRNRAQX-LBPRGKRZSA-N 1 1 336.392 0.662 20 5 ECBDMO C[C@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000338377319 297262665 /nfs/dbraw/zinc/26/26/65/297262665.db2.gz GXELKGAJRNRAQX-LBPRGKRZSA-N 1 1 336.392 0.662 20 5 ECBDMO Cc1n[nH]c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000338879784 297305130 /nfs/dbraw/zinc/30/51/30/297305130.db2.gz HGEHEXLDJNXSHT-UHFFFAOYSA-N 1 1 333.352 0.759 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346814513 298347802 /nfs/dbraw/zinc/34/78/02/298347802.db2.gz IXVRJFAUAOGFEO-ZWNOBZJWSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000346814513 298347805 /nfs/dbraw/zinc/34/78/05/298347805.db2.gz IXVRJFAUAOGFEO-ZWNOBZJWSA-N 1 1 346.343 0.424 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363781325 300293481 /nfs/dbraw/zinc/29/34/81/300293481.db2.gz XQNVVNOJRURFSF-CYBMUJFWSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363781325 300293485 /nfs/dbraw/zinc/29/34/85/300293485.db2.gz XQNVVNOJRURFSF-CYBMUJFWSA-N 1 1 329.378 0.727 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000372720357 301022067 /nfs/dbraw/zinc/02/20/67/301022067.db2.gz AYAGJDPBGRAWBW-HUUCEWRRSA-N 1 1 334.376 0.848 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000373280338 301056236 /nfs/dbraw/zinc/05/62/36/301056236.db2.gz KLFDJSLPQFWTIX-JSGCOSHPSA-N 1 1 337.376 0.935 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCCNC1=O ZINC000373280339 301056370 /nfs/dbraw/zinc/05/63/70/301056370.db2.gz KLFDJSLPQFWTIX-OCCSQVGLSA-N 1 1 337.376 0.935 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375325729 301167665 /nfs/dbraw/zinc/16/76/65/301167665.db2.gz AFCRTIHZZCZZOJ-OLZOCXBDSA-N 1 1 333.348 0.873 20 5 ECBDMO Cc1noc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000075645988 436170686 /nfs/dbraw/zinc/17/06/86/436170686.db2.gz HCMKVJWISWZVMN-AAEUAGOBSA-N 1 1 336.352 0.723 20 5 ECBDMO CCOC(=O)c1ccnc(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000077966320 436259072 /nfs/dbraw/zinc/25/90/72/436259072.db2.gz HAKOFWNXXVDRHC-NSHDSACASA-N 1 1 337.380 0.824 20 5 ECBDMO CCOC(=O)c1ccnc(NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000077966320 436259076 /nfs/dbraw/zinc/25/90/76/436259076.db2.gz HAKOFWNXXVDRHC-NSHDSACASA-N 1 1 337.380 0.824 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000090552713 436432419 /nfs/dbraw/zinc/43/24/19/436432419.db2.gz VVWSWNGUJXZPOC-QWHCGFSZSA-N 1 1 325.390 0.963 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554346 436433371 /nfs/dbraw/zinc/43/33/71/436433371.db2.gz NMEDWBLPIZEAGW-HNNXBMFYSA-N 1 1 349.435 0.468 20 5 ECBDMO COc1ccccc1[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000048313061 436448576 /nfs/dbraw/zinc/44/85/76/436448576.db2.gz BKOMKVKEGWOUEG-LBPRGKRZSA-N 1 1 348.363 0.614 20 5 ECBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003678 436426198 /nfs/dbraw/zinc/42/61/98/436426198.db2.gz RWHZIGKHXSBAMQ-ZFWWWQNUSA-N 1 1 348.407 0.840 20 5 ECBDMO C[NH+]1CCN(CC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000109951170 436627005 /nfs/dbraw/zinc/62/70/05/436627005.db2.gz QWQQFWILAFQITQ-UHFFFAOYSA-N 1 1 347.419 0.491 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000532716855 302081931 /nfs/dbraw/zinc/08/19/31/302081931.db2.gz CCEXGOPIRHNKIU-UHFFFAOYSA-N 1 1 338.364 0.998 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC[N@@H+]4CCOC[C@H]4C3)c([N+](=O)[O-])cc12 ZINC000541624520 302186124 /nfs/dbraw/zinc/18/61/24/302186124.db2.gz LBFRLROLRRAEMY-SNVBAGLBSA-N 1 1 331.332 0.764 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC[N@H+]4CCOC[C@H]4C3)c([N+](=O)[O-])cc12 ZINC000541624520 302186126 /nfs/dbraw/zinc/18/61/26/302186126.db2.gz LBFRLROLRRAEMY-SNVBAGLBSA-N 1 1 331.332 0.764 20 5 ECBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247197668 436789655 /nfs/dbraw/zinc/78/96/55/436789655.db2.gz BYOLTKYUVCLIGX-ZIAGYGMSSA-N 1 1 339.396 0.485 20 5 ECBDMO CNC(=O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000293375298 436871259 /nfs/dbraw/zinc/87/12/59/436871259.db2.gz ZKWABNPGIGBGMT-UHFFFAOYSA-N 1 1 332.364 0.729 20 5 ECBDMO CCOCCO[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000157646739 436831700 /nfs/dbraw/zinc/83/17/00/436831700.db2.gz XTCXBTDBCNTZCH-KBPBESRZSA-N 1 1 328.369 0.280 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[NH+](C[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000280828452 436924229 /nfs/dbraw/zinc/92/42/29/436924229.db2.gz OUMFMPQHJDATMI-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+]1CC=CCC1 ZINC000280347554 436884565 /nfs/dbraw/zinc/88/45/65/436884565.db2.gz WIRQTBOVZYRHSB-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+]1CC=CCC1 ZINC000280347554 436884568 /nfs/dbraw/zinc/88/45/68/436884568.db2.gz WIRQTBOVZYRHSB-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO C[NH2+][C@@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000262029275 436901024 /nfs/dbraw/zinc/90/10/24/436901024.db2.gz DVSSWZVBHFHWPZ-CQSZACIVSA-N 1 1 333.348 0.914 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000275130084 436927825 /nfs/dbraw/zinc/92/78/25/436927825.db2.gz BNYJMDHGFZVVSX-CYBMUJFWSA-N 1 1 349.347 0.599 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000171127802 436967920 /nfs/dbraw/zinc/96/79/20/436967920.db2.gz OCMIJOKIMXMZCJ-UHFFFAOYSA-N 1 1 329.328 0.807 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000281242993 436956245 /nfs/dbraw/zinc/95/62/45/436956245.db2.gz UPKSDIYZHWODOZ-KRWDZBQOSA-N 1 1 346.387 0.942 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000275587711 436986974 /nfs/dbraw/zinc/98/69/74/436986974.db2.gz DGMGKWXAIGEAKW-CYBMUJFWSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000275587711 436986976 /nfs/dbraw/zinc/98/69/76/436986976.db2.gz DGMGKWXAIGEAKW-CYBMUJFWSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000275668887 436998051 /nfs/dbraw/zinc/99/80/51/436998051.db2.gz NXHRFTSZZCAXEQ-UHFFFAOYSA-N 1 1 345.421 0.635 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000275668887 436998055 /nfs/dbraw/zinc/99/80/55/436998055.db2.gz NXHRFTSZZCAXEQ-UHFFFAOYSA-N 1 1 345.421 0.635 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264731511 437074020 /nfs/dbraw/zinc/07/40/20/437074020.db2.gz GTSLFSIEOYJSNX-GFCCVEGCSA-N 1 1 337.380 0.971 20 5 ECBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515677 437085487 /nfs/dbraw/zinc/08/54/87/437085487.db2.gz NVBVDPBBYOXBIM-QWHCGFSZSA-N 1 1 336.392 0.993 20 5 ECBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174850021 437089042 /nfs/dbraw/zinc/08/90/42/437089042.db2.gz OJVVJQDAMZXPGP-UHFFFAOYSA-N 1 1 347.423 0.959 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000265349442 437108775 /nfs/dbraw/zinc/10/87/75/437108775.db2.gz BLLZVNPHPZHEPG-UHFFFAOYSA-N 1 1 338.364 0.536 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000276769727 437158726 /nfs/dbraw/zinc/15/87/26/437158726.db2.gz KVVLIKUJFGPESG-AWEZNQCLSA-N 1 1 340.376 0.808 20 5 ECBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684643 437117915 /nfs/dbraw/zinc/11/79/15/437117915.db2.gz CNWRMEFJBYKCAM-YPMHNXCESA-N 1 1 341.368 0.363 20 5 ECBDMO COCC[N@@H+](C)CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000277158859 437197916 /nfs/dbraw/zinc/19/79/16/437197916.db2.gz SINAKCRVJFVRMM-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266943189 437268509 /nfs/dbraw/zinc/26/85/09/437268509.db2.gz XENMFNDJDPMLTF-LLVKDONJSA-N 1 1 331.398 0.195 20 5 ECBDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266943189 437268511 /nfs/dbraw/zinc/26/85/11/437268511.db2.gz XENMFNDJDPMLTF-LLVKDONJSA-N 1 1 331.398 0.195 20 5 ECBDMO CC(C)OCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000266832730 437250140 /nfs/dbraw/zinc/25/01/40/437250140.db2.gz ILGCJXFIXFZFEI-UHFFFAOYSA-N 1 1 337.380 0.636 20 5 ECBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334005372 437293391 /nfs/dbraw/zinc/29/33/91/437293391.db2.gz RAZSXRSIWWJNDP-NWDGAFQWSA-N 1 1 334.376 0.876 20 5 ECBDMO CC[C@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000182199038 437342887 /nfs/dbraw/zinc/34/28/87/437342887.db2.gz IJRMQIKYEBYTCV-ZDUSSCGKSA-N 1 1 329.378 0.612 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278799341 437345218 /nfs/dbraw/zinc/34/52/18/437345218.db2.gz QWKCAPYSGFXOLA-PHIMTYICSA-N 1 1 325.390 0.996 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000290224142 437472595 /nfs/dbraw/zinc/47/25/95/437472595.db2.gz VIMOLZXMWCZNFS-UHFFFAOYSA-N 1 1 326.401 0.133 20 5 ECBDMO CN(CCCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1)CC[NH+](C)C ZINC000290224142 437472600 /nfs/dbraw/zinc/47/26/00/437472600.db2.gz VIMOLZXMWCZNFS-UHFFFAOYSA-N 1 1 326.401 0.133 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C[C@@H](C)O ZINC000289846926 437444156 /nfs/dbraw/zinc/44/41/56/437444156.db2.gz PKTUIVFZYXLPEK-LLVKDONJSA-N 1 1 341.364 0.607 20 5 ECBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289870341 437446831 /nfs/dbraw/zinc/44/68/31/437446831.db2.gz QSFQTTOYYPQYGX-SECBINFHSA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289870341 437446834 /nfs/dbraw/zinc/44/68/34/437446834.db2.gz QSFQTTOYYPQYGX-SECBINFHSA-N 1 1 331.756 0.862 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289987935 437454524 /nfs/dbraw/zinc/45/45/24/437454524.db2.gz YCPVDHOWEXLJBI-SNVBAGLBSA-N 1 1 327.337 0.217 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289987935 437454528 /nfs/dbraw/zinc/45/45/28/437454528.db2.gz YCPVDHOWEXLJBI-SNVBAGLBSA-N 1 1 327.337 0.217 20 5 ECBDMO C[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH+](C)CC1 ZINC000188563850 437557261 /nfs/dbraw/zinc/55/72/61/437557261.db2.gz BRDOMICCKDBNDQ-CYBMUJFWSA-N 1 1 348.403 0.820 20 5 ECBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330675931 437587801 /nfs/dbraw/zinc/58/78/01/437587801.db2.gz SUSLZRMYTJPFLD-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330675931 437587806 /nfs/dbraw/zinc/58/78/06/437587806.db2.gz SUSLZRMYTJPFLD-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO O=C(C[N@@H+]1CCCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363435714 437793290 /nfs/dbraw/zinc/79/32/90/437793290.db2.gz BNNDBVGEAJFVQK-UHFFFAOYSA-N 1 1 348.403 0.966 20 5 ECBDMO O=C(C[N@H+]1CCCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363435714 437793296 /nfs/dbraw/zinc/79/32/96/437793296.db2.gz BNNDBVGEAJFVQK-UHFFFAOYSA-N 1 1 348.403 0.966 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370548311 437802270 /nfs/dbraw/zinc/80/22/70/437802270.db2.gz UZOYGIYODNULFZ-CHWSQXEVSA-N 1 1 337.380 0.551 20 5 ECBDMO Cc1nc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365274255 437885788 /nfs/dbraw/zinc/88/57/88/437885788.db2.gz ARUCBJXUIQAEBV-YPMHNXCESA-N 1 1 336.352 0.723 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578968 437960666 /nfs/dbraw/zinc/96/06/66/437960666.db2.gz HCPUFSGLUUFQJB-VXGBXAGGSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578968 437960667 /nfs/dbraw/zinc/96/06/67/437960667.db2.gz HCPUFSGLUUFQJB-VXGBXAGGSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578965 437960858 /nfs/dbraw/zinc/96/08/58/437960858.db2.gz HCPUFSGLUUFQJB-NEPJUHHUSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578965 437960859 /nfs/dbraw/zinc/96/08/59/437960859.db2.gz HCPUFSGLUUFQJB-NEPJUHHUSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000342521805 438023759 /nfs/dbraw/zinc/02/37/59/438023759.db2.gz SDYYYVSRGYTLLJ-GFCCVEGCSA-N 1 1 347.331 0.159 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000342521805 438023765 /nfs/dbraw/zinc/02/37/65/438023765.db2.gz SDYYYVSRGYTLLJ-GFCCVEGCSA-N 1 1 347.331 0.159 20 5 ECBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425048640 438009822 /nfs/dbraw/zinc/00/98/22/438009822.db2.gz OMGAXKMJPJQZNG-DZGCQCFKSA-N 1 1 346.387 0.877 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358209594 438181676 /nfs/dbraw/zinc/18/16/76/438181676.db2.gz IBVJAPHUMBBBFT-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358210960 438183226 /nfs/dbraw/zinc/18/32/26/438183226.db2.gz JXVOYPPVQLDUFO-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO C[C@@H]1C[N@H+](C)C[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229854 438186657 /nfs/dbraw/zinc/18/66/57/438186657.db2.gz XQUVLAKLFRMDMB-RISCZKNCSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229854 438186663 /nfs/dbraw/zinc/18/66/63/438186663.db2.gz XQUVLAKLFRMDMB-RISCZKNCSA-N 1 1 342.421 0.413 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680550 438324657 /nfs/dbraw/zinc/32/46/57/438324657.db2.gz QDLUQGCGKHJMJW-NEPJUHHUSA-N 1 1 332.360 0.991 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006356 438337050 /nfs/dbraw/zinc/33/70/50/438337050.db2.gz VCRGHOQIBUBDCQ-RYUDHWBXSA-N 1 1 326.353 0.283 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368240342 438304259 /nfs/dbraw/zinc/30/42/59/438304259.db2.gz IWUJJLRDNIMAME-UTUOFQBUSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368240342 438304261 /nfs/dbraw/zinc/30/42/61/438304261.db2.gz IWUJJLRDNIMAME-UTUOFQBUSA-N 1 1 332.360 0.990 20 5 ECBDMO C[N@@H+](CCN1CCOC(C)(C)C1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000434708389 438318088 /nfs/dbraw/zinc/31/80/88/438318088.db2.gz ROHFWIFKUDRMRQ-CQSZACIVSA-N 1 1 341.412 0.195 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000368594792 438352075 /nfs/dbraw/zinc/35/20/75/438352075.db2.gz XLNWTCBSQZWYRE-IUODEOHRSA-N 1 1 346.387 0.877 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000352082944 438379556 /nfs/dbraw/zinc/37/95/56/438379556.db2.gz KLTBUCANAAXFNM-HRCADAONSA-N 1 1 346.387 0.715 20 5 ECBDMO CN1CCO[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000352082944 438379562 /nfs/dbraw/zinc/37/95/62/438379562.db2.gz KLTBUCANAAXFNM-HRCADAONSA-N 1 1 346.387 0.715 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000388284064 438424787 /nfs/dbraw/zinc/42/47/87/438424787.db2.gz SDEXONXJCDZJKG-QMMMGPOBSA-N 1 1 337.174 0.493 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359581284 438462091 /nfs/dbraw/zinc/46/20/91/438462091.db2.gz WRMXASHOBNUNSR-SWLSCSKDSA-N 1 1 326.349 0.418 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000370055583 438547799 /nfs/dbraw/zinc/54/77/99/438547799.db2.gz KPWREGZPOSMPKR-CQSZACIVSA-N 1 1 336.440 0.930 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452348354 438653565 /nfs/dbraw/zinc/65/35/65/438653565.db2.gz LHBNJMWOJNIBRM-LLVKDONJSA-N 1 1 339.396 0.847 20 5 ECBDMO Nc1c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc(F)cc1[N+](=O)[O-] ZINC000452352678 438653689 /nfs/dbraw/zinc/65/36/89/438653689.db2.gz SMLNSTQQAXDIHU-NSHDSACASA-N 1 1 340.355 0.893 20 5 ECBDMO C[C@@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000494029171 438666371 /nfs/dbraw/zinc/66/63/71/438666371.db2.gz VGWLREWDSUZQHB-TZMCWYRMSA-N 1 1 344.375 0.966 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452391084 438659762 /nfs/dbraw/zinc/65/97/62/438659762.db2.gz PLEPUTGUMUVFJT-CQSZACIVSA-N 1 1 337.376 0.937 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455685906 438751553 /nfs/dbraw/zinc/75/15/53/438751553.db2.gz SLWHGWPDDZYATQ-NSHDSACASA-N 1 1 337.380 0.824 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](CCOC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455685906 438751555 /nfs/dbraw/zinc/75/15/55/438751555.db2.gz SLWHGWPDDZYATQ-NSHDSACASA-N 1 1 337.380 0.824 20 5 ECBDMO CN1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000576101366 438768948 /nfs/dbraw/zinc/76/89/48/438768948.db2.gz RFVRNYXECXDSOI-JTQLQIEISA-N 1 1 327.362 0.189 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595662339 438841073 /nfs/dbraw/zinc/84/10/73/438841073.db2.gz LCAQYYNRPAORCL-SWLSCSKDSA-N 1 1 349.343 0.404 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C(N)=O)CCOCC2)c1 ZINC000595728399 438852228 /nfs/dbraw/zinc/85/22/28/438852228.db2.gz NKKGDVSSDBVSKB-UHFFFAOYSA-N 1 1 337.332 0.506 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590011908 438897444 /nfs/dbraw/zinc/89/74/44/438897444.db2.gz MUZCOKDNWJRZIW-GXFFZTMASA-N 1 1 348.359 0.898 20 5 ECBDMO C[C@H]1CN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865352 438880164 /nfs/dbraw/zinc/88/01/64/438880164.db2.gz XTCINFALKTYALA-ZFWWWQNUSA-N 1 1 341.412 0.243 20 5 ECBDMO NC(=O)c1cccc2c1CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595901867 438881116 /nfs/dbraw/zinc/88/11/16/438881116.db2.gz BFNVFCZRFWTOEC-CYBMUJFWSA-N 1 1 345.359 0.309 20 5 ECBDMO NC(=O)c1cccc2c1CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595901867 438881124 /nfs/dbraw/zinc/88/11/24/438881124.db2.gz BFNVFCZRFWTOEC-CYBMUJFWSA-N 1 1 345.359 0.309 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589925736 438891507 /nfs/dbraw/zinc/89/15/07/438891507.db2.gz PDBIMKJJFWZXAE-ZYHUDNBSSA-N 1 1 341.389 0.928 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590447261 438925857 /nfs/dbraw/zinc/92/58/57/438925857.db2.gz WZTCRVGMQRHMHX-IUODEOHRSA-N 1 1 342.359 0.952 20 5 ECBDMO O=[N+]([O-])c1cc2c(cc1CNCC[NH+]1CCC(O)CC1)OCCO2 ZINC000590662233 438945903 /nfs/dbraw/zinc/94/59/03/438945903.db2.gz ZJHGDRPATKJYMC-UHFFFAOYSA-N 1 1 337.376 0.912 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000596241875 438946625 /nfs/dbraw/zinc/94/66/25/438946625.db2.gz JCBBCONHHGNFKA-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517404563 438965856 /nfs/dbraw/zinc/96/58/56/438965856.db2.gz PWISSGAMNVLYBM-JTQLQIEISA-N 1 1 337.332 0.774 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000566066300 439000568 /nfs/dbraw/zinc/00/05/68/439000568.db2.gz LQNVHBJUZLRRRJ-CHWSQXEVSA-N 1 1 328.394 0.360 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000566066300 439000574 /nfs/dbraw/zinc/00/05/74/439000574.db2.gz LQNVHBJUZLRRRJ-CHWSQXEVSA-N 1 1 328.394 0.360 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000566066303 439001354 /nfs/dbraw/zinc/00/13/54/439001354.db2.gz LQNVHBJUZLRRRJ-STQMWFEESA-N 1 1 328.394 0.360 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000566066303 439001356 /nfs/dbraw/zinc/00/13/56/439001356.db2.gz LQNVHBJUZLRRRJ-STQMWFEESA-N 1 1 328.394 0.360 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602804563 439137712 /nfs/dbraw/zinc/13/77/12/439137712.db2.gz JHNYSRPOTMYMGO-NSHDSACASA-N 1 1 325.369 0.398 20 5 ECBDMO COC(=O)[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000602840660 439141955 /nfs/dbraw/zinc/14/19/55/439141955.db2.gz OYZBMQWVRRLETB-LBPRGKRZSA-N 1 1 325.369 0.136 20 5 ECBDMO COC(=O)[C@H]1CN(C)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602840660 439141960 /nfs/dbraw/zinc/14/19/60/439141960.db2.gz OYZBMQWVRRLETB-LBPRGKRZSA-N 1 1 325.369 0.136 20 5 ECBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602840660 439141966 /nfs/dbraw/zinc/14/19/66/439141966.db2.gz OYZBMQWVRRLETB-LBPRGKRZSA-N 1 1 325.369 0.136 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000487454220 439149759 /nfs/dbraw/zinc/14/97/59/439149759.db2.gz JNMYTLRVTVPYRU-JTQLQIEISA-N 1 1 343.330 0.941 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1CO ZINC000602904776 439157676 /nfs/dbraw/zinc/15/76/76/439157676.db2.gz LPZRTAOOLFOEJM-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1CO ZINC000602904776 439157680 /nfs/dbraw/zinc/15/76/80/439157680.db2.gz LPZRTAOOLFOEJM-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602904776 439157683 /nfs/dbraw/zinc/15/76/83/439157683.db2.gz LPZRTAOOLFOEJM-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597943983 439202459 /nfs/dbraw/zinc/20/24/59/439202459.db2.gz BJFZAYQQUBZYPX-AWEZNQCLSA-N 1 1 334.376 0.877 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598601569 439284882 /nfs/dbraw/zinc/28/48/82/439284882.db2.gz UHKITWICZCDVLI-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000568839827 439282955 /nfs/dbraw/zinc/28/29/55/439282955.db2.gz YOFGMISAYVBMAG-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000568839827 439282960 /nfs/dbraw/zinc/28/29/60/439282960.db2.gz YOFGMISAYVBMAG-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000598188639 439238443 /nfs/dbraw/zinc/23/84/43/439238443.db2.gz WBXBJZCXBYMIIN-UHFFFAOYSA-N 1 1 338.364 0.392 20 5 ECBDMO CC[N@@H+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@@H]1C ZINC000598608364 439288192 /nfs/dbraw/zinc/28/81/92/439288192.db2.gz RUBUTCRARJXEKY-LBPRGKRZSA-N 1 1 336.396 0.752 20 5 ECBDMO CC[N@H+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@@H]1C ZINC000598608364 439288195 /nfs/dbraw/zinc/28/81/95/439288195.db2.gz RUBUTCRARJXEKY-LBPRGKRZSA-N 1 1 336.396 0.752 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604278248 439305310 /nfs/dbraw/zinc/30/53/10/439305310.db2.gz XWMOGHBCSRQVGI-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604278248 439305312 /nfs/dbraw/zinc/30/53/12/439305312.db2.gz XWMOGHBCSRQVGI-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000604278225 439305658 /nfs/dbraw/zinc/30/56/58/439305658.db2.gz UTXIQMDPARSVEJ-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604278225 439305662 /nfs/dbraw/zinc/30/56/62/439305662.db2.gz UTXIQMDPARSVEJ-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000599109012 439359702 /nfs/dbraw/zinc/35/97/02/439359702.db2.gz YZVLHWUJXZPNKV-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593384919 439375884 /nfs/dbraw/zinc/37/58/84/439375884.db2.gz XBXARTRTXSLPGW-OAHLLOKOSA-N 1 1 334.376 0.598 20 5 ECBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593384919 439375892 /nfs/dbraw/zinc/37/58/92/439375892.db2.gz XBXARTRTXSLPGW-OAHLLOKOSA-N 1 1 334.376 0.598 20 5 ECBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854765 439477394 /nfs/dbraw/zinc/47/73/94/439477394.db2.gz DEKKEBCDRBLITP-LLVKDONJSA-N 1 1 335.316 0.215 20 5 ECBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854765 439477398 /nfs/dbraw/zinc/47/73/98/439477398.db2.gz DEKKEBCDRBLITP-LLVKDONJSA-N 1 1 335.316 0.215 20 5 ECBDMO O=C1[C@H]([NH+]2C[C@@H](CO)[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599531196 439499336 /nfs/dbraw/zinc/49/93/36/439499336.db2.gz MKFAXFDATKAJFS-SLEUVZQESA-N 1 1 335.360 0.233 20 5 ECBDMO Cn1cnnc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594022331 439508546 /nfs/dbraw/zinc/50/85/46/439508546.db2.gz FOBZRSHCKHKHLP-UHFFFAOYSA-N 1 1 332.364 0.924 20 5 ECBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108448 439516310 /nfs/dbraw/zinc/51/63/10/439516310.db2.gz VQXZHILNVRIYIH-UTUOFQBUSA-N 1 1 325.369 0.405 20 5 ECBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108448 439516315 /nfs/dbraw/zinc/51/63/15/439516315.db2.gz VQXZHILNVRIYIH-UTUOFQBUSA-N 1 1 325.369 0.405 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609450281 439569085 /nfs/dbraw/zinc/56/90/85/439569085.db2.gz DSDQLDMWOYOLSZ-JTQLQIEISA-N 1 1 328.394 0.643 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609450281 439569089 /nfs/dbraw/zinc/56/90/89/439569089.db2.gz DSDQLDMWOYOLSZ-JTQLQIEISA-N 1 1 328.394 0.643 20 5 ECBDMO COc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939530 439580105 /nfs/dbraw/zinc/58/01/05/439580105.db2.gz WKMPWQQLCZLDAN-QWHCGFSZSA-N 1 1 335.360 0.885 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938655 439580216 /nfs/dbraw/zinc/58/02/16/439580216.db2.gz CSDVDJZDJWUCCC-UONOGXRCSA-N 1 1 349.387 0.950 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599939245 439580743 /nfs/dbraw/zinc/58/07/43/439580743.db2.gz UCDIXCIOGBDUEL-OLZOCXBDSA-N 1 1 335.360 0.885 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599938600 439581883 /nfs/dbraw/zinc/58/18/83/439581883.db2.gz QMCDZRXWUOIZFN-CHWSQXEVSA-N 1 1 335.360 0.885 20 5 ECBDMO O=[N+]([O-])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nc1-c1ccccn1 ZINC000594732784 439596742 /nfs/dbraw/zinc/59/67/42/439596742.db2.gz NIDNJHKDSQJYJK-LBPRGKRZSA-N 1 1 333.348 0.546 20 5 ECBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000594769743 439607453 /nfs/dbraw/zinc/60/74/53/439607453.db2.gz CZDHPKPUJCCQMW-JQWIXIFHSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000594769743 439607457 /nfs/dbraw/zinc/60/74/57/439607457.db2.gz CZDHPKPUJCCQMW-JQWIXIFHSA-N 1 1 326.378 0.705 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000610390306 439612904 /nfs/dbraw/zinc/61/29/04/439612904.db2.gz JFSQXZDMIMJTFW-INIZCTEOSA-N 1 1 332.360 0.959 20 5 ECBDMO Cc1c[nH]c(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000594919114 439641826 /nfs/dbraw/zinc/64/18/26/439641826.db2.gz XFBNFPNIEQWOBN-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000573754614 439664213 /nfs/dbraw/zinc/66/42/13/439664213.db2.gz IGHAWFMDQHUPPK-WFASDCNBSA-N 1 1 337.376 0.907 20 5 ECBDMO Cc1noc(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000595399320 439721182 /nfs/dbraw/zinc/72/11/82/439721182.db2.gz ZGQGKYUWBMKEMU-LBPRGKRZSA-N 1 1 337.380 0.805 20 5 ECBDMO CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614895607 439789814 /nfs/dbraw/zinc/78/98/14/439789814.db2.gz WNMDRHUGBWQAOW-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO CC1(C)CN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614895607 439789815 /nfs/dbraw/zinc/78/98/15/439789815.db2.gz WNMDRHUGBWQAOW-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000340231166 321026169 /nfs/dbraw/zinc/02/61/69/321026169.db2.gz LCCDKGLAIQBEAF-UHFFFAOYSA-N 1 1 339.396 0.043 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000563941881 322354637 /nfs/dbraw/zinc/35/46/37/322354637.db2.gz MGGQGSZZSGMMKN-UHFFFAOYSA-N 1 1 337.424 0.937 20 5 ECBDMO C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2noc(C[NH3+])n2)C1=O ZINC000570803457 322700141 /nfs/dbraw/zinc/70/01/41/322700141.db2.gz TVIXHDSXMKESLJ-AWEZNQCLSA-N 1 1 346.303 0.404 20 5 ECBDMO Cc1c(C(=O)NCC(F)(F)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000190295610 533782348 /nfs/dbraw/zinc/78/23/48/533782348.db2.gz UNQKDFQDHCPLDF-UHFFFAOYSA-N 1 1 340.290 0.808 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000184342484 528552118 /nfs/dbraw/zinc/55/21/18/528552118.db2.gz LDBKYTJNUMTKHG-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO CCc1[nH]nc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000266563657 535997105 /nfs/dbraw/zinc/99/71/05/535997105.db2.gz JTIHSVOXTKWFAE-UHFFFAOYSA-N 1 1 338.412 0.590 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619497310 546334559 /nfs/dbraw/zinc/33/45/59/546334559.db2.gz FYYKLHGQARJPOU-UHFFFAOYSA-N 1 1 347.393 0.196 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000751292754 579365426 /nfs/dbraw/zinc/36/54/26/579365426.db2.gz AUOYPSACYDOANK-UHFFFAOYSA-N 1 1 348.403 0.966 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736145463 578410902 /nfs/dbraw/zinc/41/09/02/578410902.db2.gz CAVPGHBIGUOLSE-WDEREUQCSA-N 1 1 347.379 0.666 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736862217 578458739 /nfs/dbraw/zinc/45/87/39/578458739.db2.gz AJZRCCSSDLDCPX-LLVKDONJSA-N 1 1 332.368 0.433 20 5 ECBDMO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000737002416 578471823 /nfs/dbraw/zinc/47/18/23/578471823.db2.gz APKMFNJMAKYMDJ-SNVBAGLBSA-N 1 1 348.367 0.327 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000782853887 578734143 /nfs/dbraw/zinc/73/41/43/578734143.db2.gz NCLSELNWGWLHIM-LBPRGKRZSA-N 1 1 334.376 0.796 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000782853887 578734144 /nfs/dbraw/zinc/73/41/44/578734144.db2.gz NCLSELNWGWLHIM-LBPRGKRZSA-N 1 1 334.376 0.796 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000784503879 578753132 /nfs/dbraw/zinc/75/31/32/578753132.db2.gz AOZSZNOGBAHFPA-JTQLQIEISA-N 1 1 339.352 0.038 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000793652680 578933261 /nfs/dbraw/zinc/93/32/61/578933261.db2.gz BXKMFRSWGPRXBV-ITGUQSILSA-N 1 1 345.311 0.499 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000793652680 578933263 /nfs/dbraw/zinc/93/32/63/578933263.db2.gz BXKMFRSWGPRXBV-ITGUQSILSA-N 1 1 345.311 0.499 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859013 579321868 /nfs/dbraw/zinc/32/18/68/579321868.db2.gz OMBWLXOSILUJOZ-WCQYABFASA-N 1 1 339.396 0.920 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859013 579321869 /nfs/dbraw/zinc/32/18/69/579321869.db2.gz OMBWLXOSILUJOZ-WCQYABFASA-N 1 1 339.396 0.920 20 5 ECBDMO COc1cccc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896546603 586251854 /nfs/dbraw/zinc/25/18/54/586251854.db2.gz YHXBXQMPRJGOLI-WCQYABFASA-N 1 1 336.392 0.968 20 5 ECBDMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899876107 586510671 /nfs/dbraw/zinc/51/06/71/586510671.db2.gz MMIZZAHULQDOJX-INIZCTEOSA-N 1 1 332.360 0.850 20 5 ECBDMO CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000903031354 586766288 /nfs/dbraw/zinc/76/62/88/586766288.db2.gz BQZLNPXBUMHOTB-UHFFFAOYSA-N 1 1 349.391 0.239 20 5 ECBDMO CN1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000903031354 586766290 /nfs/dbraw/zinc/76/62/90/586766290.db2.gz BQZLNPXBUMHOTB-UHFFFAOYSA-N 1 1 349.391 0.239 20 5 ECBDMO O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839521155 586859536 /nfs/dbraw/zinc/85/95/36/586859536.db2.gz NZLKJEHQPSEONY-HZPDHXFCSA-N 1 1 332.404 0.980 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000805760161 586937948 /nfs/dbraw/zinc/93/79/48/586937948.db2.gz GCDDHVASMSMFSO-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843994550 589085885 /nfs/dbraw/zinc/08/58/85/589085885.db2.gz NSCAVIRYSDNVHY-CYBMUJFWSA-N 1 1 334.376 0.552 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843994550 589085886 /nfs/dbraw/zinc/08/58/86/589085886.db2.gz NSCAVIRYSDNVHY-CYBMUJFWSA-N 1 1 334.376 0.552 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808159306 587146230 /nfs/dbraw/zinc/14/62/30/587146230.db2.gz BUFZGNVTJIOLDO-KBPBESRZSA-N 1 1 348.403 0.942 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750492 587160795 /nfs/dbraw/zinc/16/07/95/587160795.db2.gz KQMSCKWUNKBFNQ-YGRLFVJLSA-N 1 1 341.339 0.738 20 5 ECBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCCn2cnc([N+](=O)[O-])n2)C1 ZINC000810607578 587199847 /nfs/dbraw/zinc/19/98/47/587199847.db2.gz SLHWPOHVDXYIDG-CYBMUJFWSA-N 1 1 329.332 0.942 20 5 ECBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCCn2cnc([N+](=O)[O-])n2)C1 ZINC000810607579 587200051 /nfs/dbraw/zinc/20/00/51/587200051.db2.gz SLHWPOHVDXYIDG-ZDUSSCGKSA-N 1 1 329.332 0.942 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C(C)(C)C1 ZINC000824060409 587852518 /nfs/dbraw/zinc/85/25/18/587852518.db2.gz PZHIEOIMTQZBAF-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000826159884 588002623 /nfs/dbraw/zinc/00/26/23/588002623.db2.gz WJYMDMRKJQMNED-NSHDSACASA-N 1 1 347.379 0.932 20 5 ECBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826500765 588064168 /nfs/dbraw/zinc/06/41/68/588064168.db2.gz LJBRYWZNZIKZRU-SNVBAGLBSA-N 1 1 346.351 0.081 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000829911341 588348036 /nfs/dbraw/zinc/34/80/36/588348036.db2.gz VXGMQTBVNHITQC-SLEUVZQESA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000829911341 588348038 /nfs/dbraw/zinc/34/80/38/588348038.db2.gz VXGMQTBVNHITQC-SLEUVZQESA-N 1 1 337.376 0.542 20 5 ECBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000845721428 589168102 /nfs/dbraw/zinc/16/81/02/589168102.db2.gz CPZZWRNJTPKZDY-CYBMUJFWSA-N 1 1 348.359 0.807 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589998 589594234 /nfs/dbraw/zinc/59/42/34/589594234.db2.gz LPZAKELRTVHAIT-OAHLLOKOSA-N 1 1 335.360 0.419 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1F ZINC000863318688 590002035 /nfs/dbraw/zinc/00/20/35/590002035.db2.gz UABLZPRLQLBJKA-SECBINFHSA-N 1 1 329.303 0.978 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c1F ZINC000863318688 590002038 /nfs/dbraw/zinc/00/20/38/590002038.db2.gz UABLZPRLQLBJKA-SECBINFHSA-N 1 1 329.303 0.978 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000924993528 611446877 /nfs/dbraw/zinc/44/68/77/611446877.db2.gz LRSXPQMDIKVWAS-ZIAGYGMSSA-N 1 1 348.403 0.990 20 5 ECBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000925401088 611478639 /nfs/dbraw/zinc/47/86/39/611478639.db2.gz VHVNURPVFFIBGX-GFCCVEGCSA-N 1 1 334.380 0.526 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@H](CO)C1 ZINC000931405342 611537001 /nfs/dbraw/zinc/53/70/01/611537001.db2.gz IWWRBHVOLBWEQU-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931405342 611537003 /nfs/dbraw/zinc/53/70/03/611537003.db2.gz IWWRBHVOLBWEQU-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931405342 611537004 /nfs/dbraw/zinc/53/70/04/611537004.db2.gz IWWRBHVOLBWEQU-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000931407659 611538278 /nfs/dbraw/zinc/53/82/78/611538278.db2.gz WLBFSPDTHSBUBQ-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1CO ZINC000931407659 611538281 /nfs/dbraw/zinc/53/82/81/611538281.db2.gz WLBFSPDTHSBUBQ-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@H](CO)C2)c1 ZINC000913553221 609690531 /nfs/dbraw/zinc/69/05/31/609690531.db2.gz DFLOXHZBBLCCAD-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)[C@H](CO)C2)c1 ZINC000913553221 609690533 /nfs/dbraw/zinc/69/05/33/609690533.db2.gz DFLOXHZBBLCCAD-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918369065 610004811 /nfs/dbraw/zinc/00/48/11/610004811.db2.gz PKLJYMKRNJVRSQ-OKILXGFUSA-N 1 1 340.405 0.952 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000929364223 611748572 /nfs/dbraw/zinc/74/85/72/611748572.db2.gz NCMPHCNADPXFOM-ZDUSSCGKSA-N 1 1 337.380 0.423 20 5 ECBDMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000955347395 612477777 /nfs/dbraw/zinc/47/77/77/612477777.db2.gz RQTULEIHUHDHHC-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955347395 612477779 /nfs/dbraw/zinc/47/77/79/612477779.db2.gz RQTULEIHUHDHHC-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000955347395 612477784 /nfs/dbraw/zinc/47/77/84/612477784.db2.gz RQTULEIHUHDHHC-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO O=C(Cc1nc[nH]n1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001026138675 740412489 /nfs/dbraw/zinc/41/24/89/740412489.db2.gz NRXROTRQNSRYEI-ATCWAGBWSA-N 1 1 342.359 0.502 20 5 ECBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000974110951 740946131 /nfs/dbraw/zinc/94/61/31/740946131.db2.gz JYZGRGDZDOSKCF-YVECIDJPSA-N 1 1 338.408 0.147 20 5 ECBDMO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000974110951 740946136 /nfs/dbraw/zinc/94/61/36/740946136.db2.gz JYZGRGDZDOSKCF-YVECIDJPSA-N 1 1 338.408 0.147 20 5 ECBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000974110951 740946139 /nfs/dbraw/zinc/94/61/39/740946139.db2.gz JYZGRGDZDOSKCF-YVECIDJPSA-N 1 1 338.408 0.147 20 5 ECBDMO Cn1ccc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)n1 ZINC000982278387 751849231 /nfs/dbraw/zinc/84/92/31/751849231.db2.gz ADNGKFGTSDYIMA-SRABZTEZSA-N 1 1 347.419 0.756 20 5 ECBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(CO)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983652954 744996708 /nfs/dbraw/zinc/99/67/08/744996708.db2.gz FIWAOHKOXCGVIQ-KLHDSHLOSA-N 1 1 333.388 0.829 20 5 ECBDMO Cc1cnc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985432935 747994227 /nfs/dbraw/zinc/99/42/27/747994227.db2.gz HASCRKFKLPOWAE-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1cnc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985432935 747994231 /nfs/dbraw/zinc/99/42/31/747994231.db2.gz HASCRKFKLPOWAE-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1cnc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985432935 747994237 /nfs/dbraw/zinc/99/42/37/747994237.db2.gz HASCRKFKLPOWAE-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428865 757655237 /nfs/dbraw/zinc/65/52/37/757655237.db2.gz JPKNFZFQWBEJDQ-CHWSQXEVSA-N 1 1 336.396 0.605 20 5 ECBDMO Cn1c(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nnc1C1CC1 ZINC000996430054 757658260 /nfs/dbraw/zinc/65/82/60/757658260.db2.gz ZAKOHOPAWAMEPM-CHWSQXEVSA-N 1 1 348.407 0.438 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001055851332 769970697 /nfs/dbraw/zinc/97/06/97/769970697.db2.gz WAJUYBJUXYHWND-UHFFFAOYSA-N 1 1 349.391 0.361 20 5 ECBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079744109 776788739 /nfs/dbraw/zinc/78/87/39/776788739.db2.gz RZFFQMCBSRKKNW-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001079744109 776788747 /nfs/dbraw/zinc/78/87/47/776788747.db2.gz RZFFQMCBSRKKNW-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001079744109 776788752 /nfs/dbraw/zinc/78/87/52/776788752.db2.gz RZFFQMCBSRKKNW-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO Cc1nccnc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725010 788651832 /nfs/dbraw/zinc/65/18/32/788651832.db2.gz HIKVGCVJCGJIJX-TZMCWYRMSA-N 1 1 331.376 0.485 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067389266 793076382 /nfs/dbraw/zinc/07/63/82/793076382.db2.gz WGQFAWSUJZEAAN-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389266 793076393 /nfs/dbraw/zinc/07/63/93/793076393.db2.gz WGQFAWSUJZEAAN-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389266 793076400 /nfs/dbraw/zinc/07/64/00/793076400.db2.gz WGQFAWSUJZEAAN-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO O=C([C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000174843849 231323698 /nfs/dbraw/zinc/32/36/98/231323698.db2.gz SCPVYVROUKFBDQ-AWEZNQCLSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000174843849 231323700 /nfs/dbraw/zinc/32/37/00/231323700.db2.gz SCPVYVROUKFBDQ-AWEZNQCLSA-N 1 1 337.380 0.505 20 5 ECBDMO C[N@@H+](CCN1CCOCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181744413 529911527 /nfs/dbraw/zinc/91/15/27/529911527.db2.gz AIYLWDWIOUJAKA-AWEZNQCLSA-N 1 1 339.392 0.599 20 5 ECBDMO C[C@@]1(O)CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000178025985 232063053 /nfs/dbraw/zinc/06/30/53/232063053.db2.gz JAIXSJKZIMFSJV-QGZVFWFLSA-N 1 1 348.403 0.700 20 5 ECBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355417538 299252333 /nfs/dbraw/zinc/25/23/33/299252333.db2.gz KCGXJNDPEPFJPY-AWEZNQCLSA-N 1 1 344.375 0.919 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000490699054 283314326 /nfs/dbraw/zinc/31/43/26/283314326.db2.gz CAKKYRCKJANLLU-DAXSKMNVSA-N 1 1 346.387 0.935 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000072767595 216304367 /nfs/dbraw/zinc/30/43/67/216304367.db2.gz HWLLRONQZCRLQL-OAHLLOKOSA-N 1 1 348.403 0.990 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264935836 247061229 /nfs/dbraw/zinc/06/12/29/247061229.db2.gz UJSWZUSTFGIWEQ-ZDUSSCGKSA-N 1 1 338.412 0.181 20 5 ECBDMO Cc1nn(C)c(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265164263 247261468 /nfs/dbraw/zinc/26/14/68/247261468.db2.gz WSWXKMSAUDMRJO-GFCCVEGCSA-N 1 1 338.412 0.991 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@@H]21 ZINC000450792819 211343201 /nfs/dbraw/zinc/34/32/01/211343201.db2.gz OIUFIOSMWDQYNK-RNCFNFMXSA-N 1 1 326.378 0.383 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413214266 208296334 /nfs/dbraw/zinc/29/63/34/208296334.db2.gz ZRXDXMZVIAMAMF-ZDUSSCGKSA-N 1 1 337.355 0.872 20 5 ECBDMO COC(=O)[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413502075 208335740 /nfs/dbraw/zinc/33/57/40/208335740.db2.gz PVPHFTYMDYFEKP-VIFPVBQESA-N 1 1 339.377 0.845 20 5 ECBDMO CCOc1cc(OC[C@@H](O)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000414130404 208395272 /nfs/dbraw/zinc/39/52/72/208395272.db2.gz WWWHWVBTKBIDDA-ZDUSSCGKSA-N 1 1 339.392 0.981 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117339297 221054475 /nfs/dbraw/zinc/05/44/75/221054475.db2.gz YCDYCOUSGIGALW-NSHDSACASA-N 1 1 334.332 0.843 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117339297 221054477 /nfs/dbraw/zinc/05/44/77/221054477.db2.gz YCDYCOUSGIGALW-NSHDSACASA-N 1 1 334.332 0.843 20 5 ECBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248857818 165189779 /nfs/dbraw/zinc/18/97/79/165189779.db2.gz RLVJOEQEXHAPFD-ASEORRQLSA-N 1 1 338.364 0.426 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000189348925 437593514 /nfs/dbraw/zinc/59/35/14/437593514.db2.gz AYUKZLINTQHOFV-CZUORRHYSA-N 1 1 348.403 0.699 20 5 ECBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000189429624 263163073 /nfs/dbraw/zinc/16/30/73/263163073.db2.gz LIPLCMUOYOWLTP-ZJUUUORDSA-N 1 1 326.275 0.397 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000270534863 263249389 /nfs/dbraw/zinc/24/93/89/263249389.db2.gz HDTHLNDPJZQGKG-INIZCTEOSA-N 1 1 346.391 0.365 20 5 ECBDMO CC(C)(C)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000182156524 273502282 /nfs/dbraw/zinc/50/22/82/273502282.db2.gz PISAIQPDEOOFAK-GFCCVEGCSA-N 1 1 343.405 0.858 20 5 ECBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405351 277118089 /nfs/dbraw/zinc/11/80/89/277118089.db2.gz RTNPHUBAQUWCPP-OAHLLOKOSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405351 277118090 /nfs/dbraw/zinc/11/80/90/277118090.db2.gz RTNPHUBAQUWCPP-OAHLLOKOSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C[C@@H]2C1 ZINC000192917929 277198302 /nfs/dbraw/zinc/19/83/02/277198302.db2.gz NHRMLTHFPNJOKY-AOOOYVTPSA-N 1 1 329.353 0.916 20 5 ECBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000343521271 437598201 /nfs/dbraw/zinc/59/82/01/437598201.db2.gz IVGJFGBUKKPLNY-GFCCVEGCSA-N 1 1 332.364 0.823 20 5 ECBDMO C[C@@H]1COCC[N@@H+]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502208 288344748 /nfs/dbraw/zinc/34/47/48/288344748.db2.gz DSAJRFAJPWUNSX-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H]1COCC[N@H+]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502208 288344749 /nfs/dbraw/zinc/34/47/49/288344749.db2.gz DSAJRFAJPWUNSX-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO O=C(CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH2+]CC1 ZINC000262280598 295474359 /nfs/dbraw/zinc/47/43/59/295474359.db2.gz ZFRZMLPVYOEHAK-UHFFFAOYSA-N 1 1 347.419 0.539 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000361118118 300063532 /nfs/dbraw/zinc/06/35/32/300063532.db2.gz SBQBJHUCOVCDKZ-UHFFFAOYSA-N 1 1 349.391 0.577 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361511566 300103437 /nfs/dbraw/zinc/10/34/37/300103437.db2.gz SXXFVYLRDJTKFN-MRVWCRGKSA-N 1 1 326.353 0.032 20 5 ECBDMO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362115301 300163887 /nfs/dbraw/zinc/16/38/87/300163887.db2.gz CDIOCSMFCAGZMY-LBPRGKRZSA-N 1 1 336.396 0.558 20 5 ECBDMO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362115301 300163889 /nfs/dbraw/zinc/16/38/89/300163889.db2.gz CDIOCSMFCAGZMY-LBPRGKRZSA-N 1 1 336.396 0.558 20 5 ECBDMO CC(C)NC(=O)CN1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363309608 300259838 /nfs/dbraw/zinc/25/98/38/300259838.db2.gz WDBMXIBVWWQTBA-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CC(C)NC(=O)C[N@@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363309608 300259843 /nfs/dbraw/zinc/25/98/43/300259843.db2.gz WDBMXIBVWWQTBA-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CC(C)NC(=O)C[N@H+]1CCCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000363309608 300259847 /nfs/dbraw/zinc/25/98/47/300259847.db2.gz WDBMXIBVWWQTBA-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000364068783 300322984 /nfs/dbraw/zinc/32/29/84/300322984.db2.gz DSZLFLXQTKMJRW-RYUDHWBXSA-N 1 1 337.380 0.308 20 5 ECBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691074 300378493 /nfs/dbraw/zinc/37/84/93/300378493.db2.gz PZUVEDGMWNDGHD-WHOFXGATSA-N 1 1 338.364 0.427 20 5 ECBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000074286542 436117640 /nfs/dbraw/zinc/11/76/40/436117640.db2.gz KBLRKNSUBFJXOA-UHFFFAOYSA-N 1 1 334.376 0.940 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000372720354 301021989 /nfs/dbraw/zinc/02/19/89/301021989.db2.gz AYAGJDPBGRAWBW-GJZGRUSLSA-N 1 1 334.376 0.848 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637732 301117632 /nfs/dbraw/zinc/11/76/32/301117632.db2.gz RZCPFUFEKBIVPQ-LOWDOPEQSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637732 301117634 /nfs/dbraw/zinc/11/76/34/301117634.db2.gz RZCPFUFEKBIVPQ-LOWDOPEQSA-N 1 1 338.364 0.975 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000075719174 436172445 /nfs/dbraw/zinc/17/24/45/436172445.db2.gz ZOYHNHZUWVKIDS-MXWKQRLJSA-N 1 1 338.286 0.540 20 5 ECBDMO COC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682893 436172745 /nfs/dbraw/zinc/17/27/45/436172745.db2.gz JAHBEBDNEHQXRA-YPMHNXCESA-N 1 1 326.353 0.570 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593345 301362777 /nfs/dbraw/zinc/36/27/77/301362777.db2.gz NNLILDLRTKTGSD-QWRGUYRKSA-N 1 1 337.380 0.863 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000109066965 436622177 /nfs/dbraw/zinc/62/21/77/436622177.db2.gz IBARJHGTMFRYMX-NXEZZACHSA-N 1 1 329.378 0.974 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387198 436711801 /nfs/dbraw/zinc/71/18/01/436711801.db2.gz KUPPXPOPGAPEGC-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387198 436711805 /nfs/dbraw/zinc/71/18/05/436711805.db2.gz KUPPXPOPGAPEGC-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000065693947 436670789 /nfs/dbraw/zinc/67/07/89/436670789.db2.gz WXKYJBWZLRDHPZ-CYBMUJFWSA-N 1 1 339.396 0.573 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCC(F)(F)F)C[C@H](O)CO)n1 ZINC000122212794 436733485 /nfs/dbraw/zinc/73/34/85/436733485.db2.gz DYNKLWDUQRWTJI-VIFPVBQESA-N 1 1 326.275 0.399 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO)n1 ZINC000122212794 436733486 /nfs/dbraw/zinc/73/34/86/436733486.db2.gz DYNKLWDUQRWTJI-VIFPVBQESA-N 1 1 326.275 0.399 20 5 ECBDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245466372 436763121 /nfs/dbraw/zinc/76/31/21/436763121.db2.gz RDXVWZLYGAECFY-YPMHNXCESA-N 1 1 335.364 0.333 20 5 ECBDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245466372 436763123 /nfs/dbraw/zinc/76/31/23/436763123.db2.gz RDXVWZLYGAECFY-YPMHNXCESA-N 1 1 335.364 0.333 20 5 ECBDMO COC(C[N@@H+](CCCO)C[C@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000273639123 436773001 /nfs/dbraw/zinc/77/30/01/436773001.db2.gz UJJHARMTEDCQHS-AWEZNQCLSA-N 1 1 328.365 0.932 20 5 ECBDMO COC(C[N@@H+](CCCO)C[C@@H](O)c1cccc([N+](=O)[O-])c1)OC ZINC000273639126 436773359 /nfs/dbraw/zinc/77/33/59/436773359.db2.gz UJJHARMTEDCQHS-CQSZACIVSA-N 1 1 328.365 0.932 20 5 ECBDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273906443 436787846 /nfs/dbraw/zinc/78/78/46/436787846.db2.gz ABZPMTNATQOYGF-GWCFXTLKSA-N 1 1 333.348 0.979 20 5 ECBDMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247458610 436794390 /nfs/dbraw/zinc/79/43/90/436794390.db2.gz ICZSUBJBDSQVIO-WCQYABFASA-N 1 1 325.369 0.130 20 5 ECBDMO CCc1n[nH]c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000274580930 436846118 /nfs/dbraw/zinc/84/61/18/436846118.db2.gz HLVLRLHQFZNXPY-NSHDSACASA-N 1 1 338.412 0.636 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261742950 302705134 /nfs/dbraw/zinc/70/51/34/302705134.db2.gz OCXWIMBPBLRGPO-CYBMUJFWSA-N 1 1 330.348 0.818 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000275035646 436913267 /nfs/dbraw/zinc/91/32/67/436913267.db2.gz PFQNTUCTGIBELJ-NSHDSACASA-N 1 1 334.376 0.982 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000135700211 436923222 /nfs/dbraw/zinc/92/32/22/436923222.db2.gz CUECRBXQKAMZFG-GFCCVEGCSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000135700211 436923228 /nfs/dbraw/zinc/92/32/28/436923228.db2.gz CUECRBXQKAMZFG-GFCCVEGCSA-N 1 1 343.409 0.291 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000263697635 436978684 /nfs/dbraw/zinc/97/86/84/436978684.db2.gz APJZLHQUGVZMRA-UHFFFAOYSA-N 1 1 339.348 0.689 20 5 ECBDMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000275134522 436929858 /nfs/dbraw/zinc/92/98/58/436929858.db2.gz CJNWUTOYIPCOOC-AWEZNQCLSA-N 1 1 345.359 0.541 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275153750 436932149 /nfs/dbraw/zinc/93/21/49/436932149.db2.gz SFYOLJXQCDXZRW-UHFFFAOYSA-N 1 1 338.364 0.614 20 5 ECBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284656675 437057350 /nfs/dbraw/zinc/05/73/50/437057350.db2.gz GFAYIODHOQROCP-GXTWGEPZSA-N 1 1 339.396 0.533 20 5 ECBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173578485 437057836 /nfs/dbraw/zinc/05/78/36/437057836.db2.gz BYOLTKYUVCLIGX-KBPBESRZSA-N 1 1 339.396 0.485 20 5 ECBDMO Cc1nc(CN2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)no1 ZINC000174850102 437089426 /nfs/dbraw/zinc/08/94/26/437089426.db2.gz GATCGDNKLHVBOG-UHFFFAOYSA-N 1 1 335.368 0.691 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000277160170 437197870 /nfs/dbraw/zinc/19/78/70/437197870.db2.gz DDKDBIZFBGMQDX-UHFFFAOYSA-N 1 1 336.392 0.971 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCO1 ZINC000277949717 437268222 /nfs/dbraw/zinc/26/82/22/437268222.db2.gz ILCJQANJEWBASB-LLVKDONJSA-N 1 1 338.364 0.926 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268167066 437377767 /nfs/dbraw/zinc/37/77/67/437377767.db2.gz RQEMAUJFIAEGLX-GFCCVEGCSA-N 1 1 338.339 0.804 20 5 ECBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000343096564 437503635 /nfs/dbraw/zinc/50/36/35/437503635.db2.gz FOWNCDKPZHDLPH-HNNXBMFYSA-N 1 1 333.392 0.513 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000290696997 437518394 /nfs/dbraw/zinc/51/83/94/437518394.db2.gz SDRXPLANLHJVJD-UHFFFAOYSA-N 1 1 326.401 0.284 20 5 ECBDMO CN(CCCN(C)C(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000290696997 437518401 /nfs/dbraw/zinc/51/84/01/437518401.db2.gz SDRXPLANLHJVJD-UHFFFAOYSA-N 1 1 326.401 0.284 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000360539860 437625392 /nfs/dbraw/zinc/62/53/92/437625392.db2.gz XMAOLIWDCOYIGB-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000360539860 437625398 /nfs/dbraw/zinc/62/53/98/437625398.db2.gz XMAOLIWDCOYIGB-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000331142691 437698110 /nfs/dbraw/zinc/69/81/10/437698110.db2.gz XQSDWLTVYTXECK-SNVBAGLBSA-N 1 1 343.330 0.941 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000331142691 437698115 /nfs/dbraw/zinc/69/81/15/437698115.db2.gz XQSDWLTVYTXECK-SNVBAGLBSA-N 1 1 343.330 0.941 20 5 ECBDMO O=C1NCCCC[C@H]1[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370356293 437771577 /nfs/dbraw/zinc/77/15/77/437771577.db2.gz ZNZBIQWKTCZQRO-CQSZACIVSA-N 1 1 336.396 0.078 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000356531312 437781580 /nfs/dbraw/zinc/78/15/80/437781580.db2.gz SMCKMRYDGNHQLH-UHFFFAOYSA-N 1 1 325.369 0.309 20 5 ECBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC[NH+](C)C ZINC000356531312 437781585 /nfs/dbraw/zinc/78/15/85/437781585.db2.gz SMCKMRYDGNHQLH-UHFFFAOYSA-N 1 1 325.369 0.309 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3[C@@H](CO)CC[C@H]3CO)o2)cc1 ZINC000347346311 437874076 /nfs/dbraw/zinc/87/40/76/437874076.db2.gz UBCQHABULGICLD-BETUJISGSA-N 1 1 334.332 0.962 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3[C@@H](CO)CC[C@H]3CO)o2)cc1 ZINC000347346311 437874082 /nfs/dbraw/zinc/87/40/82/437874082.db2.gz UBCQHABULGICLD-BETUJISGSA-N 1 1 334.332 0.962 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000347171015 437844622 /nfs/dbraw/zinc/84/46/22/437844622.db2.gz UKSFNGHZJLFUGY-GFCCVEGCSA-N 1 1 325.369 0.408 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365543493 437929881 /nfs/dbraw/zinc/92/98/81/437929881.db2.gz CQSODDPGRUBRCS-CFVMTHIKSA-N 1 1 346.387 0.699 20 5 ECBDMO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000416302137 437910299 /nfs/dbraw/zinc/91/02/99/437910299.db2.gz NLKYMKMGCZJNFL-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371285131 437911711 /nfs/dbraw/zinc/91/17/11/437911711.db2.gz XNYZQMMZSZDPRC-QWHCGFSZSA-N 1 1 337.380 0.469 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371285131 437911714 /nfs/dbraw/zinc/91/17/14/437911714.db2.gz XNYZQMMZSZDPRC-QWHCGFSZSA-N 1 1 337.380 0.469 20 5 ECBDMO Cn1c(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000341853208 437912409 /nfs/dbraw/zinc/91/24/09/437912409.db2.gz QPNKTWFNMDLNIU-LLVKDONJSA-N 1 1 337.380 0.251 20 5 ECBDMO COC(=O)Cn1cc(CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)nn1 ZINC000347781182 437959409 /nfs/dbraw/zinc/95/94/09/437959409.db2.gz GWBCHKNSJICTCI-UHFFFAOYSA-N 1 1 346.347 0.355 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365988676 437999391 /nfs/dbraw/zinc/99/93/91/437999391.db2.gz WOEIKANOJNCPPC-NSHDSACASA-N 1 1 325.394 0.441 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000424990579 438005454 /nfs/dbraw/zinc/00/54/54/438005454.db2.gz LQZXNAIEPQBETO-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000372279625 438063065 /nfs/dbraw/zinc/06/30/65/438063065.db2.gz AIUDNJIFJAITLR-YPMHNXCESA-N 1 1 326.353 0.834 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366439471 438075658 /nfs/dbraw/zinc/07/56/58/438075658.db2.gz NRPSNYDNLQHZDS-ICCXJUOJSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366439471 438075660 /nfs/dbraw/zinc/07/56/60/438075660.db2.gz NRPSNYDNLQHZDS-ICCXJUOJSA-N 1 1 346.343 0.516 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000358044486 438129400 /nfs/dbraw/zinc/12/94/00/438129400.db2.gz IRBCDWFDYRFDMN-OAHLLOKOSA-N 1 1 337.332 0.162 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000376432307 438280557 /nfs/dbraw/zinc/28/05/57/438280557.db2.gz DBNIVHCEHLXXHC-LLVKDONJSA-N 1 1 336.348 0.606 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000376432307 438280565 /nfs/dbraw/zinc/28/05/65/438280565.db2.gz DBNIVHCEHLXXHC-LLVKDONJSA-N 1 1 336.348 0.606 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000351566303 438290077 /nfs/dbraw/zinc/29/00/77/438290077.db2.gz DPOCBAPUHDEHHT-AOOOYVTPSA-N 1 1 336.323 0.692 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406791 438327103 /nfs/dbraw/zinc/32/71/03/438327103.db2.gz HMFRNGNUWJWLCP-GXTWGEPZSA-N 1 1 337.380 0.676 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406791 438327104 /nfs/dbraw/zinc/32/71/04/438327104.db2.gz HMFRNGNUWJWLCP-GXTWGEPZSA-N 1 1 337.380 0.676 20 5 ECBDMO C[N@H+]1CCCC12CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000368463342 438333104 /nfs/dbraw/zinc/33/31/04/438333104.db2.gz YSJHQKSFZXZOHN-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420635851 438417180 /nfs/dbraw/zinc/41/71/80/438417180.db2.gz MMVYGIKUVZISDA-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO COC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421026507 438462719 /nfs/dbraw/zinc/46/27/19/438462719.db2.gz RYHXOCXACHDLAK-LLVKDONJSA-N 1 1 331.394 0.840 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369463658 438480823 /nfs/dbraw/zinc/48/08/23/438480823.db2.gz LFFDYHBIBFXUGI-AWEZNQCLSA-N 1 1 348.359 0.942 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369463658 438480827 /nfs/dbraw/zinc/48/08/27/438480827.db2.gz LFFDYHBIBFXUGI-AWEZNQCLSA-N 1 1 348.359 0.942 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089962 438515984 /nfs/dbraw/zinc/51/59/84/438515984.db2.gz VCHKRZDMVCNGHB-MFKMUULPSA-N 1 1 346.343 0.295 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089962 438515988 /nfs/dbraw/zinc/51/59/88/438515988.db2.gz VCHKRZDMVCNGHB-MFKMUULPSA-N 1 1 346.343 0.295 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089960 438516501 /nfs/dbraw/zinc/51/65/01/438516501.db2.gz VCHKRZDMVCNGHB-GXFFZTMASA-N 1 1 346.343 0.295 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089960 438516504 /nfs/dbraw/zinc/51/65/04/438516504.db2.gz VCHKRZDMVCNGHB-GXFFZTMASA-N 1 1 346.343 0.295 20 5 ECBDMO COCCCNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489026 438553183 /nfs/dbraw/zinc/55/31/83/438553183.db2.gz PDYKSZPJOUOPAP-GFCCVEGCSA-N 1 1 337.380 0.629 20 5 ECBDMO COCCCNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489026 438553186 /nfs/dbraw/zinc/55/31/86/438553186.db2.gz PDYKSZPJOUOPAP-GFCCVEGCSA-N 1 1 337.380 0.629 20 5 ECBDMO Nc1c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000370161414 438556064 /nfs/dbraw/zinc/55/60/64/438556064.db2.gz KIMQILHRHZKQHB-JSGCOSHPSA-N 1 1 334.376 0.848 20 5 ECBDMO Cn1cc([C@H]2[C@H](CNc3ncc([N+](=O)[O-])c(N)n3)CCC[N@H+]2C)cn1 ZINC000370180374 438556956 /nfs/dbraw/zinc/55/69/56/438556956.db2.gz CCDUTXPUFQHXKF-GXFFZTMASA-N 1 1 346.395 0.617 20 5 ECBDMO Cn1cc([C@H](CO)[NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000494799581 438709940 /nfs/dbraw/zinc/70/99/40/438709940.db2.gz KJQVZCVULGQSND-GJZGRUSLSA-N 1 1 345.359 0.757 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457081309 438792493 /nfs/dbraw/zinc/79/24/93/438792493.db2.gz BJGBEKQSNVWHMK-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457081309 438792495 /nfs/dbraw/zinc/79/24/95/438792495.db2.gz BJGBEKQSNVWHMK-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO CCN1CC[NH+]([C@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000587972521 438810982 /nfs/dbraw/zinc/81/09/82/438810982.db2.gz PXPVDVAUPQSRQX-AWEZNQCLSA-N 1 1 349.435 0.886 20 5 ECBDMO C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1CC(C)(C)O ZINC000588027255 438814856 /nfs/dbraw/zinc/81/48/56/438814856.db2.gz YMOJFFNHASNYSA-LLVKDONJSA-N 1 1 338.408 0.951 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601129728 438820227 /nfs/dbraw/zinc/82/02/27/438820227.db2.gz ABRDKQOLTVYGQD-GFCCVEGCSA-N 1 1 337.355 0.872 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595662490 438843789 /nfs/dbraw/zinc/84/37/89/438843789.db2.gz NWYWJNNHZJFBNL-TVYUQYBPSA-N 1 1 337.332 0.842 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595742153 438854116 /nfs/dbraw/zinc/85/41/16/438854116.db2.gz OOLJOAUTZFFYLH-XPKDYRNWSA-N 1 1 349.387 0.935 20 5 ECBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601446335 438898401 /nfs/dbraw/zinc/89/84/01/438898401.db2.gz ZNGGDJPXXLUFCN-NSHDSACASA-N 1 1 326.378 0.705 20 5 ECBDMO COc1ccc(OCC[N@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])c1 ZINC000595798824 438862529 /nfs/dbraw/zinc/86/25/29/438862529.db2.gz HKHZMZUFOXEAOB-UHFFFAOYSA-N 1 1 326.349 0.659 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000515581156 438873564 /nfs/dbraw/zinc/87/35/64/438873564.db2.gz SOGVSEWTDGZELB-KYOSRNDESA-N 1 1 326.349 0.010 20 5 ECBDMO NC(=O)[C@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000596067323 438919984 /nfs/dbraw/zinc/91/99/84/438919984.db2.gz ZITXFCPWUSAUPL-MRVPVSSYSA-N 1 1 329.154 0.621 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590444199 438925449 /nfs/dbraw/zinc/92/54/49/438925449.db2.gz MCTOYAOKWDYNCG-DZGCQCFKSA-N 1 1 346.387 0.796 20 5 ECBDMO CN(CC(=O)NC[C@H]1C[N@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000590542019 438929477 /nfs/dbraw/zinc/92/94/77/438929477.db2.gz WFBLSBGOAJNGDR-AWEZNQCLSA-N 1 1 347.419 0.537 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1 ZINC000590563253 438931973 /nfs/dbraw/zinc/93/19/73/438931973.db2.gz SROIYDACMDEVPG-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000566761046 439087009 /nfs/dbraw/zinc/08/70/09/439087009.db2.gz CEDWGOMBHBZVOI-SWLSCSKDSA-N 1 1 337.376 0.907 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621845 439117424 /nfs/dbraw/zinc/11/74/24/439117424.db2.gz SRBLQARGWLSTRY-NWDGAFQWSA-N 1 1 326.353 0.871 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621845 439117430 /nfs/dbraw/zinc/11/74/30/439117430.db2.gz SRBLQARGWLSTRY-NWDGAFQWSA-N 1 1 326.353 0.871 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000567700597 439167886 /nfs/dbraw/zinc/16/78/86/439167886.db2.gz MYHWTSRRIROZIF-CQSZACIVSA-N 1 1 343.347 0.523 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000602816303 439140599 /nfs/dbraw/zinc/14/05/99/439140599.db2.gz UXXSLHFTEYOWKN-GFCCVEGCSA-N 1 1 325.413 0.877 20 5 ECBDMO CCN1C[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000581306097 439196854 /nfs/dbraw/zinc/19/68/54/439196854.db2.gz ONCDIEOVEBXTTC-NSHDSACASA-N 1 1 341.389 0.579 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604227459 439304033 /nfs/dbraw/zinc/30/40/33/439304033.db2.gz DZMOWYIDSXHMSZ-SNVBAGLBSA-N 1 1 336.348 0.752 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](Cc2ccccc2)C1 ZINC000593320239 439367178 /nfs/dbraw/zinc/36/71/78/439367178.db2.gz BNHYNOPTACTENQ-AWEZNQCLSA-N 1 1 344.375 0.572 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](Cc2ccccc2)C1 ZINC000593320239 439367184 /nfs/dbraw/zinc/36/71/84/439367184.db2.gz BNHYNOPTACTENQ-AWEZNQCLSA-N 1 1 344.375 0.572 20 5 ECBDMO Cn1c2cc(NCC[N@H+]3CC[C@@H](O)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599176730 439374210 /nfs/dbraw/zinc/37/42/10/439374210.db2.gz VDWBXKYXSBDVFK-SNVBAGLBSA-N 1 1 335.364 0.264 20 5 ECBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000599245125 439397151 /nfs/dbraw/zinc/39/71/51/439397151.db2.gz QJUXIWKXVZRZHR-NXEZZACHSA-N 1 1 331.398 0.432 20 5 ECBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599244981 439397423 /nfs/dbraw/zinc/39/74/23/439397423.db2.gz OUXZDVAZBRIHNS-GHMZBOCLSA-N 1 1 345.425 0.679 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000593665213 439443153 /nfs/dbraw/zinc/44/31/53/439443153.db2.gz DDPKWOJLDCECNC-UHFFFAOYSA-N 1 1 345.425 0.918 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856691 439478796 /nfs/dbraw/zinc/47/87/96/439478796.db2.gz ZKGIYWXFZUTQNV-GFCCVEGCSA-N 1 1 349.343 0.257 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856691 439478798 /nfs/dbraw/zinc/47/87/98/439478798.db2.gz ZKGIYWXFZUTQNV-GFCCVEGCSA-N 1 1 349.343 0.257 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC000571223475 439483768 /nfs/dbraw/zinc/48/37/68/439483768.db2.gz FUQAJYFBIOXQBR-NWDGAFQWSA-N 1 1 335.364 0.507 20 5 ECBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3nccnn3)CC2)cc1 ZINC000599510303 439495496 /nfs/dbraw/zinc/49/54/96/439495496.db2.gz VWMJWSVVUMAXCD-UHFFFAOYSA-N 1 1 330.348 0.981 20 5 ECBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287438 439535673 /nfs/dbraw/zinc/53/56/73/439535673.db2.gz AUMXQCYMSVKQIX-LLVKDONJSA-N 1 1 348.407 0.470 20 5 ECBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287438 439535677 /nfs/dbraw/zinc/53/56/77/439535677.db2.gz AUMXQCYMSVKQIX-LLVKDONJSA-N 1 1 348.407 0.470 20 5 ECBDMO CNc1nccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000594289994 439535750 /nfs/dbraw/zinc/53/57/50/439535750.db2.gz FQJPNJDRVPZWJM-STQMWFEESA-N 1 1 349.391 0.703 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000609306888 439562870 /nfs/dbraw/zinc/56/28/70/439562870.db2.gz IOORVTAFEGLVDD-LBPRGKRZSA-N 1 1 335.364 0.477 20 5 ECBDMO Cn1c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000609664621 439583888 /nfs/dbraw/zinc/58/38/88/439583888.db2.gz CNXFLSYCTCVVQV-ZDUSSCGKSA-N 1 1 335.408 0.785 20 5 ECBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000610296342 439609149 /nfs/dbraw/zinc/60/91/49/439609149.db2.gz AQDQPIDNSXYGAP-CQSZACIVSA-N 1 1 344.375 0.919 20 5 ECBDMO Cc1c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610705490 439641758 /nfs/dbraw/zinc/64/17/58/439641758.db2.gz AAIBHDZPWGZYTF-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600808043 439703959 /nfs/dbraw/zinc/70/39/59/439703959.db2.gz GRRPIGUJZDOBPE-NSHDSACASA-N 1 1 337.332 0.162 20 5 ECBDMO Cc1noc(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000595345217 439709284 /nfs/dbraw/zinc/70/92/84/439709284.db2.gz QVPVAARAPFHAQK-UHFFFAOYSA-N 1 1 332.382 0.747 20 5 ECBDMO Cc1noc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1[N+](=O)[O-] ZINC000595345217 439709285 /nfs/dbraw/zinc/70/92/85/439709285.db2.gz QVPVAARAPFHAQK-UHFFFAOYSA-N 1 1 332.382 0.747 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600530826 439674918 /nfs/dbraw/zinc/67/49/18/439674918.db2.gz AZMKJIZLQIIXJL-GFCCVEGCSA-N 1 1 345.359 0.577 20 5 ECBDMO CN(C)c1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc[nH+]1 ZINC000352008853 321345340 /nfs/dbraw/zinc/34/53/40/321345340.db2.gz RQWGTOUIYALHFW-UHFFFAOYSA-N 1 1 345.363 0.741 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3ccc([N+](=O)[O-])cn3)cn2)CC1 ZINC000352633798 321368122 /nfs/dbraw/zinc/36/81/22/321368122.db2.gz RZEUHTCJHGKYCF-UHFFFAOYSA-N 1 1 345.363 0.704 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000546718816 322120813 /nfs/dbraw/zinc/12/08/13/322120813.db2.gz DVMMFBZQUZRXPP-UHFFFAOYSA-N 1 1 325.365 0.576 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000555417275 322180719 /nfs/dbraw/zinc/18/07/19/322180719.db2.gz DRQJRSQRRGMVKR-LBPRGKRZSA-N 1 1 329.378 0.814 20 5 ECBDMO C[N@@H+](CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)C1CC1 ZINC000560329048 322233667 /nfs/dbraw/zinc/23/36/67/322233667.db2.gz SZVFQJPPFWUCQG-UHFFFAOYSA-N 1 1 346.387 0.690 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000183924463 528546102 /nfs/dbraw/zinc/54/61/02/528546102.db2.gz HROKTOIVLSOELU-UHFFFAOYSA-N 1 1 326.309 0.547 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264922968 536391741 /nfs/dbraw/zinc/39/17/41/536391741.db2.gz QFEZJVMVURJXGX-JTQLQIEISA-N 1 1 346.343 0.401 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416395694 546209133 /nfs/dbraw/zinc/20/91/33/546209133.db2.gz XGNMCMQZCGOXSQ-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416395694 546209137 /nfs/dbraw/zinc/20/91/37/546209137.db2.gz XGNMCMQZCGOXSQ-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000420935770 546214562 /nfs/dbraw/zinc/21/45/62/546214562.db2.gz KFRPQOIJYKVKLU-OLZOCXBDSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000420935770 546214565 /nfs/dbraw/zinc/21/45/65/546214565.db2.gz KFRPQOIJYKVKLU-OLZOCXBDSA-N 1 1 340.376 0.806 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251900 546310787 /nfs/dbraw/zinc/31/07/87/546310787.db2.gz ABOSTDVCNGEFLU-QWHCGFSZSA-N 1 1 325.344 0.826 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619498498 546335351 /nfs/dbraw/zinc/33/53/51/546335351.db2.gz NKZAONYBKZAIIY-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619498498 546335356 /nfs/dbraw/zinc/33/53/56/546335356.db2.gz NKZAONYBKZAIIY-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794969758 578602259 /nfs/dbraw/zinc/60/22/59/578602259.db2.gz BVWWTUMMAQCBRO-FJJYHAOUSA-N 1 1 336.344 0.685 20 5 ECBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000770235643 579163111 /nfs/dbraw/zinc/16/31/11/579163111.db2.gz IUBQOEZNSQMOIA-ABAIWWIYSA-N 1 1 347.375 0.780 20 5 ECBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000770235643 579163113 /nfs/dbraw/zinc/16/31/13/579163113.db2.gz IUBQOEZNSQMOIA-ABAIWWIYSA-N 1 1 347.375 0.780 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000779312291 579315070 /nfs/dbraw/zinc/31/50/70/579315070.db2.gz ZNKIKAMCGPNQMP-GFCCVEGCSA-N 1 1 347.375 0.470 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000779312291 579315071 /nfs/dbraw/zinc/31/50/71/579315071.db2.gz ZNKIKAMCGPNQMP-GFCCVEGCSA-N 1 1 347.375 0.470 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000762719867 579546712 /nfs/dbraw/zinc/54/67/12/579546712.db2.gz RWQSNYUPIIPVGP-OAHLLOKOSA-N 1 1 333.348 0.127 20 5 ECBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2nn[nH]n2)c1 ZINC000738373504 579625126 /nfs/dbraw/zinc/62/51/26/579625126.db2.gz DWCXUFACBKJVSU-ONGXEEELSA-N 1 1 346.351 0.445 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000746653874 579842881 /nfs/dbraw/zinc/84/28/81/579842881.db2.gz GIUANRIVJVYIJT-UHFFFAOYSA-N 1 1 347.335 0.917 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CN(C)CCN1C ZINC000896568998 586255256 /nfs/dbraw/zinc/25/52/56/586255256.db2.gz QYZZTXHPPOOONS-WCQYABFASA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@@H+]1C ZINC000896568998 586255259 /nfs/dbraw/zinc/25/52/59/586255259.db2.gz QYZZTXHPPOOONS-WCQYABFASA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CN(C)CC[N@H+]1C ZINC000896568998 586255260 /nfs/dbraw/zinc/25/52/60/586255260.db2.gz QYZZTXHPPOOONS-WCQYABFASA-N 1 1 338.412 0.240 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000907564241 586736171 /nfs/dbraw/zinc/73/61/71/586736171.db2.gz MEPNHJWGEGUDEZ-MFKMUULPSA-N 1 1 326.378 0.562 20 5 ECBDMO C[C@H](C[NH2+]C[C@H](O)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000905644934 586908033 /nfs/dbraw/zinc/90/80/33/586908033.db2.gz UUMMKBLGIZWYBG-CABCVRRESA-N 1 1 336.436 0.896 20 5 ECBDMO Cn1cnc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000808388688 587154413 /nfs/dbraw/zinc/15/44/13/587154413.db2.gz KBOLBWWIOSFTLG-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821623561 587607199 /nfs/dbraw/zinc/60/71/99/587607199.db2.gz NIYJOBIXXBPUDC-SNVBAGLBSA-N 1 1 332.368 0.948 20 5 ECBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000823506424 587724899 /nfs/dbraw/zinc/72/48/99/587724899.db2.gz OLLVQQDCZFEEKU-CQSZACIVSA-N 1 1 337.351 0.944 20 5 ECBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000823506424 587724901 /nfs/dbraw/zinc/72/49/01/587724901.db2.gz OLLVQQDCZFEEKU-CQSZACIVSA-N 1 1 337.351 0.944 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823812602 587744501 /nfs/dbraw/zinc/74/45/01/587744501.db2.gz NBMKWYKUEPONFZ-JKSUJKDBSA-N 1 1 349.387 0.951 20 5 ECBDMO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824302755 587866891 /nfs/dbraw/zinc/86/68/91/587866891.db2.gz DECYCEBJPLKEPC-ZJIFWQFVSA-N 1 1 331.372 0.976 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000826159289 588001914 /nfs/dbraw/zinc/00/19/14/588001914.db2.gz AGWKRYCBBKSGSB-LLVKDONJSA-N 1 1 347.379 0.932 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000827947662 588147989 /nfs/dbraw/zinc/14/79/89/588147989.db2.gz AFIOGPDLDNPSCL-LBPRGKRZSA-N 1 1 337.376 0.813 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000827947662 588147991 /nfs/dbraw/zinc/14/79/91/588147991.db2.gz AFIOGPDLDNPSCL-LBPRGKRZSA-N 1 1 337.376 0.813 20 5 ECBDMO C[C@@H]1[C@H](O)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000832220317 588475483 /nfs/dbraw/zinc/47/54/83/588475483.db2.gz TXVYSWIWBAUIBH-CZUORRHYSA-N 1 1 348.403 0.699 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cs1 ZINC000848487150 589297589 /nfs/dbraw/zinc/29/75/89/589297589.db2.gz QQXZSJWYVWKRMV-DTWKUNHWSA-N 1 1 333.391 0.096 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cs1 ZINC000848487150 589297590 /nfs/dbraw/zinc/29/75/90/589297590.db2.gz QQXZSJWYVWKRMV-DTWKUNHWSA-N 1 1 333.391 0.096 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854353878 589581312 /nfs/dbraw/zinc/58/13/12/589581312.db2.gz ILERFSBXGVLXKK-HUUCEWRRSA-N 1 1 334.376 0.134 20 5 ECBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858813003 589775557 /nfs/dbraw/zinc/77/55/57/589775557.db2.gz YAFGLFAKNNNCPS-CYBMUJFWSA-N 1 1 334.376 0.966 20 5 ECBDMO CNc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714160 589878362 /nfs/dbraw/zinc/87/83/62/589878362.db2.gz IOWANYUGDOTNRV-VXGBXAGGSA-N 1 1 334.376 0.918 20 5 ECBDMO C[NH+]1CCN(C2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000879070867 590562070 /nfs/dbraw/zinc/56/20/70/590562070.db2.gz AJPRFUNEKBUVFA-UHFFFAOYSA-N 1 1 348.407 0.655 20 5 ECBDMO C[NH+]1CCC(C(=O)NC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000946703433 611425671 /nfs/dbraw/zinc/42/56/71/611425671.db2.gz ZJKZXBSDNDBUKC-ZIAGYGMSSA-N 1 1 338.408 0.101 20 5 ECBDMO C[C@H]1[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@H+]1C ZINC000925316159 611468013 /nfs/dbraw/zinc/46/80/13/611468013.db2.gz XBQFDZWOLIGVQS-GXTWGEPZSA-N 1 1 348.407 0.914 20 5 ECBDMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775625 739944367 /nfs/dbraw/zinc/94/43/67/739944367.db2.gz JWFHWTGRBSGTNW-LJIZCISZSA-N 1 1 331.372 0.907 20 5 ECBDMO COc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775625 739944371 /nfs/dbraw/zinc/94/43/71/739944371.db2.gz JWFHWTGRBSGTNW-LJIZCISZSA-N 1 1 331.372 0.907 20 5 ECBDMO COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775625 739944375 /nfs/dbraw/zinc/94/43/75/739944375.db2.gz JWFHWTGRBSGTNW-LJIZCISZSA-N 1 1 331.372 0.907 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1cn[nH]n1 ZINC001025850749 740021285 /nfs/dbraw/zinc/02/12/85/740021285.db2.gz UJDYOXKUXBIWSW-IMRBUKKESA-N 1 1 328.332 0.573 20 5 ECBDMO Cc1nnsc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983653506 745000616 /nfs/dbraw/zinc/00/06/16/745000616.db2.gz JJDLGPDRJKLQAI-GWOFURMSSA-N 1 1 325.394 0.496 20 5 ECBDMO Cn1cc(CC[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001001401032 746341900 /nfs/dbraw/zinc/34/19/00/746341900.db2.gz XJJZXHXOUFGFNG-HUUCEWRRSA-N 1 1 335.408 0.456 20 5 ECBDMO Cn1cc(CC[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985425810 747980289 /nfs/dbraw/zinc/98/02/89/747980289.db2.gz JSPRBRNHRZIBDU-HUUCEWRRSA-N 1 1 335.408 0.551 20 5 ECBDMO Cn1cc(CC[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985425810 747980292 /nfs/dbraw/zinc/98/02/92/747980292.db2.gz JSPRBRNHRZIBDU-HUUCEWRRSA-N 1 1 335.408 0.551 20 5 ECBDMO Cn1cc(CC[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985425810 747980295 /nfs/dbraw/zinc/98/02/95/747980295.db2.gz JSPRBRNHRZIBDU-HUUCEWRRSA-N 1 1 335.408 0.551 20 5 ECBDMO Cn1ccc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001029964542 750114877 /nfs/dbraw/zinc/11/48/77/750114877.db2.gz OBFUKMFJNFQMQT-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO NC(=O)C1(C(=O)N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000981865031 751216049 /nfs/dbraw/zinc/21/60/49/751216049.db2.gz KWSCBHVDZNZDRW-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO NC(=O)C1(C(=O)N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000981865031 751216053 /nfs/dbraw/zinc/21/60/53/751216053.db2.gz KWSCBHVDZNZDRW-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO COc1c(F)cc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1F ZINC001126936804 756756543 /nfs/dbraw/zinc/75/65/43/756756543.db2.gz RTUNWJIHJOVUCB-BXKDBHETSA-N 1 1 329.303 0.844 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCCC1 ZINC001126939193 756804650 /nfs/dbraw/zinc/80/46/50/756804650.db2.gz QYLWLGRERGDVGY-CHWSQXEVSA-N 1 1 326.397 0.196 20 5 ECBDMO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001126943688 756914931 /nfs/dbraw/zinc/91/49/31/756914931.db2.gz TYSZCKDBRAERHY-ZIAGYGMSSA-N 1 1 334.376 0.411 20 5 ECBDMO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(F)c1 ZINC001126944005 756925745 /nfs/dbraw/zinc/92/57/45/756925745.db2.gz ZVMMZHVKSNRTLI-ZWNOBZJWSA-N 1 1 338.339 0.444 20 5 ECBDMO CCn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814600 757083635 /nfs/dbraw/zinc/08/36/35/757083635.db2.gz VBFBLIDROQWQSX-QKPAOTATSA-N 1 1 347.419 0.501 20 5 ECBDMO CCn1cc(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814600 757083642 /nfs/dbraw/zinc/08/36/42/757083642.db2.gz VBFBLIDROQWQSX-QKPAOTATSA-N 1 1 347.419 0.501 20 5 ECBDMO CCn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814600 757083645 /nfs/dbraw/zinc/08/36/45/757083645.db2.gz VBFBLIDROQWQSX-QKPAOTATSA-N 1 1 347.419 0.501 20 5 ECBDMO CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429640 757658476 /nfs/dbraw/zinc/65/84/76/757658476.db2.gz QOXZMIMVMZBTEV-TZMCWYRMSA-N 1 1 336.396 0.352 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2nccn2C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022061812 758223772 /nfs/dbraw/zinc/22/37/72/758223772.db2.gz WKVRJCJWIGAFQB-UTINFBMNSA-N 1 1 329.307 0.680 20 5 ECBDMO Cn1nccc1CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050517369 760413356 /nfs/dbraw/zinc/41/33/56/760413356.db2.gz QIKFSACLDBVBNZ-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cc1nonc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525297 760662622 /nfs/dbraw/zinc/66/26/22/760662622.db2.gz SVTCKGUHTIXUBA-WPLOAARJSA-N 1 1 349.391 0.902 20 5 ECBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2cnon2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048608083 760786885 /nfs/dbraw/zinc/78/68/85/760786885.db2.gz SIXFALSIHKVFNR-HBJVGIJOSA-N 1 1 337.380 0.747 20 5 ECBDMO CC1CCN(C(=O)C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001020138825 772205443 /nfs/dbraw/zinc/20/54/43/772205443.db2.gz CCKZVZWPYDAHIH-AAVRWANBSA-N 1 1 338.408 0.147 20 5 ECBDMO Cn1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC001020139354 772205968 /nfs/dbraw/zinc/20/59/68/772205968.db2.gz YVECYWSSDCFZLK-GWOFURMSSA-N 1 1 343.334 0.760 20 5 ECBDMO Cn1cc(C[NH+]2CCC3(CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cn1 ZINC001040700726 783296847 /nfs/dbraw/zinc/29/68/47/783296847.db2.gz PSVYJGWSLPAJTQ-HUUCEWRRSA-N 1 1 347.419 0.900 20 5 ECBDMO C[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266337936 835722334 /nfs/dbraw/zinc/72/23/34/835722334.db2.gz UDCKUQKVDXYCNX-UHFFFAOYSA-N 1 1 348.359 0.196 20 5 ECBDMO Cc1ccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001267371753 837272060 /nfs/dbraw/zinc/27/20/60/837272060.db2.gz SZXSGGKUHFQAAJ-UKRRQHHQSA-N 1 1 348.403 0.955 20 5 ECBDMO C[NH+](C)C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000122539874 282128293 /nfs/dbraw/zinc/12/82/93/282128293.db2.gz GWUCEWREBWOEIE-LLVKDONJSA-N 1 1 343.405 0.765 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000131576288 529384439 /nfs/dbraw/zinc/38/44/39/529384439.db2.gz LYKDYQGCLILYOL-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546060 210069882 /nfs/dbraw/zinc/06/98/82/210069882.db2.gz KMRAGTGKISLXDL-NEPJUHHUSA-N 1 1 333.348 0.942 20 5 ECBDMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1CC ZINC000356234613 299367818 /nfs/dbraw/zinc/36/78/18/299367818.db2.gz YWVCIUWUGQQQTI-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1CC ZINC000356234613 299367821 /nfs/dbraw/zinc/36/78/21/299367821.db2.gz YWVCIUWUGQQQTI-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000111269966 220129713 /nfs/dbraw/zinc/12/97/13/220129713.db2.gz XRKOIVAVFZZBCB-ZDUSSCGKSA-N 1 1 346.387 0.942 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000111269966 220129715 /nfs/dbraw/zinc/12/97/15/220129715.db2.gz XRKOIVAVFZZBCB-ZDUSSCGKSA-N 1 1 346.387 0.942 20 5 ECBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000080985386 217347336 /nfs/dbraw/zinc/34/73/36/217347336.db2.gz ZEWJKZDHFWRRQK-CYBMUJFWSA-N 1 1 336.348 0.998 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000265198739 247289469 /nfs/dbraw/zinc/28/94/69/247289469.db2.gz JAIXLQPZFBWUMI-GDBMZVCRSA-N 1 1 340.376 0.808 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000443341605 211009907 /nfs/dbraw/zinc/00/99/07/211009907.db2.gz CUOIHOVIUSFXAZ-NEPJUHHUSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000443341605 211009911 /nfs/dbraw/zinc/00/99/11/211009911.db2.gz CUOIHOVIUSFXAZ-NEPJUHHUSA-N 1 1 325.365 0.905 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](C)C1 ZINC000413895463 208366483 /nfs/dbraw/zinc/36/64/83/208366483.db2.gz FDBDYBWOPFQLMP-JTQLQIEISA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+](C)C1 ZINC000413895463 208366489 /nfs/dbraw/zinc/36/64/89/208366489.db2.gz FDBDYBWOPFQLMP-JTQLQIEISA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000413897548 208366974 /nfs/dbraw/zinc/36/69/74/208366974.db2.gz ANRIELHVIUWMHX-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000413897548 208366980 /nfs/dbraw/zinc/36/69/80/208366980.db2.gz ANRIELHVIUWMHX-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119554150 221346717 /nfs/dbraw/zinc/34/67/17/221346717.db2.gz ZZNLOIJLNVVBMF-JSGCOSHPSA-N 1 1 344.375 0.823 20 5 ECBDMO Cc1nccnc1N1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000374148934 135550498 /nfs/dbraw/zinc/55/04/98/135550498.db2.gz OASOUFFGRHPYJW-CQSZACIVSA-N 1 1 347.379 0.073 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000193666841 165059691 /nfs/dbraw/zinc/05/96/91/165059691.db2.gz WACNUTXFSIAPLU-GFCCVEGCSA-N 1 1 337.380 0.503 20 5 ECBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000247291737 165158964 /nfs/dbraw/zinc/15/89/64/165158964.db2.gz GLCIAVGDBHPFRK-GXTWGEPZSA-N 1 1 336.392 0.945 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000261964841 165270479 /nfs/dbraw/zinc/27/04/79/165270479.db2.gz AYEHVSOLEFYKLT-CYBMUJFWSA-N 1 1 348.407 0.298 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000261964841 165270483 /nfs/dbraw/zinc/27/04/83/165270483.db2.gz AYEHVSOLEFYKLT-CYBMUJFWSA-N 1 1 348.407 0.298 20 5 ECBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000122600629 222121215 /nfs/dbraw/zinc/12/12/15/222121215.db2.gz GLCIAVGDBHPFRK-OCCSQVGLSA-N 1 1 336.392 0.945 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000331734116 296963440 /nfs/dbraw/zinc/96/34/40/296963440.db2.gz RZCVOGGJLSLBJF-LBPRGKRZSA-N 1 1 337.380 0.513 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000282363474 264037952 /nfs/dbraw/zinc/03/79/52/264037952.db2.gz NKZLEFFOHYOSMG-XPTSAGLGSA-N 1 1 336.348 0.656 20 5 ECBDMO CN(C(=O)CN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000284830707 264243935 /nfs/dbraw/zinc/24/39/35/264243935.db2.gz MQLGHGURUVWBKB-JKSUJKDBSA-N 1 1 348.403 0.963 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000287088918 264438653 /nfs/dbraw/zinc/43/86/53/264438653.db2.gz YQBYFQNSUDNIMK-NSHDSACASA-N 1 1 338.364 0.588 20 5 ECBDMO C[C@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296725281 265113676 /nfs/dbraw/zinc/11/36/76/265113676.db2.gz NMJXHZLWNYITPF-LBPRGKRZSA-N 1 1 334.376 0.984 20 5 ECBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000298770340 265279830 /nfs/dbraw/zinc/27/98/30/265279830.db2.gz AETPHUIMCIIBGO-LBPRGKRZSA-N 1 1 333.344 0.979 20 5 ECBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000298770340 265279834 /nfs/dbraw/zinc/27/98/34/265279834.db2.gz AETPHUIMCIIBGO-LBPRGKRZSA-N 1 1 333.344 0.979 20 5 ECBDMO COCC(COC)[NH+]1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000413477307 274017196 /nfs/dbraw/zinc/01/71/96/274017196.db2.gz QDPQWBJZIDDMDJ-UHFFFAOYSA-N 1 1 327.385 0.420 20 5 ECBDMO NS(=O)(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000170905561 274954047 /nfs/dbraw/zinc/95/40/47/274954047.db2.gz AEPUCOFVFLZZCC-UHFFFAOYSA-N 1 1 328.394 0.395 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000189401356 437596318 /nfs/dbraw/zinc/59/63/18/437596318.db2.gz ZQGUHYLGMBNTPY-ZDUSSCGKSA-N 1 1 348.403 0.482 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193479292 277056367 /nfs/dbraw/zinc/05/63/67/277056367.db2.gz WLCUNEQJRRMZJN-CQSZACIVSA-N 1 1 333.392 0.920 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000371702653 277146768 /nfs/dbraw/zinc/14/67/68/277146768.db2.gz ZCBQZXSVQDCCMG-MFKMUULPSA-N 1 1 340.405 0.773 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000339042597 297316289 /nfs/dbraw/zinc/31/62/89/297316289.db2.gz UGCPGCSSRSKYSX-VIFPVBQESA-N 1 1 331.398 0.572 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](CC)C2CC2)c([N+](=O)[O-])n1 ZINC000339049340 297316643 /nfs/dbraw/zinc/31/66/43/297316643.db2.gz PWLUZGNJHPBHIV-UHFFFAOYSA-N 1 1 331.398 0.574 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344238169 297999670 /nfs/dbraw/zinc/99/96/70/297999670.db2.gz LSJJBSCZPPQISQ-UHFFFAOYSA-N 1 1 338.339 0.674 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000345968694 298204446 /nfs/dbraw/zinc/20/44/46/298204446.db2.gz SHVXACLMWYBTBC-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO CCOc1cc(N2CC[NH+]([C@H]3COC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000361396878 300089157 /nfs/dbraw/zinc/08/91/57/300089157.db2.gz VLZLLRSSYPXKQE-LSDHHAIUSA-N 1 1 337.376 0.875 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361522215 300104583 /nfs/dbraw/zinc/10/45/83/300104583.db2.gz AGAVLEGTFMXSEL-DZGCQCFKSA-N 1 1 340.380 0.422 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363104347 300246879 /nfs/dbraw/zinc/24/68/79/300246879.db2.gz OHXYCZGZVIIHIL-HIFRSBDPSA-N 1 1 335.360 0.953 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364618507 300372591 /nfs/dbraw/zinc/37/25/91/300372591.db2.gz YAAHOLKUGKPSKB-UHFFFAOYSA-N 1 1 339.396 0.487 20 5 ECBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691072 300378796 /nfs/dbraw/zinc/37/87/96/300378796.db2.gz PZUVEDGMWNDGHD-KYOSRNDESA-N 1 1 338.364 0.427 20 5 ECBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076669527 436212751 /nfs/dbraw/zinc/21/27/51/436212751.db2.gz RFEZXSZHWOVNLC-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076669527 436212755 /nfs/dbraw/zinc/21/27/55/436212755.db2.gz RFEZXSZHWOVNLC-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO NC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078404162 436267240 /nfs/dbraw/zinc/26/72/40/436267240.db2.gz XGFHUABQBWMQLE-LBPRGKRZSA-N 1 1 334.376 0.852 20 5 ECBDMO CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000081569247 436351455 /nfs/dbraw/zinc/35/14/55/436351455.db2.gz NWDVHAIYFMTKOK-HIFRSBDPSA-N 1 1 325.413 0.816 20 5 ECBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000083246456 436369966 /nfs/dbraw/zinc/36/99/66/436369966.db2.gz IKZRLENXLPKIHS-AWEZNQCLSA-N 1 1 339.392 0.599 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091482881 436450922 /nfs/dbraw/zinc/45/09/22/436450922.db2.gz FVHVBDMLPJEDRK-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000047434878 436418425 /nfs/dbraw/zinc/41/84/25/436418425.db2.gz DJYZSWAWTMPOQB-TXEJJXNPSA-N 1 1 325.369 0.407 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000053836013 436541105 /nfs/dbraw/zinc/54/11/05/436541105.db2.gz KQZMSPYYBHWDGC-ZDUSSCGKSA-N 1 1 330.348 0.702 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000053836013 436541110 /nfs/dbraw/zinc/54/11/10/436541110.db2.gz KQZMSPYYBHWDGC-ZDUSSCGKSA-N 1 1 330.348 0.702 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000108461976 436618709 /nfs/dbraw/zinc/61/87/09/436618709.db2.gz DJDKLRGBHXZWOM-LBPRGKRZSA-N 1 1 334.376 0.783 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000531633614 302060266 /nfs/dbraw/zinc/06/02/66/302060266.db2.gz JTYZYBZQWMTQCW-NSHDSACASA-N 1 1 335.364 0.307 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000194079700 436659599 /nfs/dbraw/zinc/65/95/99/436659599.db2.gz JJIPRDIXEYAHQP-LBPRGKRZSA-N 1 1 339.396 0.723 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274386291 436820515 /nfs/dbraw/zinc/82/05/15/436820515.db2.gz GFHHDBFUFBLLSE-CJNGLKHVSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274386291 436820517 /nfs/dbraw/zinc/82/05/17/436820517.db2.gz GFHHDBFUFBLLSE-CJNGLKHVSA-N 1 1 338.360 0.826 20 5 ECBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000249446562 436821799 /nfs/dbraw/zinc/82/17/99/436821799.db2.gz LIPLCMUOYOWLTP-NXEZZACHSA-N 1 1 326.275 0.397 20 5 ECBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247197645 436789330 /nfs/dbraw/zinc/78/93/30/436789330.db2.gz BYOLTKYUVCLIGX-KGLIPLIRSA-N 1 1 339.396 0.485 20 5 ECBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000293977380 436922937 /nfs/dbraw/zinc/92/29/37/436922937.db2.gz BVBMPCWLOKQHKC-CYBMUJFWSA-N 1 1 345.359 0.467 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c([N+](=O)[O-])c(C)nn3C)[C@H]2C1 ZINC000293963649 436924057 /nfs/dbraw/zinc/92/40/57/436924057.db2.gz UATFEJOSLPMOKG-NWDGAFQWSA-N 1 1 337.380 0.572 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000160714391 436877303 /nfs/dbraw/zinc/87/73/03/436877303.db2.gz HUDMMMDYCWQRKK-QWRGUYRKSA-N 1 1 339.396 0.946 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261694108 436882153 /nfs/dbraw/zinc/88/21/53/436882153.db2.gz JFFRXFQPHAKILC-AWEZNQCLSA-N 1 1 330.348 0.750 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261789650 436887733 /nfs/dbraw/zinc/88/77/33/436887733.db2.gz UFYQDDDQYPMMDT-CYBMUJFWSA-N 1 1 345.359 0.880 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632475 436909989 /nfs/dbraw/zinc/90/99/89/436909989.db2.gz DAEFKPBRVPVMDU-ZDUSSCGKSA-N 1 1 336.396 0.030 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281067529 436943615 /nfs/dbraw/zinc/94/36/15/436943615.db2.gz KORWMVLIFJMGIJ-WBMJQRKESA-N 1 1 337.376 0.793 20 5 ECBDMO C[N@@H+](C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000298111851 437028418 /nfs/dbraw/zinc/02/84/18/437028418.db2.gz OIWOWUPGTXPSGL-CQSZACIVSA-N 1 1 335.408 0.567 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263802663 436989240 /nfs/dbraw/zinc/98/92/40/436989240.db2.gz UEFVPDOUTCITNW-UHFFFAOYSA-N 1 1 339.348 0.674 20 5 ECBDMO CC[N@H+](CCOCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281924908 437007080 /nfs/dbraw/zinc/00/70/80/437007080.db2.gz CYMMSNOBOTYVJY-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO CC[N@@H+](CCOCCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000281924908 437007084 /nfs/dbraw/zinc/00/70/84/437007084.db2.gz CYMMSNOBOTYVJY-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO CCOC(=O)[C@H](CC)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263510 437080482 /nfs/dbraw/zinc/08/04/82/437080482.db2.gz PESHMBPOWIJYGY-KGLIPLIRSA-N 1 1 340.380 0.958 20 5 ECBDMO CCOC(=O)[C@H](CC)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263510 437080484 /nfs/dbraw/zinc/08/04/84/437080484.db2.gz PESHMBPOWIJYGY-KGLIPLIRSA-N 1 1 340.380 0.958 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)CCOCC(F)(F)F)c1 ZINC000266914487 437265951 /nfs/dbraw/zinc/26/59/51/437265951.db2.gz FHQCECDDTQBIAF-UHFFFAOYSA-N 1 1 326.275 0.665 20 5 ECBDMO O=C1C[C@@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858122 437350510 /nfs/dbraw/zinc/35/05/10/437350510.db2.gz KYUYBUJNUOAWDR-BBRMVZONSA-N 1 1 335.360 0.547 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1 ZINC000278962541 437361145 /nfs/dbraw/zinc/36/11/45/437361145.db2.gz YKYLLFGAMJSFGL-PHIMTYICSA-N 1 1 337.380 0.634 20 5 ECBDMO C[C@@H]1C[N@H+](CCN(C)c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1 ZINC000278962541 437361149 /nfs/dbraw/zinc/36/11/49/437361149.db2.gz YKYLLFGAMJSFGL-PHIMTYICSA-N 1 1 337.380 0.634 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135438 437377049 /nfs/dbraw/zinc/37/70/49/437377049.db2.gz WSLYRNNICQDPLU-SWLSCSKDSA-N 1 1 334.332 0.302 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186621052 437479335 /nfs/dbraw/zinc/47/93/35/437479335.db2.gz HWTZOGQYIOHKKA-CQSZACIVSA-N 1 1 346.387 0.940 20 5 ECBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186703274 437482109 /nfs/dbraw/zinc/48/21/09/437482109.db2.gz IEMUMCUDGRIMCF-OAHLLOKOSA-N 1 1 346.387 0.560 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290660970 437512783 /nfs/dbraw/zinc/51/27/83/437512783.db2.gz OHILIIVOEATOON-UHFFFAOYSA-N 1 1 326.401 0.494 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290660970 437512787 /nfs/dbraw/zinc/51/27/87/437512787.db2.gz OHILIIVOEATOON-UHFFFAOYSA-N 1 1 326.401 0.494 20 5 ECBDMO CN(CCCN(C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290734503 437523870 /nfs/dbraw/zinc/52/38/70/437523870.db2.gz WVMXOVUHPZWWSY-UHFFFAOYSA-N 1 1 339.396 0.651 20 5 ECBDMO C[C@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190833771 437639195 /nfs/dbraw/zinc/63/91/95/437639195.db2.gz GDAIPEQOXZISDJ-RYUDHWBXSA-N 1 1 325.365 0.621 20 5 ECBDMO C[C@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000190833771 437639202 /nfs/dbraw/zinc/63/92/02/437639202.db2.gz GDAIPEQOXZISDJ-RYUDHWBXSA-N 1 1 325.365 0.621 20 5 ECBDMO CCOC(=O)CC(C)(C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000343883233 437679514 /nfs/dbraw/zinc/67/95/14/437679514.db2.gz AACIZCVXXFINGU-GFCCVEGCSA-N 1 1 328.369 0.816 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000331082178 437684103 /nfs/dbraw/zinc/68/41/03/437684103.db2.gz YALMDNMZBUVLJS-MNOVXSKESA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)n1 ZINC000331082178 437684105 /nfs/dbraw/zinc/68/41/05/437684105.db2.gz YALMDNMZBUVLJS-MNOVXSKESA-N 1 1 325.369 0.338 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000192915256 437696255 /nfs/dbraw/zinc/69/62/55/437696255.db2.gz NZAHKGLAHPTKAX-PHIMTYICSA-N 1 1 341.389 0.786 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000355374968 437702257 /nfs/dbraw/zinc/70/22/57/437702257.db2.gz XDUVSDNHKUODJB-OLZOCXBDSA-N 1 1 335.364 0.507 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)CCO1 ZINC000356452577 437766246 /nfs/dbraw/zinc/76/62/46/437766246.db2.gz YZDPYFXHVQDJFA-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370548315 437802138 /nfs/dbraw/zinc/80/21/38/437802138.db2.gz UZOYGIYODNULFZ-OLZOCXBDSA-N 1 1 337.380 0.551 20 5 ECBDMO CCOC(=O)[C@@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568177 437805322 /nfs/dbraw/zinc/80/53/22/437805322.db2.gz GZGQLRPCTSTLCX-KBPBESRZSA-N 1 1 340.380 0.960 20 5 ECBDMO CCOC(=O)[C@@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568177 437805325 /nfs/dbraw/zinc/80/53/25/437805325.db2.gz GZGQLRPCTSTLCX-KBPBESRZSA-N 1 1 340.380 0.960 20 5 ECBDMO Cc1c(Br)c(N2CC[NH2+][C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000347437418 437889290 /nfs/dbraw/zinc/88/92/90/437889290.db2.gz VHHMTIRYPLZFTG-SSDOTTSWSA-N 1 1 344.169 0.324 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416296409 437904386 /nfs/dbraw/zinc/90/43/86/437904386.db2.gz NUQTUKHIOWZAHB-WDEREUQCSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416296409 437904390 /nfs/dbraw/zinc/90/43/90/437904390.db2.gz NUQTUKHIOWZAHB-WDEREUQCSA-N 1 1 347.375 0.998 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000348759256 438094371 /nfs/dbraw/zinc/09/43/71/438094371.db2.gz AFWIOZALZVYESV-LSDHHAIUSA-N 1 1 337.376 0.351 20 5 ECBDMO C[C@H](O)COC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653650 438110458 /nfs/dbraw/zinc/11/04/58/438110458.db2.gz MTBVYNMGEFIWKE-RYUDHWBXSA-N 1 1 326.353 0.742 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000358443080 438227634 /nfs/dbraw/zinc/22/76/34/438227634.db2.gz LHOBRJMEMBJPJZ-LBPRGKRZSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000358443080 438227637 /nfs/dbraw/zinc/22/76/37/438227637.db2.gz LHOBRJMEMBJPJZ-LBPRGKRZSA-N 1 1 329.378 0.727 20 5 ECBDMO C[N@H+]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000351486280 438268949 /nfs/dbraw/zinc/26/89/49/438268949.db2.gz MSSZVDZHYNZIEB-OLZOCXBDSA-N 1 1 330.348 0.400 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677214 438324885 /nfs/dbraw/zinc/32/48/85/438324885.db2.gz WCDFFYSPMLSDMH-GXTWGEPZSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677214 438324888 /nfs/dbraw/zinc/32/48/88/438324888.db2.gz WCDFFYSPMLSDMH-GXTWGEPZSA-N 1 1 344.371 0.552 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314693 438375855 /nfs/dbraw/zinc/37/58/55/438375855.db2.gz LDJZKJYBCUGFER-GRYCIOLGSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314693 438375859 /nfs/dbraw/zinc/37/58/59/438375859.db2.gz LDJZKJYBCUGFER-GRYCIOLGSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314693 438375863 /nfs/dbraw/zinc/37/58/63/438375863.db2.gz LDJZKJYBCUGFER-GRYCIOLGSA-N 1 1 337.380 0.937 20 5 ECBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405675030 438470195 /nfs/dbraw/zinc/47/01/95/438470195.db2.gz KZHVGOAFCPEVGP-VHSXEESVSA-N 1 1 345.352 0.173 20 5 ECBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405675030 438470201 /nfs/dbraw/zinc/47/02/01/438470201.db2.gz KZHVGOAFCPEVGP-VHSXEESVSA-N 1 1 345.352 0.173 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])n1 ZINC000407990421 438478902 /nfs/dbraw/zinc/47/89/02/438478902.db2.gz MXALONSJSGRISM-MNOVXSKESA-N 1 1 343.409 0.668 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369463661 438479198 /nfs/dbraw/zinc/47/91/98/438479198.db2.gz LFFDYHBIBFXUGI-CQSZACIVSA-N 1 1 348.359 0.942 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369463661 438479202 /nfs/dbraw/zinc/47/92/02/438479202.db2.gz LFFDYHBIBFXUGI-CQSZACIVSA-N 1 1 348.359 0.942 20 5 ECBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000421022266 438462020 /nfs/dbraw/zinc/46/20/20/438462020.db2.gz OUYZAOAPBOMBDQ-ZDUSSCGKSA-N 1 1 343.405 0.984 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000421022266 438462026 /nfs/dbraw/zinc/46/20/26/438462026.db2.gz OUYZAOAPBOMBDQ-ZDUSSCGKSA-N 1 1 343.405 0.984 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000369783916 438514477 /nfs/dbraw/zinc/51/44/77/438514477.db2.gz XICGMQUCTBXBRP-JSGCOSHPSA-N 1 1 332.364 0.822 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000408129512 438518751 /nfs/dbraw/zinc/51/87/51/438518751.db2.gz QBTFKABQRCOPJN-UHFFFAOYSA-N 1 1 337.380 0.574 20 5 ECBDMO C[N@@H+](CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353847572 438544101 /nfs/dbraw/zinc/54/41/01/438544101.db2.gz QABVKXZRQHXMKG-UHFFFAOYSA-N 1 1 349.391 0.604 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000370066410 438547718 /nfs/dbraw/zinc/54/77/18/438547718.db2.gz ICTMRDKUZXQVNZ-UHFFFAOYSA-N 1 1 337.380 0.553 20 5 ECBDMO Cn1cc([C@H]2[C@@H](CNc3ncc([N+](=O)[O-])c(N)n3)CCC[N@H+]2C)cn1 ZINC000370180376 438557215 /nfs/dbraw/zinc/55/72/15/438557215.db2.gz CCDUTXPUFQHXKF-ZWNOBZJWSA-N 1 1 346.395 0.617 20 5 ECBDMO C[C@@H]([NH3+])C[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937487 438619353 /nfs/dbraw/zinc/61/93/53/438619353.db2.gz CMZIJZSZBXAJIH-MNOVXSKESA-N 1 1 330.410 0.589 20 5 ECBDMO O=[N+]([O-])c1cnc(NCCCCN2CC[NH+](CCO)CC2)s1 ZINC000443507306 438653061 /nfs/dbraw/zinc/65/30/61/438653061.db2.gz APKPDWKLIFUHJA-UHFFFAOYSA-N 1 1 329.426 0.853 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452388698 438660330 /nfs/dbraw/zinc/66/03/30/438660330.db2.gz KDIAKCHIBOXDMZ-LLVKDONJSA-N 1 1 339.396 0.847 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000548056365 438722222 /nfs/dbraw/zinc/72/22/22/438722222.db2.gz AHMMRBIRGSMCNM-PHIMTYICSA-N 1 1 337.380 0.801 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548713362 438732413 /nfs/dbraw/zinc/73/24/13/438732413.db2.gz HVAVVXPXIMOSKM-NSHDSACASA-N 1 1 337.380 0.659 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576122085 438770446 /nfs/dbraw/zinc/77/04/46/438770446.db2.gz VWHJRQBFXQRBHT-AWEZNQCLSA-N 1 1 339.392 0.597 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457081290 438791735 /nfs/dbraw/zinc/79/17/35/438791735.db2.gz BJGBEKQSNVWHMK-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000457081290 438791739 /nfs/dbraw/zinc/79/17/39/438791739.db2.gz BJGBEKQSNVWHMK-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000457104598 438794388 /nfs/dbraw/zinc/79/43/88/438794388.db2.gz CVZCWEOUZCXITO-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000457104598 438794390 /nfs/dbraw/zinc/79/43/90/438794390.db2.gz CVZCWEOUZCXITO-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588069892 438815290 /nfs/dbraw/zinc/81/52/90/438815290.db2.gz SKOCUKQWQNRMRI-FZMZJTMJSA-N 1 1 336.392 0.969 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000595612535 438834937 /nfs/dbraw/zinc/83/49/37/438834937.db2.gz RBGZUDJLGDDLIZ-UKRRQHHQSA-N 1 1 347.375 0.948 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861921 438846267 /nfs/dbraw/zinc/84/62/67/438846267.db2.gz YNWXNFAVEHXEEL-GHMZBOCLSA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861921 438846272 /nfs/dbraw/zinc/84/62/72/438846272.db2.gz YNWXNFAVEHXEEL-GHMZBOCLSA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861921 438846276 /nfs/dbraw/zinc/84/62/76/438846276.db2.gz YNWXNFAVEHXEEL-GHMZBOCLSA-N 1 1 337.380 0.552 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590045247 438899383 /nfs/dbraw/zinc/89/93/83/438899383.db2.gz OEUOIEUGGWZDJM-LNSITVRQSA-N 1 1 346.387 0.876 20 5 ECBDMO CCN(C)C(=O)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000577842170 438873319 /nfs/dbraw/zinc/87/33/19/438873319.db2.gz LIALCZAUQYRFLG-LLVKDONJSA-N 1 1 343.405 0.825 20 5 ECBDMO CN1CCC([N@@H+]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572732 438877632 /nfs/dbraw/zinc/87/76/32/438877632.db2.gz WSTMZDBAWFHTLQ-LLVKDONJSA-N 1 1 348.407 0.669 20 5 ECBDMO CN1CCC([N@H+]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572732 438877636 /nfs/dbraw/zinc/87/76/36/438877636.db2.gz WSTMZDBAWFHTLQ-LLVKDONJSA-N 1 1 348.407 0.669 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590561822 438932945 /nfs/dbraw/zinc/93/29/45/438932945.db2.gz HSQVVVABXZKWLQ-UHFFFAOYSA-N 1 1 332.404 0.843 20 5 ECBDMO Nc1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc1[N+](=O)[O-] ZINC000590573621 438935240 /nfs/dbraw/zinc/93/52/40/438935240.db2.gz WRSCDVAERRMWQO-CQSZACIVSA-N 1 1 343.387 1.403 20 5 ECBDMO C[N@@H+]1CC=C(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596184419 438938738 /nfs/dbraw/zinc/93/87/38/438938738.db2.gz GYQZYMJNXXMBMV-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 ZINC000590659996 438945859 /nfs/dbraw/zinc/94/58/59/438945859.db2.gz UDIMBMKSVIHOCJ-AOOOYVTPSA-N 1 1 333.300 0.070 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]12 ZINC000590659996 438945862 /nfs/dbraw/zinc/94/58/62/438945862.db2.gz UDIMBMKSVIHOCJ-AOOOYVTPSA-N 1 1 333.300 0.070 20 5 ECBDMO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(N(C)CC2CN(C)C2)n1 ZINC000596454742 438964204 /nfs/dbraw/zinc/96/42/04/438964204.db2.gz UDBTVVLLMRRXCD-UHFFFAOYSA-N 1 1 348.451 0.985 20 5 ECBDMO Cc1cccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000591662867 439052606 /nfs/dbraw/zinc/05/26/06/439052606.db2.gz WMCYNQROUSDVJQ-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000580403758 439086485 /nfs/dbraw/zinc/08/64/85/439086485.db2.gz NXMNJQXZNHGMDQ-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000580403758 439086489 /nfs/dbraw/zinc/08/64/89/439086489.db2.gz NXMNJQXZNHGMDQ-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000602803274 439138070 /nfs/dbraw/zinc/13/80/70/439138070.db2.gz BKGXTJYVPWJMGI-LBPRGKRZSA-N 1 1 339.396 0.669 20 5 ECBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](C2CCC2)CC1 ZINC000522215147 439147010 /nfs/dbraw/zinc/14/70/10/439147010.db2.gz NBMRVBMBEHFJJF-UHFFFAOYSA-N 1 1 340.405 0.917 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694804 439160789 /nfs/dbraw/zinc/16/07/89/439160789.db2.gz NXOBYQGAMUGCFA-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694804 439160794 /nfs/dbraw/zinc/16/07/94/439160794.db2.gz NXOBYQGAMUGCFA-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694804 439160797 /nfs/dbraw/zinc/16/07/97/439160797.db2.gz NXOBYQGAMUGCFA-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CN1CCN(C(=O)C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602989206 439178484 /nfs/dbraw/zinc/17/84/84/439178484.db2.gz HIQQQPWOPZYJRR-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO CN1CCN(C(=O)C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602989206 439178491 /nfs/dbraw/zinc/17/84/91/439178491.db2.gz HIQQQPWOPZYJRR-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989206 439178496 /nfs/dbraw/zinc/17/84/96/439178496.db2.gz HIQQQPWOPZYJRR-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO COc1cc(CN(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000602989045 439178840 /nfs/dbraw/zinc/17/88/40/439178840.db2.gz BOWINXMWJCRXRI-UHFFFAOYSA-N 1 1 336.392 0.809 20 5 ECBDMO COC[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593066411 439336506 /nfs/dbraw/zinc/33/65/06/439336506.db2.gz CPLUGDNJBSBCOO-MGPQQGTHSA-N 1 1 326.349 0.416 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000604199878 439301951 /nfs/dbraw/zinc/30/19/51/439301951.db2.gz VMYGOSMGNPSWQO-NSHDSACASA-N 1 1 348.359 0.531 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000599109329 439359730 /nfs/dbraw/zinc/35/97/30/439359730.db2.gz UCTRPOUIEBFNRS-UHFFFAOYSA-N 1 1 337.361 0.410 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593094133 439339819 /nfs/dbraw/zinc/33/98/19/439339819.db2.gz IPJIUPJDYVIDMD-URXADNBGSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593094133 439339823 /nfs/dbraw/zinc/33/98/23/439339823.db2.gz IPJIUPJDYVIDMD-URXADNBGSA-N 1 1 326.374 0.540 20 5 ECBDMO O=C(NC1CC1)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599200146 439378912 /nfs/dbraw/zinc/37/89/12/439378912.db2.gz YCWZZSKSMNIXHA-ZDUSSCGKSA-N 1 1 334.376 0.966 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000593531232 439393886 /nfs/dbraw/zinc/39/38/86/439393886.db2.gz PKVMKJMACIHDLM-RYUDHWBXSA-N 1 1 326.378 0.895 20 5 ECBDMO CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325822 439433568 /nfs/dbraw/zinc/43/35/68/439433568.db2.gz MJOTYEFKKCROBL-WCQYABFASA-N 1 1 338.364 0.790 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000571389019 439498247 /nfs/dbraw/zinc/49/82/47/439498247.db2.gz MVSHFKGDZVTOCD-UHFFFAOYSA-N 1 1 334.376 0.418 20 5 ECBDMO COc1ccc(OCCN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594027970 439508944 /nfs/dbraw/zinc/50/89/44/439508944.db2.gz WXBSWYXPWYSHKU-QWHCGFSZSA-N 1 1 337.376 0.733 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594023512 439509709 /nfs/dbraw/zinc/50/97/09/439509709.db2.gz MMGNKDCOEUOSAJ-RRFJBIMHSA-N 1 1 337.376 0.085 20 5 ECBDMO O=C(CCC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000594387063 439551853 /nfs/dbraw/zinc/55/18/53/439551853.db2.gz QZCKPSNVZRFYII-LSDHHAIUSA-N 1 1 347.371 0.835 20 5 ECBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106910 439515124 /nfs/dbraw/zinc/51/51/24/439515124.db2.gz CRJIYDKVVVCLBG-UTUOFQBUSA-N 1 1 325.369 0.405 20 5 ECBDMO C[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594106910 439515129 /nfs/dbraw/zinc/51/51/29/439515129.db2.gz CRJIYDKVVVCLBG-UTUOFQBUSA-N 1 1 325.369 0.405 20 5 ECBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000610126017 439599504 /nfs/dbraw/zinc/59/95/04/439599504.db2.gz KJFAMWLWPUQXRM-CQSZACIVSA-N 1 1 346.387 0.831 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761362 439603651 /nfs/dbraw/zinc/60/36/51/439603651.db2.gz XIINUXWWRYCGQO-WDEREUQCSA-N 1 1 328.394 0.951 20 5 ECBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000610296341 439609205 /nfs/dbraw/zinc/60/92/05/439609205.db2.gz AQDQPIDNSXYGAP-AWEZNQCLSA-N 1 1 344.375 0.919 20 5 ECBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000595357026 439713121 /nfs/dbraw/zinc/71/31/21/439713121.db2.gz WOGWSSCVUJILJP-JTQLQIEISA-N 1 1 331.398 0.574 20 5 ECBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600534278 439674800 /nfs/dbraw/zinc/67/48/00/439674800.db2.gz MQWSKIOUZSDDSU-CQSZACIVSA-N 1 1 332.360 0.732 20 5 ECBDMO COC1CC[NH+](CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000612794019 439740575 /nfs/dbraw/zinc/74/05/75/439740575.db2.gz RAGNSJCGGSHBJW-UHFFFAOYSA-N 1 1 343.405 0.984 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000617405655 439876428 /nfs/dbraw/zinc/87/64/28/439876428.db2.gz JDUPFBNQNXESND-WCQYABFASA-N 1 1 337.380 0.482 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000287301286 320649667 /nfs/dbraw/zinc/64/96/67/320649667.db2.gz VESWDZYMNIYFNT-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO CCc1ccc([C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[NH2+]2)cc1 ZINC000337570812 320951119 /nfs/dbraw/zinc/95/11/19/320951119.db2.gz CWFJTAYMVWZNJO-CQSZACIVSA-N 1 1 344.375 0.922 20 5 ECBDMO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000342960960 321113778 /nfs/dbraw/zinc/11/37/78/321113778.db2.gz OROBFRBUNQXNEF-LLVKDONJSA-N 1 1 336.392 0.975 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345139834 321178642 /nfs/dbraw/zinc/17/86/42/321178642.db2.gz MPIHZZRALOOTGB-UHFFFAOYSA-N 1 1 337.380 0.216 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@@H+](C)CC ZINC000346140453 321215648 /nfs/dbraw/zinc/21/56/48/321215648.db2.gz XWZYZDMXZWHJAO-NSHDSACASA-N 1 1 326.401 0.895 20 5 ECBDMO COc1cc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352540569 321363395 /nfs/dbraw/zinc/36/33/95/321363395.db2.gz MTMHAPJWIRTPNZ-CQSZACIVSA-N 1 1 339.392 0.728 20 5 ECBDMO O=C1NC(=O)N2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000352778032 321371139 /nfs/dbraw/zinc/37/11/39/321371139.db2.gz IUQLLOVTSMCCJL-ZDUSSCGKSA-N 1 1 334.332 0.600 20 5 ECBDMO O=C1NC(=O)N2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]12 ZINC000352778032 321371141 /nfs/dbraw/zinc/37/11/41/321371141.db2.gz IUQLLOVTSMCCJL-ZDUSSCGKSA-N 1 1 334.332 0.600 20 5 ECBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531887554 322047404 /nfs/dbraw/zinc/04/74/04/322047404.db2.gz HEXRWRXNDZRVOV-CQSZACIVSA-N 1 1 349.391 0.662 20 5 ECBDMO Cc1c(NC(=O)CC[NH+]2CCN(CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000171633505 533899181 /nfs/dbraw/zinc/89/91/81/533899181.db2.gz OBHCWKUATGSIMN-UHFFFAOYSA-N 1 1 349.391 0.335 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174296140 534618061 /nfs/dbraw/zinc/61/80/61/534618061.db2.gz DZIMRDLHISMHFQ-GHMZBOCLSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174296140 534618063 /nfs/dbraw/zinc/61/80/63/534618063.db2.gz DZIMRDLHISMHFQ-GHMZBOCLSA-N 1 1 325.369 0.013 20 5 ECBDMO CC(C)C(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131745165 527473112 /nfs/dbraw/zinc/47/31/12/527473112.db2.gz UENYOKKNGSOTRX-UHFFFAOYSA-N 1 1 336.392 0.947 20 5 ECBDMO CC(C)C(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131745165 527473114 /nfs/dbraw/zinc/47/31/14/527473114.db2.gz UENYOKKNGSOTRX-UHFFFAOYSA-N 1 1 336.392 0.947 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000155116088 528544529 /nfs/dbraw/zinc/54/45/29/528544529.db2.gz NLKADLRLOPBTAK-UHFFFAOYSA-N 1 1 338.412 0.590 20 5 ECBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000236054456 545926259 /nfs/dbraw/zinc/92/62/59/545926259.db2.gz VXBJNKFBGIRPKQ-SECBINFHSA-N 1 1 335.769 0.515 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000780864791 578701376 /nfs/dbraw/zinc/70/13/76/578701376.db2.gz AVXZUXBWUONVLJ-JTQLQIEISA-N 1 1 331.398 0.574 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+]C2(C(N)=O)CCCC2)c([N+](=O)[O-])c1 ZINC000746472779 579840421 /nfs/dbraw/zinc/84/04/21/579840421.db2.gz NFIJTQDGJPVZIY-UHFFFAOYSA-N 1 1 336.348 0.930 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837187437 588944709 /nfs/dbraw/zinc/94/47/09/588944709.db2.gz DLQDCYFWAWVABH-GFCCVEGCSA-N 1 1 347.375 0.470 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837187437 588944711 /nfs/dbraw/zinc/94/47/11/588944711.db2.gz DLQDCYFWAWVABH-GFCCVEGCSA-N 1 1 347.375 0.470 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837921876 588965394 /nfs/dbraw/zinc/96/53/94/588965394.db2.gz AWFBGHMSZJHPEG-GFCCVEGCSA-N 1 1 329.397 0.918 20 5 ECBDMO C[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000893273143 586320900 /nfs/dbraw/zinc/32/09/00/586320900.db2.gz DVTDZSKBHBCTTH-LBPRGKRZSA-N 1 1 346.387 0.950 20 5 ECBDMO C[C@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000893273143 586320901 /nfs/dbraw/zinc/32/09/01/586320901.db2.gz DVTDZSKBHBCTTH-LBPRGKRZSA-N 1 1 346.387 0.950 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000888993846 586352819 /nfs/dbraw/zinc/35/28/19/586352819.db2.gz JIXJVKVBOUUSLP-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c1 ZINC000888993846 586352821 /nfs/dbraw/zinc/35/28/21/586352821.db2.gz JIXJVKVBOUUSLP-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO C[N@@H+](CCO)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000899737821 586504860 /nfs/dbraw/zinc/50/48/60/586504860.db2.gz OSGYOSGOBDAIGF-UHFFFAOYSA-N 1 1 333.747 0.970 20 5 ECBDMO Cn1cc(CN2CCNCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904397084 586836741 /nfs/dbraw/zinc/83/67/41/586836741.db2.gz YESJEWZXMIMRKM-UHFFFAOYSA-N 1 1 344.419 0.990 20 5 ECBDMO O=C(C[NH2+]CC[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000905083970 586867637 /nfs/dbraw/zinc/86/76/37/586867637.db2.gz YDWGBANGVGSTRY-UHFFFAOYSA-N 1 1 326.784 0.855 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720175 586890019 /nfs/dbraw/zinc/89/00/19/586890019.db2.gz ICSBCPIHVQUEJK-LVQVYYBASA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720175 586890021 /nfs/dbraw/zinc/89/00/21/586890021.db2.gz ICSBCPIHVQUEJK-LVQVYYBASA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720175 586890023 /nfs/dbraw/zinc/89/00/23/586890023.db2.gz ICSBCPIHVQUEJK-LVQVYYBASA-N 1 1 333.388 0.651 20 5 ECBDMO COc1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000813742054 587261412 /nfs/dbraw/zinc/26/14/12/587261412.db2.gz XXWXSSVCRRTWQX-MFKMUULPSA-N 1 1 341.389 0.928 20 5 ECBDMO CC[N@@H+](C)C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821164538 587576199 /nfs/dbraw/zinc/57/61/99/587576199.db2.gz GUCAJZQDUQDSCA-JTQLQIEISA-N 1 1 332.368 0.948 20 5 ECBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]21 ZINC000821629068 587609646 /nfs/dbraw/zinc/60/96/46/587609646.db2.gz XVDWLLWSUVPUHB-OLZOCXBDSA-N 1 1 331.336 0.294 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827148194 588102076 /nfs/dbraw/zinc/10/20/76/588102076.db2.gz FJUBCIDADUYPBB-AWEZNQCLSA-N 1 1 345.359 0.711 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852414998 589495650 /nfs/dbraw/zinc/49/56/50/589495650.db2.gz XNDRGNAGXAOSKR-CMPLNLGQSA-N 1 1 325.277 0.923 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854644093 589597968 /nfs/dbraw/zinc/59/79/68/589597968.db2.gz DYZNRTKWLPPVJO-INIZCTEOSA-N 1 1 348.403 0.334 20 5 ECBDMO CNc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714159 589878370 /nfs/dbraw/zinc/87/83/70/589878370.db2.gz IOWANYUGDOTNRV-RYUDHWBXSA-N 1 1 334.376 0.918 20 5 ECBDMO Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000868236259 589883460 /nfs/dbraw/zinc/88/34/60/589883460.db2.gz POCGTNMCMLYLFY-AWEZNQCLSA-N 1 1 335.408 0.948 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865505266 590148047 /nfs/dbraw/zinc/14/80/47/590148047.db2.gz MAAYWAYYRAGXQP-UHFFFAOYSA-N 1 1 340.355 0.802 20 5 ECBDMO Cn1cnnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589411 611356345 /nfs/dbraw/zinc/35/63/45/611356345.db2.gz XWUBQXOHRXKOLM-XJFOESAGSA-N 1 1 348.407 0.151 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3cnon3)C[C@H]2CC1 ZINC000946589392 611356440 /nfs/dbraw/zinc/35/64/40/611356440.db2.gz WWACRDAQSFJKHC-ZMJPVWNMSA-N 1 1 335.364 0.405 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931405177 611537088 /nfs/dbraw/zinc/53/70/88/611537088.db2.gz HCQMPSHEASKPOD-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931405177 611537089 /nfs/dbraw/zinc/53/70/89/611537089.db2.gz HCQMPSHEASKPOD-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931405177 611537091 /nfs/dbraw/zinc/53/70/91/611537091.db2.gz HCQMPSHEASKPOD-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO C[NH+](C)C1(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC000947069421 611557748 /nfs/dbraw/zinc/55/77/48/611557748.db2.gz RLHVTEHUQAOAQK-CHWSQXEVSA-N 1 1 338.408 0.243 20 5 ECBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000177355648 608641240 /nfs/dbraw/zinc/64/12/40/608641240.db2.gz MHIQBHZZDLJRNL-AWEZNQCLSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000177355648 608641244 /nfs/dbraw/zinc/64/12/44/608641244.db2.gz MHIQBHZZDLJRNL-AWEZNQCLSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472330 609877047 /nfs/dbraw/zinc/87/70/47/609877047.db2.gz IPNQMSBBXYKDFQ-OTYXRUKQSA-N 1 1 329.303 0.944 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472330 609877049 /nfs/dbraw/zinc/87/70/49/609877049.db2.gz IPNQMSBBXYKDFQ-OTYXRUKQSA-N 1 1 329.303 0.944 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777770 739935606 /nfs/dbraw/zinc/93/56/06/739935606.db2.gz OGRVIRNSFMHBBI-LJIZCISZSA-N 1 1 331.372 0.777 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3ccccc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777770 739935611 /nfs/dbraw/zinc/93/56/11/739935611.db2.gz OGRVIRNSFMHBBI-LJIZCISZSA-N 1 1 331.372 0.777 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3ccccc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025777770 739935614 /nfs/dbraw/zinc/93/56/14/739935614.db2.gz OGRVIRNSFMHBBI-LJIZCISZSA-N 1 1 331.372 0.777 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776127 739944773 /nfs/dbraw/zinc/94/47/73/739944773.db2.gz ZMTRDTGLUCNLNS-LJIZCISZSA-N 1 1 331.372 0.391 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776127 739944776 /nfs/dbraw/zinc/94/47/76/739944776.db2.gz ZMTRDTGLUCNLNS-LJIZCISZSA-N 1 1 331.372 0.391 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776127 739944779 /nfs/dbraw/zinc/94/47/79/739944779.db2.gz ZMTRDTGLUCNLNS-LJIZCISZSA-N 1 1 331.372 0.391 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2ncc[nH]2)CC1 ZINC001001393212 746336575 /nfs/dbraw/zinc/33/65/75/746336575.db2.gz NHXIRXOMEURAQL-UHFFFAOYSA-N 1 1 347.379 0.693 20 5 ECBDMO Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001400959 746341801 /nfs/dbraw/zinc/34/18/01/746341801.db2.gz WGSOFIIIKYPDIS-HUUCEWRRSA-N 1 1 335.408 0.722 20 5 ECBDMO O=C(NCC1CC[NH+](CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001401132 746342451 /nfs/dbraw/zinc/34/24/51/746342451.db2.gz ZLYOCUGHGVVGMW-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C ZINC000985426543 747982048 /nfs/dbraw/zinc/98/20/48/747982048.db2.gz SDRRGRCTVSPPPN-HUUCEWRRSA-N 1 1 335.408 0.817 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2C1 ZINC001048812913 757075333 /nfs/dbraw/zinc/07/53/33/757075333.db2.gz UEXZVZXCHBHQSE-ZMJPVWNMSA-N 1 1 336.417 0.741 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2C1 ZINC001048812913 757075335 /nfs/dbraw/zinc/07/53/35/757075335.db2.gz UEXZVZXCHBHQSE-ZMJPVWNMSA-N 1 1 336.417 0.741 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2C1 ZINC001048812913 757075344 /nfs/dbraw/zinc/07/53/44/757075344.db2.gz UEXZVZXCHBHQSE-ZMJPVWNMSA-N 1 1 336.417 0.741 20 5 ECBDMO CCc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126949781 757227972 /nfs/dbraw/zinc/22/79/72/757227972.db2.gz ZKUMTJRGWUCHAG-TZMCWYRMSA-N 1 1 334.376 0.559 20 5 ECBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525580 760662465 /nfs/dbraw/zinc/66/24/65/760662465.db2.gz YJNUAAUOKLSVMP-XLWJZTARSA-N 1 1 348.407 0.303 20 5 ECBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525580 760662471 /nfs/dbraw/zinc/66/24/71/760662471.db2.gz YJNUAAUOKLSVMP-XLWJZTARSA-N 1 1 348.407 0.303 20 5 ECBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cncn1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525580 760662476 /nfs/dbraw/zinc/66/24/76/760662476.db2.gz YJNUAAUOKLSVMP-XLWJZTARSA-N 1 1 348.407 0.303 20 5 ECBDMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)cn1 ZINC001048525182 760662844 /nfs/dbraw/zinc/66/28/44/760662844.db2.gz OHVDEWSXNPJRLG-DPZJBDQQSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)cn1 ZINC001048525182 760662848 /nfs/dbraw/zinc/66/28/48/760662848.db2.gz OHVDEWSXNPJRLG-DPZJBDQQSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)cn1 ZINC001048525182 760662851 /nfs/dbraw/zinc/66/28/51/760662851.db2.gz OHVDEWSXNPJRLG-DPZJBDQQSA-N 1 1 347.419 0.945 20 5 ECBDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048732722 761067172 /nfs/dbraw/zinc/06/71/72/761067172.db2.gz MCLWWBALLHFXID-BETUJISGSA-N 1 1 332.360 0.360 20 5 ECBDMO Cn1oc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)cc1=O ZINC001031635313 771552446 /nfs/dbraw/zinc/55/24/46/771552446.db2.gz QQUAHKFAJZURHJ-UHFFFAOYSA-N 1 1 346.343 0.748 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073176748 789571522 /nfs/dbraw/zinc/57/15/22/789571522.db2.gz SYCUXILIOLOVNG-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CCC[N@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073176748 789571533 /nfs/dbraw/zinc/57/15/33/789571533.db2.gz SYCUXILIOLOVNG-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073176748 789571543 /nfs/dbraw/zinc/57/15/43/789571543.db2.gz SYCUXILIOLOVNG-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CCC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067388868 793075358 /nfs/dbraw/zinc/07/53/58/793075358.db2.gz NGDLCBKUWXEDMA-ZIAGYGMSSA-N 1 1 342.440 0.690 20 5 ECBDMO CCC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388868 793075364 /nfs/dbraw/zinc/07/53/64/793075364.db2.gz NGDLCBKUWXEDMA-ZIAGYGMSSA-N 1 1 342.440 0.690 20 5 ECBDMO CCC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388868 793075373 /nfs/dbraw/zinc/07/53/73/793075373.db2.gz NGDLCBKUWXEDMA-ZIAGYGMSSA-N 1 1 342.440 0.690 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000174710818 529961934 /nfs/dbraw/zinc/96/19/34/529961934.db2.gz HIZTWFJEBZLBDS-UONOGXRCSA-N 1 1 348.359 0.924 20 5 ECBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354948789 299169119 /nfs/dbraw/zinc/16/91/19/299169119.db2.gz JEDRTKLOVINVFF-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068607326 215323204 /nfs/dbraw/zinc/32/32/04/215323204.db2.gz DUYXXNFONTWNOP-UHFFFAOYSA-N 1 1 334.376 0.877 20 5 ECBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000110350341 220030776 /nfs/dbraw/zinc/03/07/76/220030776.db2.gz SYZTUZOUIZLBRM-LBPRGKRZSA-N 1 1 332.364 0.823 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265212358 247303726 /nfs/dbraw/zinc/30/37/26/247303726.db2.gz LWZIRGRTWIEHMY-LBPRGKRZSA-N 1 1 343.405 0.974 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000444649727 211089017 /nfs/dbraw/zinc/08/90/17/211089017.db2.gz BFODIGDDKZYGQS-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)C(N)=O ZINC000411254021 208078337 /nfs/dbraw/zinc/07/83/37/208078337.db2.gz HRGDNICBMIRLNQ-LLVKDONJSA-N 1 1 338.364 0.746 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000411959599 208178796 /nfs/dbraw/zinc/17/87/96/208178796.db2.gz VUAWRVSUEVVFSP-ZDUSSCGKSA-N 1 1 346.387 0.894 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413191635 208296149 /nfs/dbraw/zinc/29/61/49/208296149.db2.gz LPLLDGQZBPBYND-UHFFFAOYSA-N 1 1 325.344 0.729 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCSCC1 ZINC000272931587 296774288 /nfs/dbraw/zinc/77/42/88/296774288.db2.gz SQBCBMBKGWDHEM-UHFFFAOYSA-N 1 1 346.434 0.703 20 5 ECBDMO COCCOC[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174117101 164867436 /nfs/dbraw/zinc/86/74/36/164867436.db2.gz GVBKDXHJAPWAFF-JSGCOSHPSA-N 1 1 328.369 0.137 20 5 ECBDMO O=[N+]([O-])c1ccc(OC2CN(C[C@@H](O)C[NH+]3CCOCC3)C2)cc1 ZINC000189462262 165011517 /nfs/dbraw/zinc/01/15/17/165011517.db2.gz KOIIEVDAURPSAF-AWEZNQCLSA-N 1 1 337.376 0.351 20 5 ECBDMO CCOC(=O)C1(O)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270596778 263255548 /nfs/dbraw/zinc/25/55/48/263255548.db2.gz VIHGMHHAKSFLGV-UHFFFAOYSA-N 1 1 339.348 0.147 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272660828 263359746 /nfs/dbraw/zinc/35/97/46/263359746.db2.gz OQMJJCHXLKXHTO-UHFFFAOYSA-N 1 1 349.391 0.413 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272728252 263366880 /nfs/dbraw/zinc/36/68/80/263366880.db2.gz ORJDLZQVCAAKCQ-UHFFFAOYSA-N 1 1 336.352 0.275 20 5 ECBDMO NS(=O)(=O)c1cccc(N2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000273513554 263411597 /nfs/dbraw/zinc/41/15/97/263411597.db2.gz VIMMCZMLAWMCCV-UHFFFAOYSA-N 1 1 326.378 0.527 20 5 ECBDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285214567 264291794 /nfs/dbraw/zinc/29/17/94/264291794.db2.gz WNIYBUGEJAQKCL-UONOGXRCSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285214567 264291796 /nfs/dbraw/zinc/29/17/96/264291796.db2.gz WNIYBUGEJAQKCL-UONOGXRCSA-N 1 1 341.389 0.688 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285911001 264350509 /nfs/dbraw/zinc/35/05/09/264350509.db2.gz DKJCJUSSWBRFKI-CYBMUJFWSA-N 1 1 330.348 0.697 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[NH2+]C[C@](C)(F)C2)c(C)c1[N+](=O)[O-] ZINC000295286492 265059982 /nfs/dbraw/zinc/05/99/82/265059982.db2.gz TZGMXNUDIVKRCZ-AWEZNQCLSA-N 1 1 327.360 0.958 20 5 ECBDMO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCOCC1 ZINC000298271732 265234279 /nfs/dbraw/zinc/23/42/79/265234279.db2.gz DXLYJSWXAKCGJE-CYBMUJFWSA-N 1 1 337.380 0.857 20 5 ECBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000298770329 265279576 /nfs/dbraw/zinc/27/95/76/265279576.db2.gz AETPHUIMCIIBGO-GFCCVEGCSA-N 1 1 333.344 0.979 20 5 ECBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000298770329 265279578 /nfs/dbraw/zinc/27/95/78/265279578.db2.gz AETPHUIMCIIBGO-GFCCVEGCSA-N 1 1 333.344 0.979 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCCOCC1 ZINC000189407875 437599511 /nfs/dbraw/zinc/59/95/11/437599511.db2.gz UEKIPOLSOUKGNE-UHFFFAOYSA-N 1 1 325.369 0.328 20 5 ECBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261913310 280057680 /nfs/dbraw/zinc/05/76/80/280057680.db2.gz JIENTOCCAXGJIZ-DOMZBBRYSA-N 1 1 334.376 0.620 20 5 ECBDMO CS(=O)(=O)NCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000340217543 437607305 /nfs/dbraw/zinc/60/73/05/437607305.db2.gz KFGSGCPVWKWIPF-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)NCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000340217543 437607308 /nfs/dbraw/zinc/60/73/08/437607308.db2.gz KFGSGCPVWKWIPF-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCNC1=O ZINC000340225025 437611905 /nfs/dbraw/zinc/61/19/05/437611905.db2.gz HMCKSQSOBGKNDX-NSHDSACASA-N 1 1 334.332 0.713 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 ZINC000345884391 298201495 /nfs/dbraw/zinc/20/14/95/298201495.db2.gz LPAVQQNLENTXPQ-UHFFFAOYSA-N 1 1 348.359 0.930 20 5 ECBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056455 299006491 /nfs/dbraw/zinc/00/64/91/299006491.db2.gz KVURJOABCQCZOI-MJBXVCDLSA-N 1 1 338.364 0.222 20 5 ECBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056455 299006493 /nfs/dbraw/zinc/00/64/93/299006493.db2.gz KVURJOABCQCZOI-MJBXVCDLSA-N 1 1 338.364 0.222 20 5 ECBDMO C[C@@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1CO ZINC000362087258 300161076 /nfs/dbraw/zinc/16/10/76/300161076.db2.gz AVZGSMODLXLQRU-NXEZZACHSA-N 1 1 337.332 0.822 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1CO ZINC000362087258 300161078 /nfs/dbraw/zinc/16/10/78/300161078.db2.gz AVZGSMODLXLQRU-NXEZZACHSA-N 1 1 337.332 0.822 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362995489 300239821 /nfs/dbraw/zinc/23/98/21/300239821.db2.gz XYXMEUSCBNLSGP-QWHCGFSZSA-N 1 1 337.380 0.469 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363192841 300253324 /nfs/dbraw/zinc/25/33/24/300253324.db2.gz OVXBYAXEGNWDLK-OLZOCXBDSA-N 1 1 334.376 0.986 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000363684615 300285940 /nfs/dbraw/zinc/28/59/40/300285940.db2.gz AMGSHMMDNCKECA-UHFFFAOYSA-N 1 1 338.364 0.614 20 5 ECBDMO CC(C)C[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000364207471 300335791 /nfs/dbraw/zinc/33/57/91/300335791.db2.gz BJMMVZJOTMTVPX-UHFFFAOYSA-N 1 1 336.392 0.947 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374413993 301107573 /nfs/dbraw/zinc/10/75/73/301107573.db2.gz FJEIBQKTQNEORD-JTQLQIEISA-N 1 1 325.394 0.970 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374413993 301107575 /nfs/dbraw/zinc/10/75/75/301107575.db2.gz FJEIBQKTQNEORD-JTQLQIEISA-N 1 1 325.394 0.970 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000374940063 301136000 /nfs/dbraw/zinc/13/60/00/301136000.db2.gz BUPVCVBGANEBNU-UHFFFAOYSA-N 1 1 346.347 0.828 20 5 ECBDMO O=C1CCCN1[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075738402 436172612 /nfs/dbraw/zinc/17/26/12/436172612.db2.gz ZEEXBQRKNGLGSG-GXTWGEPZSA-N 1 1 337.380 0.239 20 5 ECBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879938 436209658 /nfs/dbraw/zinc/20/96/58/436209658.db2.gz XOUQMJDSHGAOGF-MXWKQRLJSA-N 1 1 338.364 0.511 20 5 ECBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879938 436209662 /nfs/dbraw/zinc/20/96/62/436209662.db2.gz XOUQMJDSHGAOGF-MXWKQRLJSA-N 1 1 338.364 0.511 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000078522550 436271324 /nfs/dbraw/zinc/27/13/24/436271324.db2.gz SFWWXLFLWAMPOZ-NSHDSACASA-N 1 1 347.375 0.724 20 5 ECBDMO CC(C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000044695612 436345322 /nfs/dbraw/zinc/34/53/22/436345322.db2.gz BYBOLUQJQIZGIS-ZDUSSCGKSA-N 1 1 325.369 0.264 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000053559477 436536353 /nfs/dbraw/zinc/53/63/53/436536353.db2.gz FVRIRWRFKDLZTL-UHFFFAOYSA-N 1 1 349.391 0.577 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000551970695 302376753 /nfs/dbraw/zinc/37/67/53/302376753.db2.gz OEAHKYGQBBPXDH-UHFFFAOYSA-N 1 1 326.378 0.550 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2CCNC(=O)CC2)c([N+](=O)[O-])c1 ZINC000065955337 436675925 /nfs/dbraw/zinc/67/59/25/436675925.db2.gz UBLGIEBIIZDYQC-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000248675916 436807910 /nfs/dbraw/zinc/80/79/10/436807910.db2.gz TUGRHQBOUUVDKR-NWDGAFQWSA-N 1 1 339.396 0.728 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000248675916 436807912 /nfs/dbraw/zinc/80/79/12/436807912.db2.gz TUGRHQBOUUVDKR-NWDGAFQWSA-N 1 1 339.396 0.728 20 5 ECBDMO C[C@H](O)C[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000156341094 436814386 /nfs/dbraw/zinc/81/43/86/436814386.db2.gz XBWNMGYDBCBDOZ-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000274550607 436843207 /nfs/dbraw/zinc/84/32/07/436843207.db2.gz XNKOLYWVJSOERR-UHFFFAOYSA-N 1 1 335.364 0.117 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249514712 436822762 /nfs/dbraw/zinc/82/27/62/436822762.db2.gz PWLMRRWUIFRPDG-RYUDHWBXSA-N 1 1 336.392 0.581 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000261687268 436883106 /nfs/dbraw/zinc/88/31/06/436883106.db2.gz IBCXSNSDDMRUON-ZDUSSCGKSA-N 1 1 330.348 0.697 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000262074341 436905744 /nfs/dbraw/zinc/90/57/44/436905744.db2.gz PSWQPMSEYSMXJO-NSHDSACASA-N 1 1 336.396 0.390 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275181568 436937372 /nfs/dbraw/zinc/93/73/72/436937372.db2.gz CTKULSFAYDQCJL-NSHDSACASA-N 1 1 334.376 0.922 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000263758076 436985359 /nfs/dbraw/zinc/98/53/59/436985359.db2.gz KWIKFOQQRFXXBX-UHFFFAOYSA-N 1 1 338.364 0.019 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284705975 437062934 /nfs/dbraw/zinc/06/29/34/437062934.db2.gz KFFCVLKULJEUAJ-MNOVXSKESA-N 1 1 337.380 0.986 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000276186885 437069860 /nfs/dbraw/zinc/06/98/60/437069860.db2.gz LFBDKZOJZKSZQR-GHMZBOCLSA-N 1 1 341.364 0.606 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000276186885 437069863 /nfs/dbraw/zinc/06/98/63/437069863.db2.gz LFBDKZOJZKSZQR-GHMZBOCLSA-N 1 1 341.364 0.606 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276450736 437106465 /nfs/dbraw/zinc/10/64/65/437106465.db2.gz MVZLDBUZONEVQG-HNNXBMFYSA-N 1 1 336.348 0.154 20 5 ECBDMO CCCS(=O)(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176208038 437134053 /nfs/dbraw/zinc/13/40/53/437134053.db2.gz MDKOBUCSSHOIES-UHFFFAOYSA-N 1 1 345.425 0.585 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)N1 ZINC000279386529 437402631 /nfs/dbraw/zinc/40/26/31/437402631.db2.gz JVHDMSYZVJXTGC-AWEZNQCLSA-N 1 1 349.303 0.677 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)N1 ZINC000279386529 437402634 /nfs/dbraw/zinc/40/26/34/437402634.db2.gz JVHDMSYZVJXTGC-AWEZNQCLSA-N 1 1 349.303 0.677 20 5 ECBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170320 437378170 /nfs/dbraw/zinc/37/81/70/437378170.db2.gz JVWBJISDVPWBJZ-ABAIWWIYSA-N 1 1 346.387 0.924 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186677466 437481155 /nfs/dbraw/zinc/48/11/55/437481155.db2.gz YXMBMWWARNPMRZ-LBPRGKRZSA-N 1 1 347.375 0.335 20 5 ECBDMO CC(C)OCC[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290535588 437499159 /nfs/dbraw/zinc/49/91/59/437499159.db2.gz DRLPSUNWBLGWKG-UHFFFAOYSA-N 1 1 337.380 0.636 20 5 ECBDMO C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187677196 437510600 /nfs/dbraw/zinc/51/06/00/437510600.db2.gz GBEMVHVKQROODH-ZFWWWQNUSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187677196 437510610 /nfs/dbraw/zinc/51/06/10/437510610.db2.gz GBEMVHVKQROODH-ZFWWWQNUSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187677196 437510612 /nfs/dbraw/zinc/51/06/12/437510612.db2.gz GBEMVHVKQROODH-ZFWWWQNUSA-N 1 1 339.392 0.333 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000188117207 437527453 /nfs/dbraw/zinc/52/74/53/437527453.db2.gz LVXAFIPWXXJOLY-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000188117207 437527459 /nfs/dbraw/zinc/52/74/59/437527459.db2.gz LVXAFIPWXXJOLY-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000188118793 437528007 /nfs/dbraw/zinc/52/80/07/437528007.db2.gz ZUBNNYDZLBPTHY-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000188118793 437528012 /nfs/dbraw/zinc/52/80/12/437528012.db2.gz ZUBNNYDZLBPTHY-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO NC(=O)[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000360186960 437551451 /nfs/dbraw/zinc/55/14/51/437551451.db2.gz IXGIILQNUPYYBF-QMMMGPOBSA-N 1 1 329.154 0.621 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H](C)O)CC1 ZINC000189307512 437590436 /nfs/dbraw/zinc/59/04/36/437590436.db2.gz RWIDJWSWVVIGKM-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370709723 437822586 /nfs/dbraw/zinc/82/25/86/437822586.db2.gz UHCNMLRSRXTXQU-QEJZJMRPSA-N 1 1 348.407 0.917 20 5 ECBDMO O=C1C[C@@]2(CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000364981866 437841472 /nfs/dbraw/zinc/84/14/72/437841472.db2.gz KSWKPKCBWSRJSM-PBHICJAKSA-N 1 1 344.371 0.912 20 5 ECBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415782253 437858501 /nfs/dbraw/zinc/85/85/01/437858501.db2.gz LUEVIACLIIQDQB-CQSZACIVSA-N 1 1 342.302 0.832 20 5 ECBDMO Cc1nc([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365274253 437885886 /nfs/dbraw/zinc/88/58/86/437885886.db2.gz ARUCBJXUIQAEBV-WCQYABFASA-N 1 1 336.352 0.723 20 5 ECBDMO COC(=O)[C@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570625 437957347 /nfs/dbraw/zinc/95/73/47/437957347.db2.gz DOPJUTAXOCEBQH-CHWSQXEVSA-N 1 1 326.353 0.570 20 5 ECBDMO COC(=O)[C@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570625 437957352 /nfs/dbraw/zinc/95/73/52/437957352.db2.gz DOPJUTAXOCEBQH-CHWSQXEVSA-N 1 1 326.353 0.570 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371991118 438018557 /nfs/dbraw/zinc/01/85/57/438018557.db2.gz IWSHPEDWANWIBA-ZYHUDNBSSA-N 1 1 335.364 0.555 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371991118 438018562 /nfs/dbraw/zinc/01/85/62/438018562.db2.gz IWSHPEDWANWIBA-ZYHUDNBSSA-N 1 1 335.364 0.555 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000371994222 438021068 /nfs/dbraw/zinc/02/10/68/438021068.db2.gz JNAGXYRSCROLBF-KBPBESRZSA-N 1 1 337.380 0.551 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357663376 438039661 /nfs/dbraw/zinc/03/96/61/438039661.db2.gz KMBVBMWCPFFTEF-LLVKDONJSA-N 1 1 349.391 0.778 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC000427830109 438085707 /nfs/dbraw/zinc/08/57/07/438085707.db2.gz GDIRBCLAOKJSLW-LBPRGKRZSA-N 1 1 338.412 0.425 20 5 ECBDMO CN1C[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000373243035 438139658 /nfs/dbraw/zinc/13/96/58/438139658.db2.gz NDCJZDCSSTWVLL-LBPRGKRZSA-N 1 1 347.375 0.975 20 5 ECBDMO CN1C[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000373243035 438139660 /nfs/dbraw/zinc/13/96/60/438139660.db2.gz NDCJZDCSSTWVLL-LBPRGKRZSA-N 1 1 347.375 0.975 20 5 ECBDMO Cc1c(CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000358470883 438233788 /nfs/dbraw/zinc/23/37/88/438233788.db2.gz GEYGTSNRHOGFGU-AWEZNQCLSA-N 1 1 335.408 0.948 20 5 ECBDMO C[N@@H+]1CC[C@](O)(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358327194 438201870 /nfs/dbraw/zinc/20/18/70/438201870.db2.gz XDBUNGWPGNFKIN-ZDUSSCGKSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358327194 438201873 /nfs/dbraw/zinc/20/18/73/438201873.db2.gz XDBUNGWPGNFKIN-ZDUSSCGKSA-N 1 1 329.378 0.477 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]12 ZINC000377654445 438318909 /nfs/dbraw/zinc/31/89/09/438318909.db2.gz OIJYCEWNXZVPDJ-UGFHNGPFSA-N 1 1 344.371 0.768 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]12 ZINC000377654445 438318910 /nfs/dbraw/zinc/31/89/10/438318910.db2.gz OIJYCEWNXZVPDJ-UGFHNGPFSA-N 1 1 344.371 0.768 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377666981 438321780 /nfs/dbraw/zinc/32/17/80/438321780.db2.gz CREKLPJKWHBMRY-KYOSRNDESA-N 1 1 335.360 0.402 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000368294190 438312015 /nfs/dbraw/zinc/31/20/15/438312015.db2.gz OYHKLSWCQRDOIO-CMPLNLGQSA-N 1 1 340.405 0.773 20 5 ECBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000368855696 438393565 /nfs/dbraw/zinc/39/35/65/438393565.db2.gz LIDWZFBVZZZYFU-SNVBAGLBSA-N 1 1 335.324 0.116 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368639159 438359072 /nfs/dbraw/zinc/35/90/72/438359072.db2.gz SJXFVPUQESQMCF-VXGBXAGGSA-N 1 1 349.343 0.577 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405316534 438467647 /nfs/dbraw/zinc/46/76/47/438467647.db2.gz RSIRHWJQLBWQHK-NWDGAFQWSA-N 1 1 327.362 0.034 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405316534 438467648 /nfs/dbraw/zinc/46/76/48/438467648.db2.gz RSIRHWJQLBWQHK-NWDGAFQWSA-N 1 1 327.362 0.034 20 5 ECBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000359645129 438473264 /nfs/dbraw/zinc/47/32/64/438473264.db2.gz ZQAQGUGEHUKABW-HNNXBMFYSA-N 1 1 346.387 0.706 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352791306 438476414 /nfs/dbraw/zinc/47/64/14/438476414.db2.gz HQZYLFYKNAEAST-UONOGXRCSA-N 1 1 339.348 0.624 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000353661247 438521141 /nfs/dbraw/zinc/52/11/41/438521141.db2.gz ORZZDCSWQCGSIS-ZBFHGGJFSA-N 1 1 332.360 0.744 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451861586 438609401 /nfs/dbraw/zinc/60/94/01/438609401.db2.gz CXHATIAIMAVOHY-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452395689 438660967 /nfs/dbraw/zinc/66/09/67/438660967.db2.gz XAJKIKGFXUYEHT-LBPRGKRZSA-N 1 1 325.369 0.144 20 5 ECBDMO Nc1nccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000548059136 438721966 /nfs/dbraw/zinc/72/19/66/438721966.db2.gz KJNJLKAITAQJAZ-NSHDSACASA-N 1 1 335.364 0.366 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCNC(C)=O ZINC000575744804 438752777 /nfs/dbraw/zinc/75/27/77/438752777.db2.gz DZUCGXOPLBUJEW-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2CCO)s1 ZINC000451671649 438707030 /nfs/dbraw/zinc/70/70/30/438707030.db2.gz QLRNHJDDJKLDKZ-JTQLQIEISA-N 1 1 349.434 0.781 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117881 438793830 /nfs/dbraw/zinc/79/38/30/438793830.db2.gz GZTBABBDRMTGLS-STQMWFEESA-N 1 1 333.392 0.836 20 5 ECBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658458 438840198 /nfs/dbraw/zinc/84/01/98/438840198.db2.gz JLJYJUDYDXGRAT-CJNGLKHVSA-N 1 1 340.376 0.808 20 5 ECBDMO C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)NCC[NH+](C)C ZINC000588873932 438845534 /nfs/dbraw/zinc/84/55/34/438845534.db2.gz UAZMWJBJSHMVEQ-VIFPVBQESA-N 1 1 348.363 0.267 20 5 ECBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400489 438918175 /nfs/dbraw/zinc/91/81/75/438918175.db2.gz VBWHXFMEKWKCMO-AAEUAGOBSA-N 1 1 336.348 0.631 20 5 ECBDMO CC(C)C[NH+]1CCC(NC[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000565358330 438943735 /nfs/dbraw/zinc/94/37/35/438943735.db2.gz SZVNNAVVLRJVKS-HNNXBMFYSA-N 1 1 325.413 0.862 20 5 ECBDMO CC(C)CN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000565358330 438943739 /nfs/dbraw/zinc/94/37/39/438943739.db2.gz SZVNNAVVLRJVKS-HNNXBMFYSA-N 1 1 325.413 0.862 20 5 ECBDMO CC[N@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000596173497 438936964 /nfs/dbraw/zinc/93/69/64/438936964.db2.gz VSXGLUGQCCGZCH-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000519576501 439043457 /nfs/dbraw/zinc/04/34/57/439043457.db2.gz UZAPZWBGAYIRSA-GFCCVEGCSA-N 1 1 334.376 0.783 20 5 ECBDMO NC(=O)c1coc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591761710 439081535 /nfs/dbraw/zinc/08/15/35/439081535.db2.gz STWZHNQQYARCLS-NSHDSACASA-N 1 1 335.316 0.816 20 5 ECBDMO CNc1nccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597577880 439132107 /nfs/dbraw/zinc/13/21/07/439132107.db2.gz HMRZLDBZARVJNW-NWDGAFQWSA-N 1 1 337.355 1.290 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](CO)C1 ZINC000602906059 439156323 /nfs/dbraw/zinc/15/63/23/439156323.db2.gz PODMVCKNEAHKHD-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](CO)C1 ZINC000602906059 439156329 /nfs/dbraw/zinc/15/63/29/439156329.db2.gz PODMVCKNEAHKHD-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO CCCc1[nH]nc(C(=O)N(CCOC)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000592758784 439272682 /nfs/dbraw/zinc/27/26/82/439272682.db2.gz ORQGGNXJFQTZCI-UHFFFAOYSA-N 1 1 327.385 0.921 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593128627 439348111 /nfs/dbraw/zinc/34/81/11/439348111.db2.gz KKOJQDYHYOLYAH-GFCCVEGCSA-N 1 1 336.348 0.886 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593128627 439348118 /nfs/dbraw/zinc/34/81/18/439348118.db2.gz KKOJQDYHYOLYAH-GFCCVEGCSA-N 1 1 336.348 0.886 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000599103560 439357888 /nfs/dbraw/zinc/35/78/88/439357888.db2.gz XBXZUQMASSPAEK-VIFPVBQESA-N 1 1 329.382 0.281 20 5 ECBDMO Cc1c(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593397606 439376373 /nfs/dbraw/zinc/37/63/73/439376373.db2.gz MODUFQKIAGTGJN-CQSZACIVSA-N 1 1 334.376 0.864 20 5 ECBDMO Cc1c(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000593397606 439376377 /nfs/dbraw/zinc/37/63/77/439376377.db2.gz MODUFQKIAGTGJN-CQSZACIVSA-N 1 1 334.376 0.864 20 5 ECBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546223 439400206 /nfs/dbraw/zinc/40/02/06/439400206.db2.gz SKVUQILKEMRBJK-LBPRGKRZSA-N 1 1 326.378 0.847 20 5 ECBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546223 439400212 /nfs/dbraw/zinc/40/02/12/439400212.db2.gz SKVUQILKEMRBJK-LBPRGKRZSA-N 1 1 326.378 0.847 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1 ZINC000599263815 439406339 /nfs/dbraw/zinc/40/63/39/439406339.db2.gz RTIUCWKJGGJTSC-QWRGUYRKSA-N 1 1 343.409 0.433 20 5 ECBDMO CN(CC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000593855458 439478207 /nfs/dbraw/zinc/47/82/07/439478207.db2.gz RDRNNAQCERLZGP-CYBMUJFWSA-N 1 1 334.376 0.308 20 5 ECBDMO CN(CC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000593855458 439478212 /nfs/dbraw/zinc/47/82/12/439478212.db2.gz RDRNNAQCERLZGP-CYBMUJFWSA-N 1 1 334.376 0.308 20 5 ECBDMO COc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1F ZINC000593855178 439478424 /nfs/dbraw/zinc/47/84/24/439478424.db2.gz FMNLNFABKFYLTJ-SNVBAGLBSA-N 1 1 339.323 0.634 20 5 ECBDMO COc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1F ZINC000593855178 439478430 /nfs/dbraw/zinc/47/84/30/439478430.db2.gz FMNLNFABKFYLTJ-SNVBAGLBSA-N 1 1 339.323 0.634 20 5 ECBDMO CCc1nn(C)c(NC2CC[NH+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000583655253 439495314 /nfs/dbraw/zinc/49/53/14/439495314.db2.gz SYCQURAXTLANOM-UHFFFAOYSA-N 1 1 338.412 0.855 20 5 ECBDMO COc1cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000594025130 439508662 /nfs/dbraw/zinc/50/86/62/439508662.db2.gz AJKSDUYJZOJPLH-NWDGAFQWSA-N 1 1 325.340 0.993 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594386996 439552954 /nfs/dbraw/zinc/55/29/54/439552954.db2.gz QASBNCLYXSFZFN-QWHCGFSZSA-N 1 1 335.360 0.559 20 5 ECBDMO [NH3+][C@H]1CCC[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594582746 439580260 /nfs/dbraw/zinc/58/02/60/439580260.db2.gz BETRFRJDIUCMLP-NWDGAFQWSA-N 1 1 342.421 0.733 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609668200 439583434 /nfs/dbraw/zinc/58/34/34/439583434.db2.gz JLGFVBRAAKWWRE-LBPRGKRZSA-N 1 1 337.380 0.059 20 5 ECBDMO CNc1nccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000572496256 439586409 /nfs/dbraw/zinc/58/64/09/439586409.db2.gz GUCYTJKHHUFVQB-LLVKDONJSA-N 1 1 337.380 0.608 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600271911 439632281 /nfs/dbraw/zinc/63/22/81/439632281.db2.gz ITXYIGCAMFVUDI-SNVBAGLBSA-N 1 1 342.377 0.066 20 5 ECBDMO CN(CCC[NH+](C)C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594821146 439621645 /nfs/dbraw/zinc/62/16/45/439621645.db2.gz ITJNHUWTTGDMLI-UHFFFAOYSA-N 1 1 345.425 0.152 20 5 ECBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808121 439704280 /nfs/dbraw/zinc/70/42/80/439704280.db2.gz IUTOBMVXLRPTNW-AWEZNQCLSA-N 1 1 335.360 0.741 20 5 ECBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808121 439704284 /nfs/dbraw/zinc/70/42/84/439704284.db2.gz IUTOBMVXLRPTNW-AWEZNQCLSA-N 1 1 335.360 0.741 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611597559 439710258 /nfs/dbraw/zinc/71/02/58/439710258.db2.gz SWCMCMYGKCZRBL-LBPRGKRZSA-N 1 1 335.364 0.740 20 5 ECBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000612786316 439741035 /nfs/dbraw/zinc/74/10/35/439741035.db2.gz HINIJDWZLTTXPK-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000612786316 439741036 /nfs/dbraw/zinc/74/10/36/439741036.db2.gz HINIJDWZLTTXPK-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000342280063 321084540 /nfs/dbraw/zinc/08/45/40/321084540.db2.gz KZGSZGLEBJWPMX-NWDGAFQWSA-N 1 1 334.376 0.969 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000345362651 321184107 /nfs/dbraw/zinc/18/41/07/321184107.db2.gz PTAWVBYOMVDVLV-UHFFFAOYSA-N 1 1 340.428 0.442 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000345362651 321184108 /nfs/dbraw/zinc/18/41/08/321184108.db2.gz PTAWVBYOMVDVLV-UHFFFAOYSA-N 1 1 340.428 0.442 20 5 ECBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347511077 321242128 /nfs/dbraw/zinc/24/21/28/321242128.db2.gz AWBNTFZBJQPPRC-UHFFFAOYSA-N 1 1 338.412 0.426 20 5 ECBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000347511077 321242130 /nfs/dbraw/zinc/24/21/30/321242130.db2.gz AWBNTFZBJQPPRC-UHFFFAOYSA-N 1 1 338.412 0.426 20 5 ECBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248648 321271639 /nfs/dbraw/zinc/27/16/39/321271639.db2.gz PKXFSYPZHBAFAT-FPMFFAJLSA-N 1 1 326.353 0.032 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785803 321314936 /nfs/dbraw/zinc/31/49/36/321314936.db2.gz VDHVPIKRRZWUGF-SNVBAGLBSA-N 1 1 333.414 0.818 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352801782 321373159 /nfs/dbraw/zinc/37/31/59/321373159.db2.gz KMNBAKNUZUYWCI-OLZOCXBDSA-N 1 1 339.348 0.624 20 5 ECBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000534275077 322073861 /nfs/dbraw/zinc/07/38/61/322073861.db2.gz SNQHFLQVMZBDFS-OAHLLOKOSA-N 1 1 334.376 0.480 20 5 ECBDMO C[C@H](CN1CCOCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000540298579 322083613 /nfs/dbraw/zinc/08/36/13/322083613.db2.gz LQUYZNMFXWSZNK-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000578193167 322857615 /nfs/dbraw/zinc/85/76/15/322857615.db2.gz PSQUQCXYJYAQMQ-AAEUAGOBSA-N 1 1 341.389 0.655 20 5 ECBDMO COCCC[N@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266146667 536509856 /nfs/dbraw/zinc/50/98/56/536509856.db2.gz DQOSKMUOHLCXKD-UHFFFAOYSA-N 1 1 349.384 0.981 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266146667 536509860 /nfs/dbraw/zinc/50/98/60/536509860.db2.gz DQOSKMUOHLCXKD-UHFFFAOYSA-N 1 1 349.384 0.981 20 5 ECBDMO CCN1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000190209864 529041696 /nfs/dbraw/zinc/04/16/96/529041696.db2.gz MYONJAVUNAZCMA-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO CCN1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000190209864 529041700 /nfs/dbraw/zinc/04/17/00/529041700.db2.gz MYONJAVUNAZCMA-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO CC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C[C@@H](C)O ZINC000174593702 529271078 /nfs/dbraw/zinc/27/10/78/529271078.db2.gz HQBGIVWQFMQFPW-NEPJUHHUSA-N 1 1 325.369 0.095 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000749540333 579339281 /nfs/dbraw/zinc/33/92/81/579339281.db2.gz NQVVWKQEQQVBNJ-CMPLNLGQSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000749540333 579339282 /nfs/dbraw/zinc/33/92/82/579339282.db2.gz NQVVWKQEQQVBNJ-CMPLNLGQSA-N 1 1 338.412 0.990 20 5 ECBDMO NC(=O)C1CC[NH+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 ZINC000752787272 579390819 /nfs/dbraw/zinc/39/08/19/579390819.db2.gz YFZLFABIMDCDGX-UHFFFAOYSA-N 1 1 347.375 0.992 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(=O)N2CC[NH+](C)CC2)c1 ZINC000782314070 578723592 /nfs/dbraw/zinc/72/35/92/578723592.db2.gz QSGVYCSBOJMZBG-UHFFFAOYSA-N 1 1 336.348 0.567 20 5 ECBDMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CCO ZINC000779317743 579315059 /nfs/dbraw/zinc/31/50/59/579315059.db2.gz RWRZVSNLSHMYFW-NSHDSACASA-N 1 1 341.339 0.638 20 5 ECBDMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1CCO ZINC000779317743 579315060 /nfs/dbraw/zinc/31/50/60/579315060.db2.gz RWRZVSNLSHMYFW-NSHDSACASA-N 1 1 341.339 0.638 20 5 ECBDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761104184 579521851 /nfs/dbraw/zinc/52/18/51/579521851.db2.gz CHAUSEQHXGYKKO-BBRMVZONSA-N 1 1 348.403 0.699 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762720760 579547050 /nfs/dbraw/zinc/54/70/50/579547050.db2.gz ZNEPNLOWLUIRCT-ZDUSSCGKSA-N 1 1 329.303 0.869 20 5 ECBDMO COc1cc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888992469 586333733 /nfs/dbraw/zinc/33/37/33/586333733.db2.gz MPFYKAMUAREKAM-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO O=[N+]([O-])c1cccc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843054711 589048292 /nfs/dbraw/zinc/04/82/92/589048292.db2.gz CNEZFDMSJLZQBA-UHFFFAOYSA-N 1 1 340.405 0.014 20 5 ECBDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000898258158 586411649 /nfs/dbraw/zinc/41/16/49/586411649.db2.gz HTIRJZXRMNFVSN-UHFFFAOYSA-N 1 1 340.380 0.353 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000900221408 586533000 /nfs/dbraw/zinc/53/30/00/586533000.db2.gz PIPZIANFHOXJKK-DOTOQJQBSA-N 1 1 348.403 0.699 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000900221410 586533144 /nfs/dbraw/zinc/53/31/44/586533144.db2.gz PIPZIANFHOXJKK-RDJZCZTQSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900803935 586664802 /nfs/dbraw/zinc/66/48/02/586664802.db2.gz LGWHPVBDYPTAAU-WFASDCNBSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000900803935 586664805 /nfs/dbraw/zinc/66/48/05/586664805.db2.gz LGWHPVBDYPTAAU-WFASDCNBSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000900803935 586664807 /nfs/dbraw/zinc/66/48/07/586664807.db2.gz LGWHPVBDYPTAAU-WFASDCNBSA-N 1 1 335.408 0.757 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720177 586889975 /nfs/dbraw/zinc/88/99/75/586889975.db2.gz ICSBCPIHVQUEJK-ZJIFWQFVSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720177 586889977 /nfs/dbraw/zinc/88/99/77/586889977.db2.gz ICSBCPIHVQUEJK-ZJIFWQFVSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720177 586889979 /nfs/dbraw/zinc/88/99/79/586889979.db2.gz ICSBCPIHVQUEJK-ZJIFWQFVSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843996936 589086500 /nfs/dbraw/zinc/08/65/00/589086500.db2.gz MRPDYJHNVIUISJ-LLVKDONJSA-N 1 1 339.323 0.390 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843996936 589086501 /nfs/dbraw/zinc/08/65/01/589086501.db2.gz MRPDYJHNVIUISJ-LLVKDONJSA-N 1 1 339.323 0.390 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371271 587340382 /nfs/dbraw/zinc/34/03/82/587340382.db2.gz TWVTUZUMFUVAJL-NHYWBVRUSA-N 1 1 348.359 0.557 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371271 587340384 /nfs/dbraw/zinc/34/03/84/587340384.db2.gz TWVTUZUMFUVAJL-NHYWBVRUSA-N 1 1 348.359 0.557 20 5 ECBDMO COCCC[N@@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821687983 587622063 /nfs/dbraw/zinc/62/20/63/587622063.db2.gz YJHOCTUDTPKPBF-UHFFFAOYSA-N 1 1 336.356 0.550 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825410967 587938544 /nfs/dbraw/zinc/93/85/44/587938544.db2.gz BWMMFEHWCCFBEU-OAHLLOKOSA-N 1 1 337.376 0.809 20 5 ECBDMO CN(C)c1[nH+]cc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)n1C ZINC000825883537 587968842 /nfs/dbraw/zinc/96/88/42/587968842.db2.gz UDFUCWPHYAWPBY-ZDUSSCGKSA-N 1 1 333.348 0.744 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000827813068 588142208 /nfs/dbraw/zinc/14/22/08/588142208.db2.gz JNOCGUDPYKZCCP-GFCCVEGCSA-N 1 1 329.397 0.918 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000827813068 588142209 /nfs/dbraw/zinc/14/22/09/588142209.db2.gz JNOCGUDPYKZCCP-GFCCVEGCSA-N 1 1 329.397 0.918 20 5 ECBDMO C[N@H+]1CC[C@@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)C1 ZINC000830078325 588359454 /nfs/dbraw/zinc/35/94/54/588359454.db2.gz BWZUFMIYTDOROI-SECBINFHSA-N 1 1 325.346 0.691 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848765780 589309958 /nfs/dbraw/zinc/30/99/58/589309958.db2.gz GWCKOXFNOMYOGC-QWHCGFSZSA-N 1 1 335.360 0.566 20 5 ECBDMO COC(=O)N(C)CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000852569151 589500857 /nfs/dbraw/zinc/50/08/57/589500857.db2.gz GEAIQLSBOODZJC-LBPRGKRZSA-N 1 1 341.364 0.965 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)n1 ZINC000928102950 608676683 /nfs/dbraw/zinc/67/66/83/608676683.db2.gz KENHQWHESXFIJD-MWLCHTKSSA-N 1 1 325.394 0.638 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)n1 ZINC000928102950 608676687 /nfs/dbraw/zinc/67/66/87/608676687.db2.gz KENHQWHESXFIJD-MWLCHTKSSA-N 1 1 325.394 0.638 20 5 ECBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251101 608729031 /nfs/dbraw/zinc/72/90/31/608729031.db2.gz OZOACAGIDZXEJB-DZGCQCFKSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251101 608729033 /nfs/dbraw/zinc/72/90/33/608729033.db2.gz OZOACAGIDZXEJB-DZGCQCFKSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251101 608729035 /nfs/dbraw/zinc/72/90/35/608729035.db2.gz OZOACAGIDZXEJB-DZGCQCFKSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251103 608729094 /nfs/dbraw/zinc/72/90/94/608729094.db2.gz OZOACAGIDZXEJB-UKRRQHHQSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251103 608729096 /nfs/dbraw/zinc/72/90/96/608729096.db2.gz OZOACAGIDZXEJB-UKRRQHHQSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251103 608729097 /nfs/dbraw/zinc/72/90/97/608729097.db2.gz OZOACAGIDZXEJB-UKRRQHHQSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000919519662 610047518 /nfs/dbraw/zinc/04/75/18/610047518.db2.gz QYIZTDYWXGGKJY-LLVKDONJSA-N 1 1 327.341 0.086 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCNCC[NH2+]CC1 ZINC000923464623 611246304 /nfs/dbraw/zinc/24/63/04/611246304.db2.gz OYGZICKPQLZVGG-UHFFFAOYSA-N 1 1 335.408 0.727 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933972565 611762688 /nfs/dbraw/zinc/76/26/88/611762688.db2.gz ABMABCZSMYEBAQ-CWRNSKLLSA-N 1 1 338.360 0.824 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c1 ZINC000933972565 611762690 /nfs/dbraw/zinc/76/26/90/611762690.db2.gz ABMABCZSMYEBAQ-CWRNSKLLSA-N 1 1 338.360 0.824 20 5 ECBDMO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000954243505 612793319 /nfs/dbraw/zinc/79/33/19/612793319.db2.gz PGBRXUXGMBDJDP-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000954243505 612793321 /nfs/dbraw/zinc/79/33/21/612793321.db2.gz PGBRXUXGMBDJDP-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000954243505 612793322 /nfs/dbraw/zinc/79/33/22/612793322.db2.gz PGBRXUXGMBDJDP-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCc3[nH+]ccn3CC2)n1 ZINC001167182195 733036392 /nfs/dbraw/zinc/03/63/92/733036392.db2.gz NLHJPMQVLVVIJF-UHFFFAOYSA-N 1 1 331.336 0.911 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778544 739936274 /nfs/dbraw/zinc/93/62/74/739936274.db2.gz UMKJPBZOKNZEEF-LJIZCISZSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3ccc(F)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778544 739936276 /nfs/dbraw/zinc/93/62/76/739936276.db2.gz UMKJPBZOKNZEEF-LJIZCISZSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3ccc(F)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778544 739936277 /nfs/dbraw/zinc/93/62/77/739936277.db2.gz UMKJPBZOKNZEEF-LJIZCISZSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025806505 739985772 /nfs/dbraw/zinc/98/57/72/739985772.db2.gz BNNXIRLSESZUCM-FOLVSLTJSA-N 1 1 342.359 0.433 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997773307 743802104 /nfs/dbraw/zinc/80/21/04/743802104.db2.gz VXNRYCNEJXZHMX-HZPDHXFCSA-N 1 1 347.419 0.823 20 5 ECBDMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029248904 745440748 /nfs/dbraw/zinc/44/07/48/745440748.db2.gz QZLPLMDLWGHSDG-OKILXGFUSA-N 1 1 332.360 0.645 20 5 ECBDMO NC(=O)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC001029248904 745440752 /nfs/dbraw/zinc/44/07/52/745440752.db2.gz QZLPLMDLWGHSDG-OKILXGFUSA-N 1 1 332.360 0.645 20 5 ECBDMO Cc1noc(CCC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002787159 747785419 /nfs/dbraw/zinc/78/54/19/747785419.db2.gz GZKFIOPCXSXVGT-CHWSQXEVSA-N 1 1 337.380 0.556 20 5 ECBDMO CCn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001002788066 747786236 /nfs/dbraw/zinc/78/62/36/747786236.db2.gz MMIXFRWLGMAMGZ-HUUCEWRRSA-N 1 1 335.408 0.691 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001059647353 749104590 /nfs/dbraw/zinc/10/45/90/749104590.db2.gz WZISEHIOQMMJRT-PHIMTYICSA-N 1 1 346.347 0.960 20 5 ECBDMO NC(=O)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000981679367 750964140 /nfs/dbraw/zinc/96/41/40/750964140.db2.gz PZANGCUMCDHILL-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO COc1nscc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996440827 757607123 /nfs/dbraw/zinc/60/71/23/757607123.db2.gz MXQWDGQTCITBIV-VXGBXAGGSA-N 1 1 340.405 0.898 20 5 ECBDMO NC(=O)C(=O)N1CC2(C1)CC[NH+](Cc1csc([N+](=O)[O-])c1)CC2 ZINC001050641076 760615650 /nfs/dbraw/zinc/61/56/50/760615650.db2.gz OABWRVWTLGXYOH-UHFFFAOYSA-N 1 1 338.389 0.566 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]c(=O)c1 ZINC001031751112 767147695 /nfs/dbraw/zinc/14/76/95/767147695.db2.gz RPDGWCAKPXHIJW-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001055823192 769856251 /nfs/dbraw/zinc/85/62/51/769856251.db2.gz CYOVZVPRYGKMSV-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO Cn1oc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)cc1=O ZINC001031636646 771556454 /nfs/dbraw/zinc/55/64/54/771556454.db2.gz KMMYOTXWBVMMRJ-UHFFFAOYSA-N 1 1 346.343 0.748 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079744210 776789159 /nfs/dbraw/zinc/78/91/59/776789159.db2.gz WVCUJTPWETXDIH-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCC[N@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079744210 776789162 /nfs/dbraw/zinc/78/91/62/776789162.db2.gz WVCUJTPWETXDIH-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079744210 776789168 /nfs/dbraw/zinc/78/91/68/776789168.db2.gz WVCUJTPWETXDIH-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO COc1cccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC001072721439 788647834 /nfs/dbraw/zinc/64/78/34/788647834.db2.gz RRQMQDMWUVBNPM-ZIAGYGMSSA-N 1 1 346.387 0.790 20 5 ECBDMO C[NH+](C)CCCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073015586 789275655 /nfs/dbraw/zinc/27/56/55/789275655.db2.gz LBUYSHJFXAQRAQ-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[N@H+](CCNC(=O)c1cnn(C)n1)Cc1ccccc1[N+](=O)[O-] ZINC001266422907 835827029 /nfs/dbraw/zinc/82/70/29/835827029.db2.gz VANHDLXBZQYDPE-UHFFFAOYSA-N 1 1 332.364 0.975 20 5 ECBDMO CC[N@@H+](CCNC(=O)c1cnn(C)n1)Cc1ccccc1[N+](=O)[O-] ZINC001266422907 835827035 /nfs/dbraw/zinc/82/70/35/835827035.db2.gz VANHDLXBZQYDPE-UHFFFAOYSA-N 1 1 332.364 0.975 20 5 ECBDMO C[NH+]1CCN(c2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cn2)CC1 ZINC000159510564 529777376 /nfs/dbraw/zinc/77/73/76/529777376.db2.gz JSBXKEBDROJSQB-UHFFFAOYSA-N 1 1 345.363 0.395 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCOCC3)CC2)n1 ZINC000427357234 210194419 /nfs/dbraw/zinc/19/44/19/210194419.db2.gz ALTSVQSWEXGVKJ-UHFFFAOYSA-N 1 1 337.380 0.748 20 5 ECBDMO C[N@@H+](CCN1CCOCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181744432 529911513 /nfs/dbraw/zinc/91/15/13/529911513.db2.gz AIYLWDWIOUJAKA-CQSZACIVSA-N 1 1 339.392 0.599 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000424222936 209891265 /nfs/dbraw/zinc/89/12/65/209891265.db2.gz GSTSHJZFQOPQOK-WDEREUQCSA-N 1 1 347.379 0.571 20 5 ECBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187272586 236164535 /nfs/dbraw/zinc/16/45/35/236164535.db2.gz XKLUWTZOSHWFQO-SNVBAGLBSA-N 1 1 333.348 0.610 20 5 ECBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187272586 236164537 /nfs/dbraw/zinc/16/45/37/236164537.db2.gz XKLUWTZOSHWFQO-SNVBAGLBSA-N 1 1 333.348 0.610 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@H](C)O ZINC000246796881 243318628 /nfs/dbraw/zinc/31/86/28/243318628.db2.gz JRTJDGJLUHTVJU-CMPLNLGQSA-N 1 1 339.396 0.554 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@H](C)O ZINC000246796881 243318631 /nfs/dbraw/zinc/31/86/31/243318631.db2.gz JRTJDGJLUHTVJU-CMPLNLGQSA-N 1 1 339.396 0.554 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000111269663 220129697 /nfs/dbraw/zinc/12/96/97/220129697.db2.gz MGOXWVQYJYEIPI-OCCSQVGLSA-N 1 1 337.376 0.793 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458464201 211776833 /nfs/dbraw/zinc/77/68/33/211776833.db2.gz SYOGKHRWXGEPRY-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458464201 211776838 /nfs/dbraw/zinc/77/68/38/211776838.db2.gz SYOGKHRWXGEPRY-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO C[NH+](C)CCN1CCC(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000265124971 247226036 /nfs/dbraw/zinc/22/60/36/247226036.db2.gz OYENZIVFUFTFBQ-UHFFFAOYSA-N 1 1 338.412 0.181 20 5 ECBDMO Cc1[nH+]ccn1CCCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000266088615 248088684 /nfs/dbraw/zinc/08/86/84/248088684.db2.gz ONILEGKICBVIPW-UHFFFAOYSA-N 1 1 333.348 0.858 20 5 ECBDMO COCC[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000266162765 248141739 /nfs/dbraw/zinc/14/17/39/248141739.db2.gz OBHQDTQFLLVVJK-UHFFFAOYSA-N 1 1 344.393 0.011 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450800461 211344594 /nfs/dbraw/zinc/34/45/94/211344594.db2.gz YKGODVWWMIQDMY-RNCFNFMXSA-N 1 1 326.378 0.383 20 5 ECBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379715 211185895 /nfs/dbraw/zinc/18/58/95/211185895.db2.gz CAOXELJIGNFHKR-STQMWFEESA-N 1 1 328.369 0.137 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444831236 211100366 /nfs/dbraw/zinc/10/03/66/211100366.db2.gz YWQQKEUBXOHJDL-GFCCVEGCSA-N 1 1 338.364 0.782 20 5 ECBDMO O=C1NC[C@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663028 251234145 /nfs/dbraw/zinc/23/41/45/251234145.db2.gz NFKOMWTYVRTJTJ-QWHCGFSZSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663028 251234149 /nfs/dbraw/zinc/23/41/49/251234149.db2.gz NFKOMWTYVRTJTJ-QWHCGFSZSA-N 1 1 336.348 0.044 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413214265 208296802 /nfs/dbraw/zinc/29/68/02/208296802.db2.gz ZRXDXMZVIAMAMF-CYBMUJFWSA-N 1 1 337.355 0.872 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000430199434 210358199 /nfs/dbraw/zinc/35/81/99/210358199.db2.gz BSDZZTKPYFVEES-UHFFFAOYSA-N 1 1 334.332 0.777 20 5 ECBDMO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419329378 209061897 /nfs/dbraw/zinc/06/18/97/209061897.db2.gz FCHWECZXXZEWEM-NEPJUHHUSA-N 1 1 336.392 0.581 20 5 ECBDMO O=[N+]([O-])c1cn(C[C@H](O)C[NH+]2CCOCC2)nc1-c1ccncc1 ZINC000074798381 296617390 /nfs/dbraw/zinc/61/73/90/296617390.db2.gz SJMLECRHDSVTGZ-CYBMUJFWSA-N 1 1 333.348 0.546 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188821454 165001861 /nfs/dbraw/zinc/00/18/61/165001861.db2.gz PMCWDPUBXBESHO-LLVKDONJSA-N 1 1 339.396 0.323 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000188821454 165001864 /nfs/dbraw/zinc/00/18/64/165001864.db2.gz PMCWDPUBXBESHO-LLVKDONJSA-N 1 1 339.396 0.323 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(CO)CO ZINC000159523154 225233417 /nfs/dbraw/zinc/23/34/17/225233417.db2.gz YQKSBFHDNGSLKR-LLVKDONJSA-N 1 1 325.365 0.845 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(CO)CO ZINC000159523154 225233421 /nfs/dbraw/zinc/23/34/21/225233421.db2.gz YQKSBFHDNGSLKR-LLVKDONJSA-N 1 1 325.365 0.845 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCC[N@H+]1CCc2ccccc2C1 ZINC000194059737 263168380 /nfs/dbraw/zinc/16/83/80/263168380.db2.gz LSICPHPHJOKAHJ-UHFFFAOYSA-N 1 1 329.360 0.966 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000194811951 263169216 /nfs/dbraw/zinc/16/92/16/263169216.db2.gz PUMYKSTYVDUBNP-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000264439263 263177785 /nfs/dbraw/zinc/17/77/85/263177785.db2.gz ZBOPBZYKBUPPPI-DGCLKSJQSA-N 1 1 341.364 0.157 20 5 ECBDMO COCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000264439263 263177786 /nfs/dbraw/zinc/17/77/86/263177786.db2.gz ZBOPBZYKBUPPPI-DGCLKSJQSA-N 1 1 341.364 0.157 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270681029 263262612 /nfs/dbraw/zinc/26/26/12/263262612.db2.gz MORKGQMNNUKKNB-LLVKDONJSA-N 1 1 335.364 0.974 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000270964771 263288804 /nfs/dbraw/zinc/28/88/04/263288804.db2.gz AVMFREBSCZWHJG-LLVKDONJSA-N 1 1 339.396 0.847 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000272951719 263381996 /nfs/dbraw/zinc/38/19/96/263381996.db2.gz XTNUXJUWDJSRCJ-LBPRGKRZSA-N 1 1 338.389 0.693 20 5 ECBDMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000275126946 263554144 /nfs/dbraw/zinc/55/41/44/263554144.db2.gz BDCDNOPTCWLWOM-CQSZACIVSA-N 1 1 345.359 0.541 20 5 ECBDMO C[C@H](O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276209912 263686048 /nfs/dbraw/zinc/68/60/48/263686048.db2.gz OYFUGYLNBVVHKT-SGMGOOAPSA-N 1 1 328.365 0.398 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000282725640 264059345 /nfs/dbraw/zinc/05/93/45/264059345.db2.gz CGCMPRHFJHQHBU-NXEZZACHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000282725640 264059349 /nfs/dbraw/zinc/05/93/49/264059349.db2.gz CGCMPRHFJHQHBU-NXEZZACHSA-N 1 1 340.355 0.843 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000285473988 264316835 /nfs/dbraw/zinc/31/68/35/264316835.db2.gz HQZYLFYKNAEAST-ZIAGYGMSSA-N 1 1 339.348 0.624 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000292410497 264794362 /nfs/dbraw/zinc/79/43/62/264794362.db2.gz VRZABQNZOREVIG-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000189342791 437593666 /nfs/dbraw/zinc/59/36/66/437593666.db2.gz LQKMFXVXSXIVJU-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264022291 276071264 /nfs/dbraw/zinc/07/12/64/276071264.db2.gz WYIUGRUMULRWFV-UHFFFAOYSA-N 1 1 345.377 0.596 20 5 ECBDMO COCC[N@@H+](C)CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000338675401 297288275 /nfs/dbraw/zinc/28/82/75/297288275.db2.gz DNJAVPKPZHJFFP-UHFFFAOYSA-N 1 1 327.385 0.611 20 5 ECBDMO O=C(NCC[NH+]1CCC1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000345574899 298170230 /nfs/dbraw/zinc/17/02/30/298170230.db2.gz TVWGKCQSEQJCHL-UHFFFAOYSA-N 1 1 334.376 0.867 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000363944024 300309736 /nfs/dbraw/zinc/30/97/36/300309736.db2.gz YIQGMHRZTMDQJY-ZDUSSCGKSA-N 1 1 337.380 0.423 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000072830592 436056914 /nfs/dbraw/zinc/05/69/14/436056914.db2.gz VQPLDZHADWUDQA-MRXNPFEDSA-N 1 1 332.360 0.796 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375325728 301167635 /nfs/dbraw/zinc/16/76/35/301167635.db2.gz AFCRTIHZZCZZOJ-CHWSQXEVSA-N 1 1 333.348 0.873 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000375503103 301181828 /nfs/dbraw/zinc/18/18/28/301181828.db2.gz ZCPGWLRHKVQLEK-LBPRGKRZSA-N 1 1 336.392 0.582 20 5 ECBDMO COC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C1CC1 ZINC000375789948 301210016 /nfs/dbraw/zinc/21/00/16/301210016.db2.gz VJDJPVLVJHZSKS-KGLIPLIRSA-N 1 1 335.360 0.888 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000377923171 301391299 /nfs/dbraw/zinc/39/12/99/301391299.db2.gz YDHVSSVYHWAJBQ-CYBMUJFWSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000377923171 301391301 /nfs/dbraw/zinc/39/13/01/301391301.db2.gz YDHVSSVYHWAJBQ-CYBMUJFWSA-N 1 1 329.378 0.727 20 5 ECBDMO COCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077408664 436236818 /nfs/dbraw/zinc/23/68/18/436236818.db2.gz GPKYNJOOAQUOIX-UHFFFAOYSA-N 1 1 336.392 0.822 20 5 ECBDMO COCC[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077408664 436236821 /nfs/dbraw/zinc/23/68/21/436236821.db2.gz GPKYNJOOAQUOIX-UHFFFAOYSA-N 1 1 336.392 0.822 20 5 ECBDMO O=C1CNC(=O)N1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000076996331 436223662 /nfs/dbraw/zinc/22/36/62/436223662.db2.gz DDMARHDHMCNSCG-UHFFFAOYSA-N 1 1 333.348 0.269 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000083246552 436371271 /nfs/dbraw/zinc/37/12/71/436371271.db2.gz YXONREHDTBSGAQ-OAHLLOKOSA-N 1 1 339.392 0.728 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000083246552 436371275 /nfs/dbraw/zinc/37/12/75/436371275.db2.gz YXONREHDTBSGAQ-OAHLLOKOSA-N 1 1 339.392 0.728 20 5 ECBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000054223537 436547011 /nfs/dbraw/zinc/54/70/11/436547011.db2.gz LVQJBCLVXVEPGR-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000109330545 436624745 /nfs/dbraw/zinc/62/47/45/436624745.db2.gz WKTDCTGWQNTWRS-AWEZNQCLSA-N 1 1 334.376 0.974 20 5 ECBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000106820645 436603706 /nfs/dbraw/zinc/60/37/06/436603706.db2.gz UCOGIKOTHJSRAR-CYBMUJFWSA-N 1 1 335.408 0.759 20 5 ECBDMO NC(=O)c1c[nH+]ccc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000547282321 302254006 /nfs/dbraw/zinc/25/40/06/302254006.db2.gz WXHFDAFJGVQGTN-UHFFFAOYSA-N 1 1 328.332 0.810 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000065722585 436670691 /nfs/dbraw/zinc/67/06/91/436670691.db2.gz MJBPXWCPYGINPL-ZDUSSCGKSA-N 1 1 339.396 0.573 20 5 ECBDMO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(OC)OC ZINC000274293266 436813317 /nfs/dbraw/zinc/81/33/17/436813317.db2.gz HFZZDRKGDRHRNO-UHFFFAOYSA-N 1 1 330.341 0.275 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000069499784 436776384 /nfs/dbraw/zinc/77/63/84/436776384.db2.gz WUXXBQDNRKYPGS-CYBMUJFWSA-N 1 1 339.396 0.717 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000155515592 436797469 /nfs/dbraw/zinc/79/74/69/436797469.db2.gz ZTPSTGKDFNYOIZ-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000155515592 436797471 /nfs/dbraw/zinc/79/74/71/436797471.db2.gz ZTPSTGKDFNYOIZ-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140603 436847781 /nfs/dbraw/zinc/84/77/81/436847781.db2.gz IEHSHEZTTRQRBL-AWEZNQCLSA-N 1 1 336.396 0.205 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000280769392 436920080 /nfs/dbraw/zinc/92/00/80/436920080.db2.gz PBWFJCDRABRBAR-INIZCTEOSA-N 1 1 332.360 0.681 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261789655 436888366 /nfs/dbraw/zinc/88/83/66/436888366.db2.gz UFYQDDDQYPMMDT-ZDUSSCGKSA-N 1 1 345.359 0.880 20 5 ECBDMO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134324163 436895941 /nfs/dbraw/zinc/89/59/41/436895941.db2.gz KXOFWZLICSLRSV-NSHDSACASA-N 1 1 331.398 0.193 20 5 ECBDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134324163 436895947 /nfs/dbraw/zinc/89/59/47/436895947.db2.gz KXOFWZLICSLRSV-NSHDSACASA-N 1 1 331.398 0.193 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000162640798 436909097 /nfs/dbraw/zinc/90/90/97/436909097.db2.gz YABZFSWEHYLMSZ-UHFFFAOYSA-N 1 1 325.293 0.476 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275460471 436971839 /nfs/dbraw/zinc/97/18/39/436971839.db2.gz YVDFXBQVAZUTNV-NWDGAFQWSA-N 1 1 336.392 0.846 20 5 ECBDMO COc1ccc(CNC(=O)[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000263691507 436977802 /nfs/dbraw/zinc/97/78/02/436977802.db2.gz PSUHUVRZYGQNRF-LBPRGKRZSA-N 1 1 336.392 0.856 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000275853188 437022517 /nfs/dbraw/zinc/02/25/17/437022517.db2.gz NAOYUDYGFJVGKF-UHFFFAOYSA-N 1 1 325.369 0.893 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000275853188 437022520 /nfs/dbraw/zinc/02/25/20/437022520.db2.gz NAOYUDYGFJVGKF-UHFFFAOYSA-N 1 1 325.369 0.893 20 5 ECBDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264463154 437033159 /nfs/dbraw/zinc/03/31/59/437033159.db2.gz QGCXSLBLNJGVCL-UHFFFAOYSA-N 1 1 343.405 0.672 20 5 ECBDMO NC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275595766 436988663 /nfs/dbraw/zinc/98/86/63/436988663.db2.gz JYAWISOTFUXBAP-SECBINFHSA-N 1 1 339.327 0.805 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000171808560 436989249 /nfs/dbraw/zinc/98/92/49/436989249.db2.gz VPHYLSNMBNIIPC-JTQLQIEISA-N 1 1 325.369 0.721 20 5 ECBDMO C[C@H](CO)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H](C)O ZINC000276209904 437073394 /nfs/dbraw/zinc/07/33/94/437073394.db2.gz OYFUGYLNBVVHKT-MBNYWOFBSA-N 1 1 328.365 0.398 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000176389975 437141496 /nfs/dbraw/zinc/14/14/96/437141496.db2.gz PEWPLYUQRRZRLT-NSHDSACASA-N 1 1 334.376 0.798 20 5 ECBDMO O=C(CC[N@@H+]1CCN2C(=O)NC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000175882469 437119862 /nfs/dbraw/zinc/11/98/62/437119862.db2.gz PXOJLEVFUPRFMH-NSHDSACASA-N 1 1 333.348 0.633 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000175882469 437119865 /nfs/dbraw/zinc/11/98/65/437119865.db2.gz PXOJLEVFUPRFMH-NSHDSACASA-N 1 1 333.348 0.633 20 5 ECBDMO COCC[N@H+]1CCCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000276570716 437129349 /nfs/dbraw/zinc/12/93/49/437129349.db2.gz MZBATSFVLZMIEP-UHFFFAOYSA-N 1 1 338.364 0.935 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000326760691 437235368 /nfs/dbraw/zinc/23/53/68/437235368.db2.gz NUFDMLVORDUAPC-CQSZACIVSA-N 1 1 335.364 0.792 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000181390112 437319780 /nfs/dbraw/zinc/31/97/80/437319780.db2.gz ODSLPLHVWWRNTB-HNNXBMFYSA-N 1 1 345.359 0.880 20 5 ECBDMO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958168 437270848 /nfs/dbraw/zinc/27/08/48/437270848.db2.gz VYNPXNIRRSWGAM-PWSUYJOCSA-N 1 1 344.393 0.133 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000288109485 437279947 /nfs/dbraw/zinc/27/99/47/437279947.db2.gz SEVQWVNBSOEELX-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278111114 437282349 /nfs/dbraw/zinc/28/23/49/437282349.db2.gz RSKONSSVCLPRSH-LBPRGKRZSA-N 1 1 338.364 0.662 20 5 ECBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334005380 437293056 /nfs/dbraw/zinc/29/30/56/437293056.db2.gz RAZSXRSIWWJNDP-RYUDHWBXSA-N 1 1 334.376 0.876 20 5 ECBDMO COCCOCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289069224 437379529 /nfs/dbraw/zinc/37/95/29/437379529.db2.gz RXZQKJDOFHASRJ-AWEZNQCLSA-N 1 1 328.365 0.929 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C[C@H](C)O ZINC000289693817 437433896 /nfs/dbraw/zinc/43/38/96/437433896.db2.gz HBEXPWZIIPGQAN-JTQLQIEISA-N 1 1 327.337 0.217 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C[C@H](C)O ZINC000289693817 437433900 /nfs/dbraw/zinc/43/39/00/437433900.db2.gz HBEXPWZIIPGQAN-JTQLQIEISA-N 1 1 327.337 0.217 20 5 ECBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339039285 437435976 /nfs/dbraw/zinc/43/59/76/437435976.db2.gz AVQHLTIWWIOVFG-UHFFFAOYSA-N 1 1 333.414 0.821 20 5 ECBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185758653 437452051 /nfs/dbraw/zinc/45/20/51/437452051.db2.gz CGOADFOZEGCUMH-ZDUSSCGKSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185758653 437452053 /nfs/dbraw/zinc/45/20/53/437452053.db2.gz CGOADFOZEGCUMH-ZDUSSCGKSA-N 1 1 343.405 0.984 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C[C@H](C)O ZINC000290014239 437456338 /nfs/dbraw/zinc/45/63/38/437456338.db2.gz ZZHNKSSWJGDFNZ-LBPRGKRZSA-N 1 1 325.365 0.907 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]Cc2ccccc21 ZINC000269191974 437467140 /nfs/dbraw/zinc/46/71/40/437467140.db2.gz YAAWJSRPYUPTGU-UHFFFAOYSA-N 1 1 328.328 0.893 20 5 ECBDMO COc1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343217902 437538601 /nfs/dbraw/zinc/53/86/01/437538601.db2.gz AYIMXXPRIMTEFV-CQSZACIVSA-N 1 1 334.376 0.610 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291026997 437552353 /nfs/dbraw/zinc/55/23/53/437552353.db2.gz YIMIAHSDXDRDMU-SNVBAGLBSA-N 1 1 337.380 0.370 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000188633077 437559293 /nfs/dbraw/zinc/55/92/93/437559293.db2.gz LGDPJNIDYPKRDS-NSHDSACASA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000188690842 437563722 /nfs/dbraw/zinc/56/37/22/437563722.db2.gz YGHSZYISZVCLRP-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000188690842 437563727 /nfs/dbraw/zinc/56/37/27/437563727.db2.gz YGHSZYISZVCLRP-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000330961905 437656793 /nfs/dbraw/zinc/65/67/93/437656793.db2.gz PXOJBWFRCHCRMD-JQWIXIFHSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000330961905 437656797 /nfs/dbraw/zinc/65/67/97/437656797.db2.gz PXOJBWFRCHCRMD-JQWIXIFHSA-N 1 1 338.412 0.990 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000191838098 437656905 /nfs/dbraw/zinc/65/69/05/437656905.db2.gz YOGZIHVXJZOVGV-GFCCVEGCSA-N 1 1 337.380 0.606 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000331219382 437719636 /nfs/dbraw/zinc/71/96/36/437719636.db2.gz IKEGHDJZQZBOBH-SNVBAGLBSA-N 1 1 331.398 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000331219382 437719641 /nfs/dbraw/zinc/71/96/41/437719641.db2.gz IKEGHDJZQZBOBH-SNVBAGLBSA-N 1 1 331.398 0.526 20 5 ECBDMO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043283 437722254 /nfs/dbraw/zinc/72/22/54/437722254.db2.gz IJDWZAUTUIMMLJ-CWSCBRNRSA-N 1 1 349.343 0.965 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043283 437722257 /nfs/dbraw/zinc/72/22/57/437722257.db2.gz IJDWZAUTUIMMLJ-CWSCBRNRSA-N 1 1 349.343 0.965 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000356739715 437820636 /nfs/dbraw/zinc/82/06/36/437820636.db2.gz OUJRDJCPNALNAL-GHMZBOCLSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1C[C@@H](C)O ZINC000356739715 437820637 /nfs/dbraw/zinc/82/06/37/437820637.db2.gz OUJRDJCPNALNAL-GHMZBOCLSA-N 1 1 325.369 0.246 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416303198 437914318 /nfs/dbraw/zinc/91/43/18/437914318.db2.gz XMKYGAYSTNITGO-GHMZBOCLSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416303198 437914324 /nfs/dbraw/zinc/91/43/24/437914324.db2.gz XMKYGAYSTNITGO-GHMZBOCLSA-N 1 1 325.369 0.013 20 5 ECBDMO CNC(=O)[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000341868811 437917137 /nfs/dbraw/zinc/91/71/37/437917137.db2.gz NJVIHDFKNQFJQO-AWEZNQCLSA-N 1 1 338.364 0.902 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578967 437961560 /nfs/dbraw/zinc/96/15/60/437961560.db2.gz HCPUFSGLUUFQJB-RYUDHWBXSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578967 437961565 /nfs/dbraw/zinc/96/15/65/437961565.db2.gz HCPUFSGLUUFQJB-RYUDHWBXSA-N 1 1 335.364 0.787 20 5 ECBDMO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000347886636 437974586 /nfs/dbraw/zinc/97/45/86/437974586.db2.gz OPFZJMVBNPHDSC-CYBMUJFWSA-N 1 1 336.392 0.969 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371991113 438018291 /nfs/dbraw/zinc/01/82/91/438018291.db2.gz IWSHPEDWANWIBA-JQWIXIFHSA-N 1 1 335.364 0.555 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371991113 438018296 /nfs/dbraw/zinc/01/82/96/438018296.db2.gz IWSHPEDWANWIBA-JQWIXIFHSA-N 1 1 335.364 0.555 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372162936 438042505 /nfs/dbraw/zinc/04/25/05/438042505.db2.gz NJPVBHRSSZVIIL-QWHCGFSZSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372162936 438042513 /nfs/dbraw/zinc/04/25/13/438042513.db2.gz NJPVBHRSSZVIIL-QWHCGFSZSA-N 1 1 329.378 0.252 20 5 ECBDMO Cn1c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000358012514 438123400 /nfs/dbraw/zinc/12/34/00/438123400.db2.gz IKZGUFMTGMEUNN-UHFFFAOYSA-N 1 1 337.424 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034617 438126604 /nfs/dbraw/zinc/12/66/04/438126604.db2.gz HIKPOPMGOVRQGY-RISCZKNCSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034617 438126609 /nfs/dbraw/zinc/12/66/09/438126609.db2.gz HIKPOPMGOVRQGY-RISCZKNCSA-N 1 1 342.421 0.413 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358215270 438184542 /nfs/dbraw/zinc/18/45/42/438184542.db2.gz RTWVRDBOWSDRDR-LBPRGKRZSA-N 1 1 349.796 0.593 20 5 ECBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCSC1 ZINC000433195873 438229122 /nfs/dbraw/zinc/22/91/22/438229122.db2.gz ZFWVHGHVEHGYTI-JSGCOSHPSA-N 1 1 344.437 0.996 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368057672 438282512 /nfs/dbraw/zinc/28/25/12/438282512.db2.gz VHKSPGLIXCWCMG-PWSUYJOCSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368057672 438282514 /nfs/dbraw/zinc/28/25/14/438282514.db2.gz VHKSPGLIXCWCMG-PWSUYJOCSA-N 1 1 348.359 0.610 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368859103 438393889 /nfs/dbraw/zinc/39/38/89/438393889.db2.gz FHBYLGPPEDOLSY-HIFRSBDPSA-N 1 1 335.360 0.953 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351877505 438353787 /nfs/dbraw/zinc/35/37/87/438353787.db2.gz QFBDUJGUFSGPGP-NSHDSACASA-N 1 1 343.409 0.367 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351877505 438353792 /nfs/dbraw/zinc/35/37/92/438353792.db2.gz QFBDUJGUFSGPGP-NSHDSACASA-N 1 1 343.409 0.367 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000368723864 438374231 /nfs/dbraw/zinc/37/42/31/438374231.db2.gz GQPXTULUZXFZIR-UHFFFAOYSA-N 1 1 337.380 0.372 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967308 438406223 /nfs/dbraw/zinc/40/62/23/438406223.db2.gz WQRBGFISRUHKMR-SUHUHFCYSA-N 1 1 332.360 0.780 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967308 438406225 /nfs/dbraw/zinc/40/62/25/438406225.db2.gz WQRBGFISRUHKMR-SUHUHFCYSA-N 1 1 332.360 0.780 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CCO)CCOCC1 ZINC000352996620 438497472 /nfs/dbraw/zinc/49/74/72/438497472.db2.gz INYCUIUCKHLDAB-CYBMUJFWSA-N 1 1 328.369 0.016 20 5 ECBDMO C[N@H+](CC(=O)NCc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440696199 438561812 /nfs/dbraw/zinc/56/18/12/438561812.db2.gz IIEWUOCCVODNHQ-HNNXBMFYSA-N 1 1 347.375 0.400 20 5 ECBDMO COc1ccc(OCC[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451633398 438702334 /nfs/dbraw/zinc/70/23/34/438702334.db2.gz MTECHBAIRQUIDE-PHIMTYICSA-N 1 1 335.316 0.187 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452388699 438659450 /nfs/dbraw/zinc/65/94/50/438659450.db2.gz KDIAKCHIBOXDMZ-NSHDSACASA-N 1 1 339.396 0.847 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000415073641 438728409 /nfs/dbraw/zinc/72/84/09/438728409.db2.gz BFKPCEYLKQWESV-GFCCVEGCSA-N 1 1 342.421 0.462 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767853 438752450 /nfs/dbraw/zinc/75/24/50/438752450.db2.gz VRSSZNBJBATEOF-MNOVXSKESA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767853 438752452 /nfs/dbraw/zinc/75/24/52/438752452.db2.gz VRSSZNBJBATEOF-MNOVXSKESA-N 1 1 337.380 0.559 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457140042 438797638 /nfs/dbraw/zinc/79/76/38/438797638.db2.gz XIVSEYHMYDAXLK-SNVBAGLBSA-N 1 1 333.348 0.610 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457140042 438797640 /nfs/dbraw/zinc/79/76/40/438797640.db2.gz XIVSEYHMYDAXLK-SNVBAGLBSA-N 1 1 333.348 0.610 20 5 ECBDMO CCN1CC[NH+]([C@@H]2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)C2)CC1 ZINC000587972522 438811446 /nfs/dbraw/zinc/81/14/46/438811446.db2.gz PXPVDVAUPQSRQX-CQSZACIVSA-N 1 1 349.435 0.886 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601173016 438825425 /nfs/dbraw/zinc/82/54/25/438825425.db2.gz OTHVNMSUHCGACH-MRVPVSSYSA-N 1 1 337.302 0.850 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601173016 438825429 /nfs/dbraw/zinc/82/54/29/438825429.db2.gz OTHVNMSUHCGACH-MRVPVSSYSA-N 1 1 337.302 0.850 20 5 ECBDMO NC(=O)C1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOCC1 ZINC000595728352 438848498 /nfs/dbraw/zinc/84/84/98/438848498.db2.gz MMCBKULKXDDFRJ-UHFFFAOYSA-N 1 1 348.359 0.108 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595735557 438850756 /nfs/dbraw/zinc/85/07/56/438850756.db2.gz AZKSEXXZACVKHY-AAEUAGOBSA-N 1 1 332.360 0.794 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@@H]2C1 ZINC000590011911 438897923 /nfs/dbraw/zinc/89/79/23/438897923.db2.gz MUZCOKDNWJRZIW-ZWNOBZJWSA-N 1 1 348.359 0.898 20 5 ECBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595851212 438871118 /nfs/dbraw/zinc/87/11/18/438871118.db2.gz POUKIECFXJKBEJ-OCCSQVGLSA-N 1 1 339.396 0.389 20 5 ECBDMO CN1CCC([N@@H+]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572734 438878369 /nfs/dbraw/zinc/87/83/69/438878369.db2.gz WSTMZDBAWFHTLQ-NSHDSACASA-N 1 1 348.407 0.669 20 5 ECBDMO CN1CCC([N@H+]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])C2)CC1 ZINC000589572734 438878373 /nfs/dbraw/zinc/87/83/73/438878373.db2.gz WSTMZDBAWFHTLQ-NSHDSACASA-N 1 1 348.407 0.669 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589928007 438893543 /nfs/dbraw/zinc/89/35/43/438893543.db2.gz CGILVUCAKHETLF-JQWIXIFHSA-N 1 1 341.389 0.928 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596075017 438922896 /nfs/dbraw/zinc/92/28/96/438922896.db2.gz WYQQJPYDZMRLME-UHFFFAOYSA-N 1 1 327.772 0.687 20 5 ECBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000459490252 438970625 /nfs/dbraw/zinc/97/06/25/438970625.db2.gz BJVFTALXLFDYQY-UHFFFAOYSA-N 1 1 349.391 0.361 20 5 ECBDMO CNc1nccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694548 439162467 /nfs/dbraw/zinc/16/24/67/439162467.db2.gz LDZFQYNIKIOZBX-OLZOCXBDSA-N 1 1 349.391 0.967 20 5 ECBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@H]1C ZINC000489447163 439229016 /nfs/dbraw/zinc/22/90/16/439229016.db2.gz KBSGIBGMUKZFTG-FPMFFAJLSA-N 1 1 328.369 0.278 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000599109072 439359756 /nfs/dbraw/zinc/35/97/56/439359756.db2.gz ZMRTVKSNTVKFNB-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO CCc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599107373 439360512 /nfs/dbraw/zinc/36/05/12/439360512.db2.gz NRLOWHJLYFNSPQ-NSHDSACASA-N 1 1 329.378 0.424 20 5 ECBDMO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599129521 439365444 /nfs/dbraw/zinc/36/54/44/439365444.db2.gz CJFCRGJBTAZRFJ-HNNXBMFYSA-N 1 1 337.380 0.600 20 5 ECBDMO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599129521 439365450 /nfs/dbraw/zinc/36/54/50/439365450.db2.gz CJFCRGJBTAZRFJ-HNNXBMFYSA-N 1 1 337.380 0.600 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000599129520 439366273 /nfs/dbraw/zinc/36/62/73/439366273.db2.gz CEWFHWJTGHOUBL-AWEZNQCLSA-N 1 1 344.375 1.290 20 5 ECBDMO CC[NH+]1CCC(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599219213 439387110 /nfs/dbraw/zinc/38/71/10/439387110.db2.gz WRPZHVGJNSMCOW-UHFFFAOYSA-N 1 1 331.398 0.339 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000593625785 439425778 /nfs/dbraw/zinc/42/57/78/439425778.db2.gz QANCPHSAQGGBDB-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000593625785 439425783 /nfs/dbraw/zinc/42/57/83/439425783.db2.gz QANCPHSAQGGBDB-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227775 439437127 /nfs/dbraw/zinc/43/71/27/439437127.db2.gz ZNNKILRZIPLLHV-RISCZKNCSA-N 1 1 326.349 0.657 20 5 ECBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)C(F)(F)F ZINC000594018393 439507108 /nfs/dbraw/zinc/50/71/08/439507108.db2.gz WQSDXSIRPHRVDM-SECBINFHSA-N 1 1 326.275 0.663 20 5 ECBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)C(F)(F)F ZINC000594018393 439507112 /nfs/dbraw/zinc/50/71/12/439507112.db2.gz WQSDXSIRPHRVDM-SECBINFHSA-N 1 1 326.275 0.663 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594290548 439534755 /nfs/dbraw/zinc/53/47/55/439534755.db2.gz CWASNPMBZXJLGZ-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594290548 439534759 /nfs/dbraw/zinc/53/47/59/439534759.db2.gz CWASNPMBZXJLGZ-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594290548 439534765 /nfs/dbraw/zinc/53/47/65/439534765.db2.gz CWASNPMBZXJLGZ-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO COCC[NH+]1CCN(C(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000609045777 439550691 /nfs/dbraw/zinc/55/06/91/439550691.db2.gz JXZUNBUPBHUAJR-UHFFFAOYSA-N 1 1 337.376 0.937 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)n2)c1 ZINC000594041631 439512265 /nfs/dbraw/zinc/51/22/65/439512265.db2.gz CWPMGFMHRXKDGO-UONOGXRCSA-N 1 1 345.359 0.896 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594754532 439602431 /nfs/dbraw/zinc/60/24/31/439602431.db2.gz LWCIQSLPFBBOIY-LLVKDONJSA-N 1 1 326.378 0.752 20 5 ECBDMO COC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368535 439611905 /nfs/dbraw/zinc/61/19/05/439611905.db2.gz JAHBEBDNEHQXRA-WCQYABFASA-N 1 1 326.353 0.570 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611528271 439702947 /nfs/dbraw/zinc/70/29/47/439702947.db2.gz BRKVKQJBAHIEEW-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611528271 439702949 /nfs/dbraw/zinc/70/29/49/439702949.db2.gz BRKVKQJBAHIEEW-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000611528271 439702953 /nfs/dbraw/zinc/70/29/53/439702953.db2.gz BRKVKQJBAHIEEW-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600807648 439704422 /nfs/dbraw/zinc/70/44/22/439704422.db2.gz JRUJHFXOFQQRSL-JTQLQIEISA-N 1 1 337.332 0.162 20 5 ECBDMO Cc1noc(C[N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595288705 439691104 /nfs/dbraw/zinc/69/11/04/439691104.db2.gz RZPKMHPDAVCQDM-GFCCVEGCSA-N 1 1 338.364 0.962 20 5 ECBDMO Cc1noc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595288705 439691106 /nfs/dbraw/zinc/69/11/06/439691106.db2.gz RZPKMHPDAVCQDM-GFCCVEGCSA-N 1 1 338.364 0.962 20 5 ECBDMO Cc1noc(C[NH+]2CCC(n3cnc(C(N)=O)c3N)CC2)c1[N+](=O)[O-] ZINC000595475765 439731620 /nfs/dbraw/zinc/73/16/20/439731620.db2.gz KFNJNQWGJTXITJ-UHFFFAOYSA-N 1 1 349.351 0.606 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000611834619 439732475 /nfs/dbraw/zinc/73/24/75/439732475.db2.gz ZCJWSKMYTKXDOP-CYBMUJFWSA-N 1 1 334.376 0.843 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000611871409 439733716 /nfs/dbraw/zinc/73/37/16/439733716.db2.gz NOZFKDJSFRTVJT-NSHDSACASA-N 1 1 336.348 0.752 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000614895720 439789771 /nfs/dbraw/zinc/78/97/71/439789771.db2.gz YTHDIELIXYEDPQ-UHFFFAOYSA-N 1 1 325.369 0.165 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000614895720 439789772 /nfs/dbraw/zinc/78/97/72/439789772.db2.gz YTHDIELIXYEDPQ-UHFFFAOYSA-N 1 1 325.369 0.165 20 5 ECBDMO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000342960961 321113739 /nfs/dbraw/zinc/11/37/39/321113739.db2.gz OROBFRBUNQXNEF-NSHDSACASA-N 1 1 336.392 0.975 20 5 ECBDMO COc1cc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])cc1O ZINC000344547033 321155177 /nfs/dbraw/zinc/15/51/77/321155177.db2.gz ZGBYMGWIDYLUCY-JTQLQIEISA-N 1 1 330.362 0.976 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[N@@H+](C)CC ZINC000346140450 321215483 /nfs/dbraw/zinc/21/54/83/321215483.db2.gz XWZYZDMXZWHJAO-LLVKDONJSA-N 1 1 326.401 0.895 20 5 ECBDMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@@H](C)O1 ZINC000354261451 321459831 /nfs/dbraw/zinc/45/98/31/321459831.db2.gz OFVUTDQBNWDHKE-CKYFFXLPSA-N 1 1 345.783 0.880 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000545276767 322108481 /nfs/dbraw/zinc/10/84/81/322108481.db2.gz GCTRAISAXXYRNX-CQSZACIVSA-N 1 1 340.380 0.424 20 5 ECBDMO Cc1c(Br)c(=O)n(Cc2noc(C[NH3+])n2)cc1[N+](=O)[O-] ZINC000563710538 322340443 /nfs/dbraw/zinc/34/04/43/322340443.db2.gz XSIMQFMAQVVMCD-UHFFFAOYSA-N 1 1 344.125 0.717 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564712035 322388610 /nfs/dbraw/zinc/38/86/10/322388610.db2.gz WREBIAFJZQLMDQ-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000780372457 578692550 /nfs/dbraw/zinc/69/25/50/578692550.db2.gz FYUVBWRDMVMTFZ-LLVKDONJSA-N 1 1 326.353 0.842 20 5 ECBDMO C[C@H]1CCC[N@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000773198732 579222541 /nfs/dbraw/zinc/22/25/41/579222541.db2.gz OUTCCBKPGSMQAO-LBPRGKRZSA-N 1 1 334.376 0.925 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000762554856 579544084 /nfs/dbraw/zinc/54/40/84/579544084.db2.gz LUWVJJSWPYCCLQ-LBPRGKRZSA-N 1 1 333.341 0.079 20 5 ECBDMO CNc1c(C(=O)N2CCN(C)CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888986761 586252340 /nfs/dbraw/zinc/25/23/40/586252340.db2.gz SYOLYDOMCGAORO-UHFFFAOYSA-N 1 1 335.408 0.956 20 5 ECBDMO CNc1c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888986761 586252341 /nfs/dbraw/zinc/25/23/41/586252341.db2.gz SYOLYDOMCGAORO-UHFFFAOYSA-N 1 1 335.408 0.956 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@H+](C)[C@@H](CO)C2)c2ccccc21 ZINC000894891164 586417616 /nfs/dbraw/zinc/41/76/16/586417616.db2.gz ZNDXGJOOHFKUBN-LLVKDONJSA-N 1 1 332.360 0.559 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](CO)C2)c2ccccc21 ZINC000894891164 586417619 /nfs/dbraw/zinc/41/76/19/586417619.db2.gz ZNDXGJOOHFKUBN-LLVKDONJSA-N 1 1 332.360 0.559 20 5 ECBDMO COC(=O)[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000839630839 586884578 /nfs/dbraw/zinc/88/45/78/586884578.db2.gz POOFWDJFLYKQKO-ZFWWWQNUSA-N 1 1 337.376 0.665 20 5 ECBDMO C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000839666048 586886615 /nfs/dbraw/zinc/88/66/15/586886615.db2.gz PHEFQBLUCJTWCJ-ZIAGYGMSSA-N 1 1 334.376 0.259 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3c(C)ncc3[N+](=O)[O-])[C@H]2C1 ZINC000820592820 587543273 /nfs/dbraw/zinc/54/32/73/587543273.db2.gz UOTNPIAYOLNXNQ-QWHCGFSZSA-N 1 1 337.380 0.421 20 5 ECBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000823619837 587734350 /nfs/dbraw/zinc/73/43/50/587734350.db2.gz BWDZKCIFIAUBTF-JTQLQIEISA-N 1 1 330.352 0.844 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000827905628 588146333 /nfs/dbraw/zinc/14/63/33/588146333.db2.gz MGKDYACMORMSCU-ZDUSSCGKSA-N 1 1 335.360 0.831 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000827905628 588146335 /nfs/dbraw/zinc/14/63/35/588146335.db2.gz MGKDYACMORMSCU-ZDUSSCGKSA-N 1 1 335.360 0.831 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000830022623 588355036 /nfs/dbraw/zinc/35/50/36/588355036.db2.gz LRRNCACSVWNCGZ-RYUDHWBXSA-N 1 1 339.421 0.796 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000845136253 589133868 /nfs/dbraw/zinc/13/38/68/589133868.db2.gz UZWXYTAIZIFLQC-UHFFFAOYSA-N 1 1 338.339 0.342 20 5 ECBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347679 589841438 /nfs/dbraw/zinc/84/14/38/589841438.db2.gz QQAPPWNCCAXLSE-JSGCOSHPSA-N 1 1 326.353 0.834 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000128844863 590439943 /nfs/dbraw/zinc/43/99/43/590439943.db2.gz NVMQHQPYRROVNZ-GUTXKFCHSA-N 1 1 341.412 0.193 20 5 ECBDMO COCCN1[C@H](C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000128844863 590439944 /nfs/dbraw/zinc/43/99/44/590439944.db2.gz NVMQHQPYRROVNZ-GUTXKFCHSA-N 1 1 341.412 0.193 20 5 ECBDMO COCCN1[C@H](C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000128844863 590439945 /nfs/dbraw/zinc/43/99/45/590439945.db2.gz NVMQHQPYRROVNZ-GUTXKFCHSA-N 1 1 341.412 0.193 20 5 ECBDMO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CC[N+](=O)[O-])CC2)C1 ZINC000930497762 611436315 /nfs/dbraw/zinc/43/63/15/611436315.db2.gz QTVUIJMTUNZKKA-CYBMUJFWSA-N 1 1 328.413 0.890 20 5 ECBDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2CC1 ZINC000946747383 611449272 /nfs/dbraw/zinc/44/92/72/611449272.db2.gz PNBKPAVEKVGORQ-OKILXGFUSA-N 1 1 346.387 0.751 20 5 ECBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233378 611526298 /nfs/dbraw/zinc/52/62/98/611526298.db2.gz BAYRGMORTQXRIS-XFBSOKCSSA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233378 611526300 /nfs/dbraw/zinc/52/63/00/611526300.db2.gz BAYRGMORTQXRIS-XFBSOKCSSA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233378 611526301 /nfs/dbraw/zinc/52/63/01/611526301.db2.gz BAYRGMORTQXRIS-XFBSOKCSSA-N 1 1 325.409 0.638 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2C)c1F ZINC000924976948 608679731 /nfs/dbraw/zinc/67/97/31/608679731.db2.gz AIHDBNDBXBJWRH-IUCAKERBSA-N 1 1 329.303 0.976 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934023669 608788850 /nfs/dbraw/zinc/78/88/50/608788850.db2.gz UGVGPIRCUZIGHX-OAHLLOKOSA-N 1 1 334.376 0.310 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934023669 608788853 /nfs/dbraw/zinc/78/88/53/608788853.db2.gz UGVGPIRCUZIGHX-OAHLLOKOSA-N 1 1 334.376 0.310 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928092205 611673266 /nfs/dbraw/zinc/67/32/66/611673266.db2.gz GZFCXPCXQANSBB-GHMZBOCLSA-N 1 1 325.394 0.487 20 5 ECBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC000912598908 609974409 /nfs/dbraw/zinc/97/44/09/609974409.db2.gz JLJAWTZLEQQADF-UHFFFAOYSA-N 1 1 329.328 0.739 20 5 ECBDMO CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954956606 612818421 /nfs/dbraw/zinc/81/84/21/612818421.db2.gz RVBCTFRYWAYMNE-CHWSQXEVSA-N 1 1 338.408 0.195 20 5 ECBDMO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288574 612884751 /nfs/dbraw/zinc/88/47/51/612884751.db2.gz OPUGBCFTDRNYOP-HZPDHXFCSA-N 1 1 339.392 0.253 20 5 ECBDMO CCOC(=O)COc1ncc(-n2cnc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167359926 734007909 /nfs/dbraw/zinc/00/79/09/734007909.db2.gz WWELMRARJZULDK-UHFFFAOYSA-N 1 1 348.319 0.056 20 5 ECBDMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)nn1 ZINC001025766595 739932741 /nfs/dbraw/zinc/93/27/41/739932741.db2.gz IQTMPTYSBOFBSF-JYAVWHMHSA-N 1 1 342.359 0.584 20 5 ECBDMO COc1ccc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001025775291 739943759 /nfs/dbraw/zinc/94/37/59/739943759.db2.gz LZVGFSXQPZWJGF-UUAJXVIYSA-N 1 1 345.399 0.949 20 5 ECBDMO COc1ccc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775291 739943761 /nfs/dbraw/zinc/94/37/61/739943761.db2.gz LZVGFSXQPZWJGF-UUAJXVIYSA-N 1 1 345.399 0.949 20 5 ECBDMO COc1ccc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001025775291 739943765 /nfs/dbraw/zinc/94/37/65/739943765.db2.gz LZVGFSXQPZWJGF-UUAJXVIYSA-N 1 1 345.399 0.949 20 5 ECBDMO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000997776908 743805060 /nfs/dbraw/zinc/80/50/60/743805060.db2.gz PHTAICOJBIJTSB-HUUCEWRRSA-N 1 1 333.392 0.778 20 5 ECBDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000982503996 752602569 /nfs/dbraw/zinc/60/25/69/752602569.db2.gz SONSIHJMEMYQTN-CALCHBBNSA-N 1 1 346.387 0.751 20 5 ECBDMO Cc1ccc(C)c(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126943548 756921625 /nfs/dbraw/zinc/92/16/25/756921625.db2.gz QOOQDQMXQFUQHS-TZMCWYRMSA-N 1 1 334.376 0.613 20 5 ECBDMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048913749 757386185 /nfs/dbraw/zinc/38/61/85/757386185.db2.gz LGYMXNAFJFYHIW-BETUJISGSA-N 1 1 342.359 0.917 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064091 758228012 /nfs/dbraw/zinc/22/80/12/758228012.db2.gz VSXFPMBWFNLSPU-QVHKTLOISA-N 1 1 337.351 0.720 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)C(C)(F)F)C[C@H]2C1 ZINC001048643016 760843840 /nfs/dbraw/zinc/84/38/40/760843840.db2.gz AOGZDFSLRGXAFV-AOOOYVTPSA-N 1 1 343.334 0.874 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)C(C)(F)F)C[C@H]2C1 ZINC001048643016 760843853 /nfs/dbraw/zinc/84/38/53/760843853.db2.gz AOGZDFSLRGXAFV-AOOOYVTPSA-N 1 1 343.334 0.874 20 5 ECBDMO Cn1cc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)[nH]c1=O ZINC001031950075 763746709 /nfs/dbraw/zinc/74/67/09/763746709.db2.gz SEXDWNAQYRCWIQ-UHFFFAOYSA-N 1 1 345.359 0.896 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cn(C2CCC2)nn1 ZINC001127498153 771358360 /nfs/dbraw/zinc/35/83/60/771358360.db2.gz CCVHRNZGGKROFZ-UHFFFAOYSA-N 1 1 348.367 0.164 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCc1ccns1)C2 ZINC001072725119 788651875 /nfs/dbraw/zinc/65/18/75/788651875.db2.gz HXIYYVNKSBTNDE-CHWSQXEVSA-N 1 1 336.417 0.885 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCc1ccns1)C2 ZINC001072725119 788651876 /nfs/dbraw/zinc/65/18/76/788651876.db2.gz HXIYYVNKSBTNDE-CHWSQXEVSA-N 1 1 336.417 0.885 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](CCc1ccns1)C2 ZINC001072725119 788651878 /nfs/dbraw/zinc/65/18/78/788651878.db2.gz HXIYYVNKSBTNDE-CHWSQXEVSA-N 1 1 336.417 0.885 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067391965 793080912 /nfs/dbraw/zinc/08/09/12/793080912.db2.gz SBAMVPLUFGAVEU-CHWSQXEVSA-N 1 1 328.413 0.299 20 5 ECBDMO CC(C)[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067391965 793080919 /nfs/dbraw/zinc/08/09/19/793080919.db2.gz SBAMVPLUFGAVEU-CHWSQXEVSA-N 1 1 328.413 0.299 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067391965 793080932 /nfs/dbraw/zinc/08/09/32/793080932.db2.gz SBAMVPLUFGAVEU-CHWSQXEVSA-N 1 1 328.413 0.299 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000186935968 236070703 /nfs/dbraw/zinc/07/07/03/236070703.db2.gz KAOFJZVQGRBXCC-VXGBXAGGSA-N 1 1 339.396 0.403 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000246790196 243315560 /nfs/dbraw/zinc/31/55/60/243315560.db2.gz QNVYLHLUCLIQSC-NEPJUHHUSA-N 1 1 325.369 0.095 20 5 ECBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264896604 247021763 /nfs/dbraw/zinc/02/17/63/247021763.db2.gz WJICSURVJCQLLM-AWEZNQCLSA-N 1 1 335.408 0.982 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266095167 248093211 /nfs/dbraw/zinc/09/32/11/248093211.db2.gz JJILBXLVOCITKG-UHFFFAOYSA-N 1 1 348.403 0.806 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266179887 248152073 /nfs/dbraw/zinc/15/20/73/248152073.db2.gz YKQNQWUBVZWDGE-CQSZACIVSA-N 1 1 334.376 0.593 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000266449237 248307072 /nfs/dbraw/zinc/30/70/72/248307072.db2.gz ODDNGZMVEHWCFE-MRXNPFEDSA-N 1 1 346.391 0.365 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000268719976 252170882 /nfs/dbraw/zinc/17/08/82/252170882.db2.gz YWBHEFKJMHCKLM-UHFFFAOYSA-N 1 1 349.391 0.413 20 5 ECBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073426 208197797 /nfs/dbraw/zinc/19/77/97/208197797.db2.gz QEUAKQCIIDBPIG-JSGCOSHPSA-N 1 1 326.353 0.427 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186958581 533673298 /nfs/dbraw/zinc/67/32/98/533673298.db2.gz KFUXHHOKOCTISI-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000186958581 533673291 /nfs/dbraw/zinc/67/32/91/533673291.db2.gz KFUXHHOKOCTISI-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO Cc1cc(=O)n(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123387011 222268791 /nfs/dbraw/zinc/26/87/91/222268791.db2.gz XMJGUWQVUPFMGP-JHJVBQTASA-N 1 1 325.365 0.535 20 5 ECBDMO CNC(=O)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000182425405 263156864 /nfs/dbraw/zinc/15/68/64/263156864.db2.gz XVXLWBWRGGHFCM-ZDUSSCGKSA-N 1 1 343.405 0.729 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000269692041 263197389 /nfs/dbraw/zinc/19/73/89/263197389.db2.gz ILKISNMCIPXVRX-BPLDGKMQSA-N 1 1 334.380 0.932 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1n1ccnc1 ZINC000269692048 263197498 /nfs/dbraw/zinc/19/74/98/263197498.db2.gz ILKISNMCIPXVRX-VHDGCEQUSA-N 1 1 334.380 0.932 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000285653584 264329192 /nfs/dbraw/zinc/32/91/92/264329192.db2.gz YOCVGZTZWPLOTQ-AWEZNQCLSA-N 1 1 334.332 0.752 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000285653584 264329194 /nfs/dbraw/zinc/32/91/94/264329194.db2.gz YOCVGZTZWPLOTQ-AWEZNQCLSA-N 1 1 334.332 0.752 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295000522 265038187 /nfs/dbraw/zinc/03/81/87/265038187.db2.gz OBGDUPQWOVYDJB-UHFFFAOYSA-N 1 1 337.376 0.988 20 5 ECBDMO COC(=O)Cc1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000296923894 265125660 /nfs/dbraw/zinc/12/56/60/265125660.db2.gz AVZKAJZCRSEQMA-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000298806828 265283659 /nfs/dbraw/zinc/28/36/59/265283659.db2.gz QFDDDGWPCAUVOK-LBPRGKRZSA-N 1 1 333.344 0.979 20 5 ECBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000298806828 265283664 /nfs/dbraw/zinc/28/36/64/265283664.db2.gz QFDDDGWPCAUVOK-LBPRGKRZSA-N 1 1 333.344 0.979 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000186852973 533689094 /nfs/dbraw/zinc/68/90/94/533689094.db2.gz QQUSYSRWLIYMMX-GFCCVEGCSA-N 1 1 336.392 0.799 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]21 ZINC000375036154 277147210 /nfs/dbraw/zinc/14/72/10/277147210.db2.gz FTZDWPYQQIZRSJ-ZWNOBZJWSA-N 1 1 340.405 0.773 20 5 ECBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c(N)c([N+](=O)[O-])c1 ZINC000264464723 280348577 /nfs/dbraw/zinc/34/85/77/280348577.db2.gz JUKAXVDKIMCTGK-LBPRGKRZSA-N 1 1 349.391 0.555 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000330791645 437615999 /nfs/dbraw/zinc/61/59/99/437615999.db2.gz BJWYYTOKADECGU-MNOVXSKESA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000330791645 437616006 /nfs/dbraw/zinc/61/60/06/437616006.db2.gz BJWYYTOKADECGU-MNOVXSKESA-N 1 1 325.369 0.246 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361522218 300104386 /nfs/dbraw/zinc/10/43/86/300104386.db2.gz AGAVLEGTFMXSEL-ZFWWWQNUSA-N 1 1 340.380 0.422 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000361773997 300123880 /nfs/dbraw/zinc/12/38/80/300123880.db2.gz JWHQLKFEEGGNMQ-PMPSAXMXSA-N 1 1 332.404 0.757 20 5 ECBDMO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000363300740 300259118 /nfs/dbraw/zinc/25/91/18/300259118.db2.gz YGQHATLZWDWHFL-QHSBEEBCSA-N 1 1 325.409 0.999 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000371567594 300922139 /nfs/dbraw/zinc/92/21/39/300922139.db2.gz BYOZIUZCAXVUBX-TZMCWYRMSA-N 1 1 334.376 0.848 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000073796210 436094305 /nfs/dbraw/zinc/09/43/05/436094305.db2.gz UXJZLYNSLGEATH-GXTWGEPZSA-N 1 1 349.391 0.723 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000073796210 436094308 /nfs/dbraw/zinc/09/43/08/436094308.db2.gz UXJZLYNSLGEATH-GXTWGEPZSA-N 1 1 349.391 0.723 20 5 ECBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(=O)(=O)CC ZINC000075742627 436173743 /nfs/dbraw/zinc/17/37/43/436173743.db2.gz XGSZLCVGIJHRJD-WCQYABFASA-N 1 1 348.425 0.297 20 5 ECBDMO Cc1noc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000075645985 436169701 /nfs/dbraw/zinc/16/97/01/436169701.db2.gz HCMKVJWISWZVMN-YPMHNXCESA-N 1 1 336.352 0.723 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375870329 301217251 /nfs/dbraw/zinc/21/72/51/301217251.db2.gz JZCUDUZPVWDYAX-AWEZNQCLSA-N 1 1 348.359 0.942 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000375870329 301217253 /nfs/dbraw/zinc/21/72/53/301217253.db2.gz JZCUDUZPVWDYAX-AWEZNQCLSA-N 1 1 348.359 0.942 20 5 ECBDMO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(=O)(=O)CC ZINC000075742627 436173739 /nfs/dbraw/zinc/17/37/39/436173739.db2.gz XGSZLCVGIJHRJD-WCQYABFASA-N 1 1 348.425 0.297 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000049278078 436467493 /nfs/dbraw/zinc/46/74/93/436467493.db2.gz ZLZPTFPSTKTECG-UHFFFAOYSA-N 1 1 349.391 0.287 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052671772 436512328 /nfs/dbraw/zinc/51/23/28/436512328.db2.gz NEWAEWSGCGGXFS-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000052671772 436512333 /nfs/dbraw/zinc/51/23/33/436512333.db2.gz NEWAEWSGCGGXFS-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000058060343 436619531 /nfs/dbraw/zinc/61/95/31/436619531.db2.gz WIANOLUBDIOQCL-UHFFFAOYSA-N 1 1 344.375 0.573 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000061524126 436637236 /nfs/dbraw/zinc/63/72/36/436637236.db2.gz VLAYGDNJGUUKPQ-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000063803176 436646699 /nfs/dbraw/zinc/64/66/99/436646699.db2.gz YGQIWVYHVPYQGD-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000194702619 436669005 /nfs/dbraw/zinc/66/90/05/436669005.db2.gz BBZYWAKMNNONSG-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO O=C(NCCCN1CC[NH2+]CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238032579 436752887 /nfs/dbraw/zinc/75/28/87/436752887.db2.gz OZELHQAYVJNGHA-UHFFFAOYSA-N 1 1 332.364 0.496 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272491545 436717690 /nfs/dbraw/zinc/71/76/90/436717690.db2.gz TYSMSOFEDYEQGB-IUODEOHRSA-N 1 1 346.387 0.877 20 5 ECBDMO CCC1(CC)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000248900767 436812748 /nfs/dbraw/zinc/81/27/48/436812748.db2.gz ADTAVTAYIVFJKT-ZLOXQWCVSA-N 1 1 344.437 0.775 20 5 ECBDMO CCC1(CC)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000248900767 436812752 /nfs/dbraw/zinc/81/27/52/436812752.db2.gz ADTAVTAYIVFJKT-ZLOXQWCVSA-N 1 1 344.437 0.775 20 5 ECBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248998189 436813776 /nfs/dbraw/zinc/81/37/76/436813776.db2.gz NAOWBGZNFVCCSX-OCCSQVGLSA-N 1 1 325.369 0.143 20 5 ECBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248998189 436813778 /nfs/dbraw/zinc/81/37/78/436813778.db2.gz NAOWBGZNFVCCSX-OCCSQVGLSA-N 1 1 325.369 0.143 20 5 ECBDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274331998 436817057 /nfs/dbraw/zinc/81/70/57/436817057.db2.gz RGDWBTYVPUEQHX-CFVMTHIKSA-N 1 1 340.376 0.806 20 5 ECBDMO C[C@H](O)C[C@@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274331998 436817060 /nfs/dbraw/zinc/81/70/60/436817060.db2.gz RGDWBTYVPUEQHX-CFVMTHIKSA-N 1 1 340.376 0.806 20 5 ECBDMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273906452 436787607 /nfs/dbraw/zinc/78/76/07/436787607.db2.gz ABZPMTNATQOYGF-MFKMUULPSA-N 1 1 333.348 0.979 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000126615655 436789033 /nfs/dbraw/zinc/78/90/33/436789033.db2.gz IBCSGBIFZKXUHP-ZYHUDNBSSA-N 1 1 325.369 0.325 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000126615655 436789035 /nfs/dbraw/zinc/78/90/35/436789035.db2.gz IBCSGBIFZKXUHP-ZYHUDNBSSA-N 1 1 325.369 0.325 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000131285340 436850005 /nfs/dbraw/zinc/85/00/05/436850005.db2.gz IRCNBZJDKPUYAY-LLVKDONJSA-N 1 1 340.355 0.845 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000274613552 436851829 /nfs/dbraw/zinc/85/18/29/436851829.db2.gz DBNCGHITLWAHHC-UHFFFAOYSA-N 1 1 340.380 0.717 20 5 ECBDMO O=C(NC1CC1)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000131566019 436856009 /nfs/dbraw/zinc/85/60/09/436856009.db2.gz ACXKFYQXCFBDKH-UHFFFAOYSA-N 1 1 348.403 0.991 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)Cc1ccccc1 ZINC000293357065 436870284 /nfs/dbraw/zinc/87/02/84/436870284.db2.gz OCQKLDMOOFSRTE-JKSUJKDBSA-N 1 1 334.376 0.688 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000251690621 436828796 /nfs/dbraw/zinc/82/87/96/436828796.db2.gz HXOZKCSWDPIXOY-NEPJUHHUSA-N 1 1 325.369 0.095 20 5 ECBDMO CN(C)c1nc(N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000163012232 436917652 /nfs/dbraw/zinc/91/76/52/436917652.db2.gz WWQMZBXUHWBGEB-UHFFFAOYSA-N 1 1 346.351 0.136 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000162606130 436910927 /nfs/dbraw/zinc/91/09/27/436910927.db2.gz SNURYBWVCPSVGF-OCCSQVGLSA-N 1 1 335.368 0.156 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275181567 436937135 /nfs/dbraw/zinc/93/71/35/436937135.db2.gz CTKULSFAYDQCJL-LLVKDONJSA-N 1 1 334.376 0.922 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170690166 436949159 /nfs/dbraw/zinc/94/91/59/436949159.db2.gz KIKBAEMPQWTOLO-GFCCVEGCSA-N 1 1 328.394 0.600 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170909999 436960086 /nfs/dbraw/zinc/96/00/86/436960086.db2.gz FPZPLFGZFMBCRV-ZFWWWQNUSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170909999 436960088 /nfs/dbraw/zinc/96/00/88/436960088.db2.gz FPZPLFGZFMBCRV-ZFWWWQNUSA-N 1 1 337.376 0.935 20 5 ECBDMO NS(=O)(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000170912892 436960803 /nfs/dbraw/zinc/96/08/03/436960803.db2.gz QUULWPKNUGNRDR-UHFFFAOYSA-N 1 1 328.394 0.395 20 5 ECBDMO NC(=O)CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000171633691 436983634 /nfs/dbraw/zinc/98/36/34/436983634.db2.gz BLUWGQZWGYQCOK-UHFFFAOYSA-N 1 1 335.364 0.026 20 5 ECBDMO Cn1ccc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000263852107 436994676 /nfs/dbraw/zinc/99/46/76/436994676.db2.gz OWDNMXLYADFYFA-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000172199615 437003543 /nfs/dbraw/zinc/00/35/43/437003543.db2.gz CUNVAENUPXSMQC-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO C[C@H](CO)[N@@H+](C[C@H](C)O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000276149001 437063791 /nfs/dbraw/zinc/06/37/91/437063791.db2.gz DNLCHJADQBPDPL-AGIUHOORSA-N 1 1 328.365 0.398 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274102 437082141 /nfs/dbraw/zinc/08/21/41/437082141.db2.gz ZRWPUJLVXGCNDN-MNOVXSKESA-N 1 1 341.364 0.606 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274102 437082144 /nfs/dbraw/zinc/08/21/44/437082144.db2.gz ZRWPUJLVXGCNDN-MNOVXSKESA-N 1 1 341.364 0.606 20 5 ECBDMO CC[N@@H+](C)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302779392 437150994 /nfs/dbraw/zinc/15/09/94/437150994.db2.gz QTDAZZDTLONNQL-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1nn(C)c(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000301336011 437119620 /nfs/dbraw/zinc/11/96/20/437119620.db2.gz CYCLIYZSZUBWKA-UHFFFAOYSA-N 1 1 346.395 0.819 20 5 ECBDMO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000287311275 437177882 /nfs/dbraw/zinc/17/78/82/437177882.db2.gz WIJDJMXOFJGXTM-VIFPVBQESA-N 1 1 329.378 0.678 20 5 ECBDMO Cn1cc[nH+]c1CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000331834898 437165907 /nfs/dbraw/zinc/16/59/07/437165907.db2.gz KXAXRCPUHFMDHQ-UHFFFAOYSA-N 1 1 333.352 0.401 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277435846 437219160 /nfs/dbraw/zinc/21/91/60/437219160.db2.gz GQVVHJHJHWLQRA-ZDUSSCGKSA-N 1 1 339.396 0.799 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000266981037 437273637 /nfs/dbraw/zinc/27/36/37/437273637.db2.gz ADWKOFMUANSPPM-UHFFFAOYSA-N 1 1 337.380 0.817 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000266981037 437273641 /nfs/dbraw/zinc/27/36/41/437273641.db2.gz ADWKOFMUANSPPM-UHFFFAOYSA-N 1 1 337.380 0.817 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278117985 437283981 /nfs/dbraw/zinc/28/39/81/437283981.db2.gz LFLDVYQIQKBGGO-UHFFFAOYSA-N 1 1 332.320 0.391 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3S(C)(=O)=O)C[C@H]2C1 ZINC000278774941 437342256 /nfs/dbraw/zinc/34/22/56/437342256.db2.gz OSRUJPONBFVUNS-PHIMTYICSA-N 1 1 325.390 0.996 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]2C1 ZINC000278740558 437338288 /nfs/dbraw/zinc/33/82/88/437338288.db2.gz LRKSFDUIVIFQPY-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279129813 437377958 /nfs/dbraw/zinc/37/79/58/437377958.db2.gz VWKKOFMTDLVTHK-HNNXBMFYSA-N 1 1 334.332 0.648 20 5 ECBDMO COCCOCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289071736 437379008 /nfs/dbraw/zinc/37/90/08/437379008.db2.gz SDFMGHIUZALJKA-ZDUSSCGKSA-N 1 1 328.365 0.929 20 5 ECBDMO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187290538 437497216 /nfs/dbraw/zinc/49/72/16/437497216.db2.gz HCHNXDRWOFBGQL-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187290538 437497223 /nfs/dbraw/zinc/49/72/23/437497223.db2.gz HCHNXDRWOFBGQL-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187724981 437512841 /nfs/dbraw/zinc/51/28/41/437512841.db2.gz YODXPWAKSLADKN-KGLIPLIRSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187724981 437512852 /nfs/dbraw/zinc/51/28/52/437512852.db2.gz YODXPWAKSLADKN-KGLIPLIRSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187724981 437512856 /nfs/dbraw/zinc/51/28/56/437512856.db2.gz YODXPWAKSLADKN-KGLIPLIRSA-N 1 1 339.392 0.333 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000360753845 437646354 /nfs/dbraw/zinc/64/63/54/437646354.db2.gz LVXGLODVVJCGGC-SNVBAGLBSA-N 1 1 336.348 0.610 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166940 437704017 /nfs/dbraw/zinc/70/40/17/437704017.db2.gz YKMDSTRWWVTKKA-LLVKDONJSA-N 1 1 342.346 0.778 20 5 ECBDMO O=C(CN1CC[NH+]([C@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000370751726 437828436 /nfs/dbraw/zinc/82/84/36/437828436.db2.gz ZIEGLYIERNAEFF-ZDUSSCGKSA-N 1 1 334.376 0.940 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365802239 437975619 /nfs/dbraw/zinc/97/56/19/437975619.db2.gz BCULMCUWKKCKFE-ZDUSSCGKSA-N 1 1 333.348 0.633 20 5 ECBDMO C[C@H](O)COC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653649 438109735 /nfs/dbraw/zinc/10/97/35/438109735.db2.gz MTBVYNMGEFIWKE-NWDGAFQWSA-N 1 1 326.353 0.742 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635460 438105542 /nfs/dbraw/zinc/10/55/42/438105542.db2.gz HESXHFZMFSXURV-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635460 438105547 /nfs/dbraw/zinc/10/55/47/438105547.db2.gz HESXHFZMFSXURV-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374829933 438232256 /nfs/dbraw/zinc/23/22/56/438232256.db2.gz PVELPOWZSUUFBO-UWVGGRQHSA-N 1 1 338.339 0.909 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000368073464 438283720 /nfs/dbraw/zinc/28/37/20/438283720.db2.gz ZYAWYDNVDXHFGH-UPJWGTAASA-N 1 1 335.360 0.402 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000352022997 438371272 /nfs/dbraw/zinc/37/12/72/438371272.db2.gz STFKPOYODNKEKV-VXGBXAGGSA-N 1 1 337.332 0.320 20 5 ECBDMO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000420953463 438451066 /nfs/dbraw/zinc/45/10/66/438451066.db2.gz ZQGRFIQFOXMZDO-DZGCQCFKSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000420953463 438451071 /nfs/dbraw/zinc/45/10/71/438451071.db2.gz ZQGRFIQFOXMZDO-DZGCQCFKSA-N 1 1 340.376 0.806 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825416 438521406 /nfs/dbraw/zinc/52/14/06/438521406.db2.gz IRWYYHBDAWDKBJ-GXTWGEPZSA-N 1 1 337.380 0.143 20 5 ECBDMO Nc1c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc(F)cc1[N+](=O)[O-] ZINC000452388718 438660217 /nfs/dbraw/zinc/66/02/17/438660217.db2.gz KFCVSBQOJFVFLD-NSHDSACASA-N 1 1 340.355 0.893 20 5 ECBDMO CC(C)(C(=O)NC[C@H]1CCCC[N@H+]1CCO)n1cc([N+](=O)[O-])cn1 ZINC000452797301 438675470 /nfs/dbraw/zinc/67/54/70/438675470.db2.gz MNOPYFNCVIYSRD-GFCCVEGCSA-N 1 1 339.396 0.489 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000457106366 438794708 /nfs/dbraw/zinc/79/47/08/438794708.db2.gz VRHRLWSMHZDNCL-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000457106366 438794711 /nfs/dbraw/zinc/79/47/11/438794711.db2.gz VRHRLWSMHZDNCL-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595659620 438840941 /nfs/dbraw/zinc/84/09/41/438840941.db2.gz BBOUGXSQYXLACL-SWLSCSKDSA-N 1 1 349.343 0.404 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861922 438847210 /nfs/dbraw/zinc/84/72/10/438847210.db2.gz YNWXNFAVEHXEEL-MNOVXSKESA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861922 438847213 /nfs/dbraw/zinc/84/72/13/438847213.db2.gz YNWXNFAVEHXEEL-MNOVXSKESA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861922 438847218 /nfs/dbraw/zinc/84/72/18/438847218.db2.gz YNWXNFAVEHXEEL-MNOVXSKESA-N 1 1 337.380 0.552 20 5 ECBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000601445482 438897939 /nfs/dbraw/zinc/89/79/39/438897939.db2.gz CVCQZMQYGSHLFL-LBPRGKRZSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C1CCCN1C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833128 438867671 /nfs/dbraw/zinc/86/76/71/438867671.db2.gz RZQGDUWHLVFGTI-JSGCOSHPSA-N 1 1 337.380 0.097 20 5 ECBDMO CC[N@H+]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596120585 438928096 /nfs/dbraw/zinc/92/80/96/438928096.db2.gz VPWHCXPZEVHMKK-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)C2)CC1 ZINC000596122130 438928579 /nfs/dbraw/zinc/92/85/79/438928579.db2.gz JMOSCLCVRQZVNL-CQSZACIVSA-N 1 1 347.419 0.910 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590582787 438934624 /nfs/dbraw/zinc/93/46/24/438934624.db2.gz UQYKOEONBZNNIH-GXFFZTMASA-N 1 1 340.405 0.773 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000590565676 438934764 /nfs/dbraw/zinc/93/47/64/438934764.db2.gz PJNJJYAVWKFSKP-NEPJUHHUSA-N 1 1 337.380 0.572 20 5 ECBDMO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000596167003 438935385 /nfs/dbraw/zinc/93/53/85/438935385.db2.gz ASMSQTMJGAVDJN-BXKDBHETSA-N 1 1 344.393 0.373 20 5 ECBDMO C[C@@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000596167003 438935387 /nfs/dbraw/zinc/93/53/87/438935387.db2.gz ASMSQTMJGAVDJN-BXKDBHETSA-N 1 1 344.393 0.373 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)[C@H]2C1 ZINC000596246800 438946118 /nfs/dbraw/zinc/94/61/18/438946118.db2.gz ZLOCUNJAXZLDOO-LSDHHAIUSA-N 1 1 334.376 0.993 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@@H]21 ZINC000590776515 438958146 /nfs/dbraw/zinc/95/81/46/438958146.db2.gz GQDDDOWTLSRFPV-ABAIWWIYSA-N 1 1 342.359 0.952 20 5 ECBDMO Nc1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ncc1[N+](=O)[O-] ZINC000596422159 438960716 /nfs/dbraw/zinc/96/07/16/438960716.db2.gz BLSVRDKXPLETJK-ZDUSSCGKSA-N 1 1 344.375 0.568 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2COCCOC2)cc1 ZINC000591768800 439081693 /nfs/dbraw/zinc/08/16/93/439081693.db2.gz UONPVKPAOSCVHV-UHFFFAOYSA-N 1 1 330.362 0.374 20 5 ECBDMO COCc1nc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000591767974 439082026 /nfs/dbraw/zinc/08/20/26/439082026.db2.gz DSHIMUYXTOGPPK-NSHDSACASA-N 1 1 327.366 0.545 20 5 ECBDMO CO[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@](C)(CO)C1 ZINC000602965023 439172112 /nfs/dbraw/zinc/17/21/12/439172112.db2.gz XYEBVYHFDRONFH-PBHICJAKSA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@](C)(CO)C1 ZINC000602965023 439172117 /nfs/dbraw/zinc/17/21/17/439172117.db2.gz XYEBVYHFDRONFH-PBHICJAKSA-N 1 1 349.387 0.956 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])[C@H](C)C1 ZINC000602803273 439137227 /nfs/dbraw/zinc/13/72/27/439137227.db2.gz BKGXTJYVPWJMGI-GFCCVEGCSA-N 1 1 339.396 0.669 20 5 ECBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592388161 439216812 /nfs/dbraw/zinc/21/68/12/439216812.db2.gz BGIOVDMUQKBPOR-LBPRGKRZSA-N 1 1 343.361 0.120 20 5 ECBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1cc([N+](=O)[O-])n[nH]1 ZINC000598367245 439256363 /nfs/dbraw/zinc/25/63/63/439256363.db2.gz PNHFWMPVBZSKRB-VXGBXAGGSA-N 1 1 335.364 0.691 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896425 439323074 /nfs/dbraw/zinc/32/30/74/439323074.db2.gz IKKFXMZFLNIFNK-GFCCVEGCSA-N 1 1 335.364 0.927 20 5 ECBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599306596 439425928 /nfs/dbraw/zinc/42/59/28/439425928.db2.gz HKPOIVHVZVNCPP-JTQLQIEISA-N 1 1 331.398 0.481 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)n1 ZINC000599414920 439461970 /nfs/dbraw/zinc/46/19/70/439461970.db2.gz KKIVQKMJXUBAEV-SNVBAGLBSA-N 1 1 331.398 0.339 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594028014 439510253 /nfs/dbraw/zinc/51/02/53/439510253.db2.gz YXDDBIALWPVGOQ-BYCMXARLSA-N 1 1 334.376 0.673 20 5 ECBDMO COc1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000593854673 439478725 /nfs/dbraw/zinc/47/87/25/439478725.db2.gz CBNHFVLPRFALSI-CYBMUJFWSA-N 1 1 335.360 0.803 20 5 ECBDMO COc1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1C ZINC000593854673 439478729 /nfs/dbraw/zinc/47/87/29/439478729.db2.gz CBNHFVLPRFALSI-CYBMUJFWSA-N 1 1 335.360 0.803 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1 ZINC000594293590 439537877 /nfs/dbraw/zinc/53/78/77/439537877.db2.gz YCPCQUMUYNOFLN-LBPRGKRZSA-N 1 1 348.407 0.424 20 5 ECBDMO COC(=O)c1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000594391700 439553607 /nfs/dbraw/zinc/55/36/07/439553607.db2.gz CFYOSOFHTNMXIF-UONOGXRCSA-N 1 1 349.343 0.272 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594094915 439514480 /nfs/dbraw/zinc/51/44/80/439514480.db2.gz QTEDXOOUGWWOFR-NWDGAFQWSA-N 1 1 336.348 0.886 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609393468 439569403 /nfs/dbraw/zinc/56/94/03/439569403.db2.gz WJNFKBWIWDAOOS-AWEZNQCLSA-N 1 1 346.387 0.925 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599938602 439581348 /nfs/dbraw/zinc/58/13/48/439581348.db2.gz QMCDZRXWUOIZFN-QWHCGFSZSA-N 1 1 335.360 0.885 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000610260680 439607186 /nfs/dbraw/zinc/60/71/86/439607186.db2.gz GIKXBVRUXFKGMC-JTQLQIEISA-N 1 1 326.378 0.752 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265102 439608010 /nfs/dbraw/zinc/60/80/10/439608010.db2.gz PFTAFYDIZHYHQJ-GHMZBOCLSA-N 1 1 328.394 0.951 20 5 ECBDMO Cc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000610705513 439640640 /nfs/dbraw/zinc/64/06/40/439640640.db2.gz RAVGSQZVOFSHPY-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106741 439673423 /nfs/dbraw/zinc/67/34/23/439673423.db2.gz FLFHGKHQPIXMOY-ZJUUUORDSA-N 1 1 343.409 0.715 20 5 ECBDMO CC(C)[C@]1(CO)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708212 321000821 /nfs/dbraw/zinc/00/08/21/321000821.db2.gz DHEZXYANNFIAMP-HUUCEWRRSA-N 1 1 326.397 0.883 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343274263 321132277 /nfs/dbraw/zinc/13/22/77/321132277.db2.gz LLLDNGUKWMMAPJ-UHFFFAOYSA-N 1 1 349.391 0.558 20 5 ECBDMO CC(=O)NC1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000344133928 321141795 /nfs/dbraw/zinc/14/17/95/321141795.db2.gz ZCMVDXQORKMADN-PIMMBPRGSA-N 1 1 339.396 0.531 20 5 ECBDMO CCC[N@@H+](CCN1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352876691 321374342 /nfs/dbraw/zinc/37/43/42/321374342.db2.gz OLQOHCBROGEVAO-OAHLLOKOSA-N 1 1 325.413 0.960 20 5 ECBDMO CCCN(CC[NH+]1CCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352876691 321374343 /nfs/dbraw/zinc/37/43/43/321374343.db2.gz OLQOHCBROGEVAO-OAHLLOKOSA-N 1 1 325.413 0.960 20 5 ECBDMO COC(=O)CCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000366744432 321676311 /nfs/dbraw/zinc/67/63/11/321676311.db2.gz ISBSRCLVPOJQAO-UHFFFAOYSA-N 1 1 339.352 0.108 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000189736556 534081041 /nfs/dbraw/zinc/08/10/41/534081041.db2.gz UPLZIDNJMXJFTF-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000184341494 528552018 /nfs/dbraw/zinc/55/20/18/528552018.db2.gz HTNKRANZUPFHKG-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000619252375 546310423 /nfs/dbraw/zinc/31/04/23/546310423.db2.gz JTXQQDDOTZQZRD-GHMZBOCLSA-N 1 1 325.344 0.895 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873709 546376655 /nfs/dbraw/zinc/37/66/55/546376655.db2.gz QUWRVIDGTJYCCG-ZDUSSCGKSA-N 1 1 333.392 0.513 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619879544 546377948 /nfs/dbraw/zinc/37/79/48/546377948.db2.gz BJIWMGLJCNITEM-ZDUSSCGKSA-N 1 1 334.376 0.480 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000757511180 579461823 /nfs/dbraw/zinc/46/18/23/579461823.db2.gz LRMFIHKREAMXIO-UHFFFAOYSA-N 1 1 335.364 0.023 20 5 ECBDMO COc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000759253051 579488517 /nfs/dbraw/zinc/48/85/17/579488517.db2.gz NBTGJLKBXLGTTL-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000759253051 579488519 /nfs/dbraw/zinc/48/85/19/579488519.db2.gz NBTGJLKBXLGTTL-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163900 578138611 /nfs/dbraw/zinc/13/86/11/578138611.db2.gz OQPBYZYLYHBJBR-WDEREUQCSA-N 1 1 349.343 0.917 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000729925961 578300848 /nfs/dbraw/zinc/30/08/48/578300848.db2.gz BBLGTMQCYJWVEQ-LBPRGKRZSA-N 1 1 347.375 0.470 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782146416 578720834 /nfs/dbraw/zinc/72/08/34/578720834.db2.gz AVFUSMYSIKIYTA-UHFFFAOYSA-N 1 1 330.348 0.724 20 5 ECBDMO C[N@@H+](C[C@@H](O)CN1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593087 579285496 /nfs/dbraw/zinc/28/54/96/579285496.db2.gz VZICOTJYWKRIRM-HZPDHXFCSA-N 1 1 339.392 0.253 20 5 ECBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1CO ZINC000894881896 586416979 /nfs/dbraw/zinc/41/69/79/586416979.db2.gz PFYBZTYQUPTUIH-CYBMUJFWSA-N 1 1 334.376 0.600 20 5 ECBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@@H]1CO ZINC000894881896 586416982 /nfs/dbraw/zinc/41/69/82/586416982.db2.gz PFYBZTYQUPTUIH-CYBMUJFWSA-N 1 1 334.376 0.600 20 5 ECBDMO CC(C)N1CC[NH+](CCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000901135704 586697149 /nfs/dbraw/zinc/69/71/49/586697149.db2.gz QKJQHKZHKCRESI-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000805759452 586937882 /nfs/dbraw/zinc/93/78/82/586937882.db2.gz RSCHASXXVABVGY-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843997498 589087356 /nfs/dbraw/zinc/08/73/56/589087356.db2.gz UCFLNVGCEZMYKE-CQSZACIVSA-N 1 1 345.359 0.222 20 5 ECBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000843997498 589087358 /nfs/dbraw/zinc/08/73/58/589087358.db2.gz UCFLNVGCEZMYKE-CQSZACIVSA-N 1 1 345.359 0.222 20 5 ECBDMO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000820456351 587534721 /nfs/dbraw/zinc/53/47/21/587534721.db2.gz SYIWBQBBNBRWMC-TVQRCGJNSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000820456351 587534722 /nfs/dbraw/zinc/53/47/22/587534722.db2.gz SYIWBQBBNBRWMC-TVQRCGJNSA-N 1 1 333.352 0.906 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000825297593 587930078 /nfs/dbraw/zinc/93/00/78/587930078.db2.gz BJCXMUVRVBSVQH-UHFFFAOYSA-N 1 1 338.339 0.580 20 5 ECBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@@H](O)C1 ZINC000827536057 588126095 /nfs/dbraw/zinc/12/60/95/588126095.db2.gz OYRJVEQQCMIHDR-CYBMUJFWSA-N 1 1 325.340 0.849 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000827947660 588148145 /nfs/dbraw/zinc/14/81/45/588148145.db2.gz AFIOGPDLDNPSCL-GFCCVEGCSA-N 1 1 337.376 0.813 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000827947660 588148146 /nfs/dbraw/zinc/14/81/46/588148146.db2.gz AFIOGPDLDNPSCL-GFCCVEGCSA-N 1 1 337.376 0.813 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000829911342 588348064 /nfs/dbraw/zinc/34/80/64/588348064.db2.gz VXGMQTBVNHITQC-TYNCELHUSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000829911342 588348066 /nfs/dbraw/zinc/34/80/66/588348066.db2.gz VXGMQTBVNHITQC-TYNCELHUSA-N 1 1 337.376 0.542 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856253002 589657895 /nfs/dbraw/zinc/65/78/95/589657895.db2.gz CUYMNRZUUQSSBY-CYBMUJFWSA-N 1 1 334.376 0.848 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856544026 589666959 /nfs/dbraw/zinc/66/69/59/589666959.db2.gz JRHHCXNWWMRDOM-DZGCQCFKSA-N 1 1 344.375 0.642 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 ZINC000856544026 589666961 /nfs/dbraw/zinc/66/69/61/589666961.db2.gz JRHHCXNWWMRDOM-DZGCQCFKSA-N 1 1 344.375 0.642 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000120871697 589716379 /nfs/dbraw/zinc/71/63/79/589716379.db2.gz ONMGQVSEHCMUNX-TXEJJXNPSA-N 1 1 339.396 0.667 20 5 ECBDMO O=C1OC[C@H]2C[N@@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000863338863 590005633 /nfs/dbraw/zinc/00/56/33/590005633.db2.gz VMBLGYQMANUGLC-DGCLKSJQSA-N 1 1 329.316 0.916 20 5 ECBDMO O=C1OC[C@H]2C[N@H+](Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]12 ZINC000863338863 590005635 /nfs/dbraw/zinc/00/56/35/590005635.db2.gz VMBLGYQMANUGLC-DGCLKSJQSA-N 1 1 329.316 0.916 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946589263 611356479 /nfs/dbraw/zinc/35/64/79/611356479.db2.gz PATGYSYLOBHFAS-QKPAOTATSA-N 1 1 347.419 0.719 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946589263 611356480 /nfs/dbraw/zinc/35/64/80/611356480.db2.gz PATGYSYLOBHFAS-QKPAOTATSA-N 1 1 347.419 0.719 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCn3cccn3)C[C@H]2CC1 ZINC000946589263 611356481 /nfs/dbraw/zinc/35/64/81/611356481.db2.gz PATGYSYLOBHFAS-QKPAOTATSA-N 1 1 347.419 0.719 20 5 ECBDMO C[C@@H]1[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000925334150 611470826 /nfs/dbraw/zinc/47/08/26/611470826.db2.gz AONHDPALJHRBLU-CHWSQXEVSA-N 1 1 348.407 0.914 20 5 ECBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405018 611537291 /nfs/dbraw/zinc/53/72/91/611537291.db2.gz FDUUFVZVCQCLDG-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405018 611537292 /nfs/dbraw/zinc/53/72/92/611537292.db2.gz FDUUFVZVCQCLDG-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931405018 611537296 /nfs/dbraw/zinc/53/72/96/611537296.db2.gz FDUUFVZVCQCLDG-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCOC(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000893391407 608619214 /nfs/dbraw/zinc/61/92/14/608619214.db2.gz VWEARAKUOAQZTK-GFCCVEGCSA-N 1 1 326.353 0.835 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000924984879 608686882 /nfs/dbraw/zinc/68/68/82/608686882.db2.gz YMHGOWPHNDCURN-VXGBXAGGSA-N 1 1 327.768 0.972 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934262612 608804922 /nfs/dbraw/zinc/80/49/22/608804922.db2.gz LHSQOXKXBVKODK-HUUCEWRRSA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934262612 608804923 /nfs/dbraw/zinc/80/49/23/608804923.db2.gz LHSQOXKXBVKODK-HUUCEWRRSA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934262612 608804925 /nfs/dbraw/zinc/80/49/25/608804925.db2.gz LHSQOXKXBVKODK-HUUCEWRRSA-N 1 1 336.392 0.288 20 5 ECBDMO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919988187 609668995 /nfs/dbraw/zinc/66/89/95/609668995.db2.gz CGMQQYDZGNUZNX-FZMZJTMJSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988187 609668997 /nfs/dbraw/zinc/66/89/97/609668997.db2.gz CGMQQYDZGNUZNX-FZMZJTMJSA-N 1 1 342.421 0.507 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054851 609697342 /nfs/dbraw/zinc/69/73/42/609697342.db2.gz KNJDQDUPPAOCSF-NEPJUHHUSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054851 609697343 /nfs/dbraw/zinc/69/73/43/609697343.db2.gz KNJDQDUPPAOCSF-NEPJUHHUSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053526 609697389 /nfs/dbraw/zinc/69/73/89/609697389.db2.gz AZCKXYUSFUEBCM-NEPJUHHUSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053526 609697390 /nfs/dbraw/zinc/69/73/90/609697390.db2.gz AZCKXYUSFUEBCM-NEPJUHHUSA-N 1 1 325.369 0.612 20 5 ECBDMO COc1ccc(CC(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912606483 609976830 /nfs/dbraw/zinc/97/68/30/609976830.db2.gz GLFDSVAVWSTOTA-UHFFFAOYSA-N 1 1 325.365 0.528 20 5 ECBDMO Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000940107039 610210255 /nfs/dbraw/zinc/21/02/55/610210255.db2.gz DYXVVYOQSUDRBF-CHWSQXEVSA-N 1 1 333.392 0.921 20 5 ECBDMO CC[N@@H+](CCC(=O)NC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000933864713 611755193 /nfs/dbraw/zinc/75/51/93/611755193.db2.gz DXJYNSHOAZWEMX-UHFFFAOYSA-N 1 1 334.376 0.942 20 5 ECBDMO C[N@@H+](CC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC000947132105 611801789 /nfs/dbraw/zinc/80/17/89/611801789.db2.gz QAUKFLFOVVHBEN-ZIAGYGMSSA-N 1 1 338.408 0.243 20 5 ECBDMO C[N@H+](CC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000947132105 611801793 /nfs/dbraw/zinc/80/17/93/611801793.db2.gz QAUKFLFOVVHBEN-ZIAGYGMSSA-N 1 1 338.408 0.243 20 5 ECBDMO C[N@@H+](CC(=O)N1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000947132105 611801797 /nfs/dbraw/zinc/80/17/97/611801797.db2.gz QAUKFLFOVVHBEN-ZIAGYGMSSA-N 1 1 338.408 0.243 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000954240456 612790334 /nfs/dbraw/zinc/79/03/34/612790334.db2.gz CPTBPKANRXVQBH-ZIAGYGMSSA-N 1 1 343.343 0.282 20 5 ECBDMO O=C(N[C@@H]1[C@H]2CN(Cc3coc(C4CC4)n3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778054 739936124 /nfs/dbraw/zinc/93/61/24/739936124.db2.gz QCZXSIBDSMVLPQ-RGDJUOJXSA-N 1 1 332.360 0.764 20 5 ECBDMO Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1=O ZINC000983649782 744994312 /nfs/dbraw/zinc/99/43/12/744994312.db2.gz RXGWLGWDFJWLGG-AAVRWANBSA-N 1 1 334.376 0.035 20 5 ECBDMO CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC001002783464 747780648 /nfs/dbraw/zinc/78/06/48/747780648.db2.gz SUDYXDNSZZNTNN-HUUCEWRRSA-N 1 1 347.419 0.893 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105415206 747969939 /nfs/dbraw/zinc/96/99/39/747969939.db2.gz HFFPIGQSXHOQCL-UHFFFAOYSA-N 1 1 339.396 0.930 20 5 ECBDMO Cn1nccc1CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426576 747982161 /nfs/dbraw/zinc/98/21/61/747982161.db2.gz SLWRUCJFVPAEQB-HUUCEWRRSA-N 1 1 335.408 0.551 20 5 ECBDMO Cn1nccc1CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426576 747982165 /nfs/dbraw/zinc/98/21/65/747982165.db2.gz SLWRUCJFVPAEQB-HUUCEWRRSA-N 1 1 335.408 0.551 20 5 ECBDMO Cn1nccc1CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426576 747982172 /nfs/dbraw/zinc/98/21/72/747982172.db2.gz SLWRUCJFVPAEQB-HUUCEWRRSA-N 1 1 335.408 0.551 20 5 ECBDMO CCOC(=O)C1CO[C@H](C)C1=Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168159791 750254185 /nfs/dbraw/zinc/25/41/85/750254185.db2.gz QAXMCJSHZFQRLW-MRVPVSSYSA-N 1 1 349.347 0.719 20 5 ECBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001212108259 754029861 /nfs/dbraw/zinc/02/98/61/754029861.db2.gz TVRMGSSEXCTENJ-SNVBAGLBSA-N 1 1 331.398 0.433 20 5 ECBDMO CC[N@H+]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001212108259 754029869 /nfs/dbraw/zinc/02/98/69/754029869.db2.gz TVRMGSSEXCTENJ-SNVBAGLBSA-N 1 1 331.398 0.433 20 5 ECBDMO O=C(NCC[NH2+]Cc1cnn(-c2ccccc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126942606 756900071 /nfs/dbraw/zinc/90/00/71/756900071.db2.gz CKDNSSVODPKNHQ-HUUCEWRRSA-N 1 1 329.360 0.743 20 5 ECBDMO CN(Cc1cccs1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126949453 757161355 /nfs/dbraw/zinc/16/13/55/757161355.db2.gz TYRXLMFKVKEYEO-VXGBXAGGSA-N 1 1 340.405 0.078 20 5 ECBDMO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000996428446 757653846 /nfs/dbraw/zinc/65/38/46/757653846.db2.gz DJVZEMLXJYVIMU-ZIAGYGMSSA-N 1 1 334.376 0.131 20 5 ECBDMO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)ncn1 ZINC001050516813 760412411 /nfs/dbraw/zinc/41/24/11/760412411.db2.gz KGNOGTUUXSFWLA-HUUCEWRRSA-N 1 1 345.403 0.875 20 5 ECBDMO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525559 760662177 /nfs/dbraw/zinc/66/21/77/760662177.db2.gz XSZJXJJNXVZJGV-BUONHZGMSA-N 1 1 348.407 0.340 20 5 ECBDMO Cn1nncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525559 760662180 /nfs/dbraw/zinc/66/21/80/760662180.db2.gz XSZJXJJNXVZJGV-BUONHZGMSA-N 1 1 348.407 0.340 20 5 ECBDMO Cn1nncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525559 760662187 /nfs/dbraw/zinc/66/21/87/760662187.db2.gz XSZJXJJNXVZJGV-BUONHZGMSA-N 1 1 348.407 0.340 20 5 ECBDMO CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574867 769159202 /nfs/dbraw/zinc/15/92/02/769159202.db2.gz AWRWLRQLIAYILB-ZIAGYGMSSA-N 1 1 340.424 0.539 20 5 ECBDMO Cc1csc(=O)n1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020140085 772207993 /nfs/dbraw/zinc/20/79/93/772207993.db2.gz XNHAXCAMRSUWQT-DDHJBXDOSA-N 1 1 340.405 0.120 20 5 ECBDMO CCc1cccc(NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001267371851 837271550 /nfs/dbraw/zinc/27/15/50/837271550.db2.gz XUOKCMNJCMUZOF-HUUCEWRRSA-N 1 1 348.403 0.901 20 5 ECBDMO Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CCCC2)cn1 ZINC001268035788 839099208 /nfs/dbraw/zinc/09/92/08/839099208.db2.gz FIBOIVHNPBGEFQ-ZIAGYGMSSA-N 1 1 333.392 0.969 20 5 ECBDMO Nc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174195797 231146747 /nfs/dbraw/zinc/14/67/47/231146747.db2.gz LTDIQYRTIOYKHE-LBPRGKRZSA-N 1 1 334.376 0.971 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067040014 215106903 /nfs/dbraw/zinc/10/69/03/215106903.db2.gz PVCDWQYQOVPMHD-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000186940580 236071382 /nfs/dbraw/zinc/07/13/82/236071382.db2.gz ZYTYXQRZLVQKQA-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000186940580 236071385 /nfs/dbraw/zinc/07/13/85/236071385.db2.gz ZYTYXQRZLVQKQA-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264950175 247077974 /nfs/dbraw/zinc/07/79/74/247077974.db2.gz XUOXZAFHSPDHOC-UHFFFAOYSA-N 1 1 334.332 0.259 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000265237910 247327056 /nfs/dbraw/zinc/32/70/56/247327056.db2.gz QPDORZOXLWTYRS-LBPRGKRZSA-N 1 1 343.405 0.974 20 5 ECBDMO C[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000444636244 211089200 /nfs/dbraw/zinc/08/92/00/211089200.db2.gz MZQPDLBBEYRCED-NSHDSACASA-N 1 1 346.391 0.723 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267781606 251342058 /nfs/dbraw/zinc/34/20/58/251342058.db2.gz IAYPFEJQLXYOFF-ZDUSSCGKSA-N 1 1 347.375 0.941 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267781606 251342060 /nfs/dbraw/zinc/34/20/60/251342060.db2.gz IAYPFEJQLXYOFF-ZDUSSCGKSA-N 1 1 347.375 0.941 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268599942 252055845 /nfs/dbraw/zinc/05/58/45/252055845.db2.gz WKVMEDAIRFOUST-QWHCGFSZSA-N 1 1 340.380 0.958 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000268599942 252055847 /nfs/dbraw/zinc/05/58/47/252055847.db2.gz WKVMEDAIRFOUST-QWHCGFSZSA-N 1 1 340.380 0.958 20 5 ECBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(N)=O ZINC000411254319 208078840 /nfs/dbraw/zinc/07/88/40/208078840.db2.gz HRGDNICBMIRLNQ-NSHDSACASA-N 1 1 338.364 0.746 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413928949 208381480 /nfs/dbraw/zinc/38/14/80/208381480.db2.gz ZPQVCRXGMSPQCA-NSHDSACASA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413928949 208381486 /nfs/dbraw/zinc/38/14/86/208381486.db2.gz ZPQVCRXGMSPQCA-NSHDSACASA-N 1 1 339.323 0.911 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116890785 221007672 /nfs/dbraw/zinc/00/76/72/221007672.db2.gz MJXFJHAQGANYCZ-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CC(N)=O)CC1 ZINC000171634303 227188951 /nfs/dbraw/zinc/18/89/51/227188951.db2.gz SLIVEGPDWULSAE-UHFFFAOYSA-N 1 1 349.391 0.335 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000183957353 263157669 /nfs/dbraw/zinc/15/76/69/263157669.db2.gz BOKPJQGHTVMLSW-UHFFFAOYSA-N 1 1 347.375 0.825 20 5 ECBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619100 263192469 /nfs/dbraw/zinc/19/24/69/263192469.db2.gz MKQURWITCMCNMI-QWHCGFSZSA-N 1 1 336.392 0.993 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000270470587 263244706 /nfs/dbraw/zinc/24/47/06/263244706.db2.gz BVGFCXXMKCBISF-UHFFFAOYSA-N 1 1 334.332 0.777 20 5 ECBDMO CNC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000272814353 263377165 /nfs/dbraw/zinc/37/71/65/263377165.db2.gz DCAVUXJJTRVUTE-CYBMUJFWSA-N 1 1 336.348 0.370 20 5 ECBDMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000272814353 263377167 /nfs/dbraw/zinc/37/71/67/263377167.db2.gz DCAVUXJJTRVUTE-CYBMUJFWSA-N 1 1 336.348 0.370 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283297206 264104170 /nfs/dbraw/zinc/10/41/70/264104170.db2.gz XGSGUPAWYYBFSQ-VIFPVBQESA-N 1 1 326.328 0.455 20 5 ECBDMO CN(C(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000284830681 264242563 /nfs/dbraw/zinc/24/25/63/264242563.db2.gz MQLGHGURUVWBKB-CVEARBPZSA-N 1 1 348.403 0.963 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000284959171 264262617 /nfs/dbraw/zinc/26/26/17/264262617.db2.gz ARWFDWOJHFGNGO-UHFFFAOYSA-N 1 1 338.368 0.038 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839904 264343457 /nfs/dbraw/zinc/34/34/57/264343457.db2.gz PTLOWLFDYXNGIZ-GHMZBOCLSA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839904 264343459 /nfs/dbraw/zinc/34/34/59/264343459.db2.gz PTLOWLFDYXNGIZ-GHMZBOCLSA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839904 264343461 /nfs/dbraw/zinc/34/34/61/264343461.db2.gz PTLOWLFDYXNGIZ-GHMZBOCLSA-N 1 1 337.380 0.986 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C(N)=O ZINC000286297854 264387561 /nfs/dbraw/zinc/38/75/61/264387561.db2.gz UHUWWGWNQQPLRR-ZWNOBZJWSA-N 1 1 332.360 0.537 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295259865 265058484 /nfs/dbraw/zinc/05/84/84/265058484.db2.gz GSULEAZPNTYKCR-UHFFFAOYSA-N 1 1 343.405 0.638 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCN2CCOCC2)CC1 ZINC000297296754 265137926 /nfs/dbraw/zinc/13/79/26/265137926.db2.gz AGMZFOIURIQNBJ-UHFFFAOYSA-N 1 1 335.408 0.834 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000297296754 265137929 /nfs/dbraw/zinc/13/79/29/265137929.db2.gz AGMZFOIURIQNBJ-UHFFFAOYSA-N 1 1 335.408 0.834 20 5 ECBDMO CCc1nn(C)c(N2CC[NH+](C(COC)COC)CC2)c1[N+](=O)[O-] ZINC000413482225 276700259 /nfs/dbraw/zinc/70/02/59/276700259.db2.gz VCVHBMSPLOPBSZ-UHFFFAOYSA-N 1 1 341.412 0.674 20 5 ECBDMO Nc1c(C(=O)NCC[N@@H+]2CCCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000189455620 437602695 /nfs/dbraw/zinc/60/26/95/437602695.db2.gz YCZUYKWHFCNTNB-UHFFFAOYSA-N 1 1 326.328 0.768 20 5 ECBDMO Nc1c(C(=O)NCC[N@H+]2CCCOCC2)cc(F)cc1[N+](=O)[O-] ZINC000189455620 437602702 /nfs/dbraw/zinc/60/27/02/437602702.db2.gz YCZUYKWHFCNTNB-UHFFFAOYSA-N 1 1 326.328 0.768 20 5 ECBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332385453 297036925 /nfs/dbraw/zinc/03/69/25/297036925.db2.gz UGOGHHQEDDZTEQ-NSHDSACASA-N 1 1 348.359 0.483 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332385453 297036926 /nfs/dbraw/zinc/03/69/26/297036926.db2.gz UGOGHHQEDDZTEQ-NSHDSACASA-N 1 1 348.359 0.483 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337955123 297228313 /nfs/dbraw/zinc/22/83/13/297228313.db2.gz WXJCYAOIXQDVBR-ZDUSSCGKSA-N 1 1 337.380 0.595 20 5 ECBDMO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000345402146 298151756 /nfs/dbraw/zinc/15/17/56/298151756.db2.gz HTVTWPPGXUSABQ-LBPRGKRZSA-N 1 1 338.412 0.332 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3[C@@H](CO)CC[C@@H]3CO)o2)cc1 ZINC000347346313 298439333 /nfs/dbraw/zinc/43/93/33/298439333.db2.gz UBCQHABULGICLD-CHWSQXEVSA-N 1 1 334.332 0.962 20 5 ECBDMO C[C@@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000353378392 299043526 /nfs/dbraw/zinc/04/35/26/299043526.db2.gz GXLSUCRZOJGAFM-DGCLKSJQSA-N 1 1 334.376 0.924 20 5 ECBDMO CCOc1cc(N2CC[NH+]([C@H]3COC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000361396876 300089359 /nfs/dbraw/zinc/08/93/59/300089359.db2.gz VLZLLRSSYPXKQE-GJZGRUSLSA-N 1 1 337.376 0.875 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180306 300167656 /nfs/dbraw/zinc/16/76/56/300167656.db2.gz IFCJDJVTBZJBMG-YDHLFZDLSA-N 1 1 325.413 0.957 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180306 300167658 /nfs/dbraw/zinc/16/76/58/300167658.db2.gz IFCJDJVTBZJBMG-YDHLFZDLSA-N 1 1 325.413 0.957 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000374424305 301108177 /nfs/dbraw/zinc/10/81/77/301108177.db2.gz PYCXBBYHHDLFMG-GFCCVEGCSA-N 1 1 341.437 0.894 20 5 ECBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000374424305 301108179 /nfs/dbraw/zinc/10/81/79/301108179.db2.gz PYCXBBYHHDLFMG-GFCCVEGCSA-N 1 1 341.437 0.894 20 5 ECBDMO Cn1nccc1C1=CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375689980 301198593 /nfs/dbraw/zinc/19/85/93/301198593.db2.gz SAKQGLRYVFOGIS-CQSZACIVSA-N 1 1 332.364 0.675 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000090550733 436433586 /nfs/dbraw/zinc/43/35/86/436433586.db2.gz FMGMGIRJMINDNK-CQSZACIVSA-N 1 1 336.392 0.411 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1 ZINC000052472495 436507547 /nfs/dbraw/zinc/50/75/47/436507547.db2.gz UXGHEBUVXFEBOG-UHFFFAOYSA-N 1 1 340.405 0.774 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000106401135 436594526 /nfs/dbraw/zinc/59/45/26/436594526.db2.gz CKJLOYDTHWZPOD-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000530572613 302016722 /nfs/dbraw/zinc/01/67/22/302016722.db2.gz HHTHWYZUYMQXHW-AWEZNQCLSA-N 1 1 349.391 0.359 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000530572613 302016723 /nfs/dbraw/zinc/01/67/23/302016723.db2.gz HHTHWYZUYMQXHW-AWEZNQCLSA-N 1 1 349.391 0.359 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000061524511 436637061 /nfs/dbraw/zinc/63/70/61/436637061.db2.gz AVACVRWHYKMGJU-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000063667147 436644788 /nfs/dbraw/zinc/64/47/88/436644788.db2.gz ANPBPIBMQQQFJG-UHFFFAOYSA-N 1 1 339.371 0.683 20 5 ECBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548944252 302334943 /nfs/dbraw/zinc/33/49/43/302334943.db2.gz MOEMQRVONKKWLV-GFCCVEGCSA-N 1 1 336.396 0.560 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000269306780 436656798 /nfs/dbraw/zinc/65/67/98/436656798.db2.gz GNIOHMWFYJSBPE-CYBMUJFWSA-N 1 1 328.365 0.257 20 5 ECBDMO Cc1c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000194921458 436673711 /nfs/dbraw/zinc/67/37/11/436673711.db2.gz KGGPNCBLVNGYES-TXEJJXNPSA-N 1 1 332.360 0.862 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000293262665 436860915 /nfs/dbraw/zinc/86/09/15/436860915.db2.gz GDPCZRLXQSPICN-UHFFFAOYSA-N 1 1 341.387 0.929 20 5 ECBDMO CN(CCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CC[NH+](C)C ZINC000293262665 436860918 /nfs/dbraw/zinc/86/09/18/436860918.db2.gz GDPCZRLXQSPICN-UHFFFAOYSA-N 1 1 341.387 0.929 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249606453 436824985 /nfs/dbraw/zinc/82/49/85/436824985.db2.gz ZVDKOXVXQYQWNH-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249606453 436824987 /nfs/dbraw/zinc/82/49/87/436824987.db2.gz ZVDKOXVXQYQWNH-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000135700180 436922386 /nfs/dbraw/zinc/92/23/86/436922386.db2.gz CUECRBXQKAMZFG-LBPRGKRZSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)n1 ZINC000135700180 436922391 /nfs/dbraw/zinc/92/23/91/436922391.db2.gz CUECRBXQKAMZFG-LBPRGKRZSA-N 1 1 343.409 0.291 20 5 ECBDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000275134007 436927761 /nfs/dbraw/zinc/92/77/61/436927761.db2.gz SMYLMXUPNRKFAP-VIFPVBQESA-N 1 1 335.286 0.792 20 5 ECBDMO Nc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc(F)cc1[N+](=O)[O-] ZINC000295418461 436967054 /nfs/dbraw/zinc/96/70/54/436967054.db2.gz JWNSMLZNUQCSNX-LLVKDONJSA-N 1 1 340.355 0.893 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295603934 436974051 /nfs/dbraw/zinc/97/40/51/436974051.db2.gz XHEIWHNZQWPEMA-CYBMUJFWSA-N 1 1 337.376 0.937 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295624119 436975265 /nfs/dbraw/zinc/97/52/65/436975265.db2.gz YXCYBAMQAAJOLE-ZDUSSCGKSA-N 1 1 337.376 0.937 20 5 ECBDMO COCCC[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275496650 436975944 /nfs/dbraw/zinc/97/59/44/436975944.db2.gz QEQMSWQVQQCQAA-ZDUSSCGKSA-N 1 1 328.365 0.665 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000264564901 437046669 /nfs/dbraw/zinc/04/66/69/437046669.db2.gz RHUDBRBZPMLYNR-UHFFFAOYSA-N 1 1 340.405 0.939 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)CCCO ZINC000264595153 437049847 /nfs/dbraw/zinc/04/98/47/437049847.db2.gz BKKKKUYZIFXOJB-UHFFFAOYSA-N 1 1 341.364 0.609 20 5 ECBDMO CCS(=O)(=O)NCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474667 437053117 /nfs/dbraw/zinc/05/31/17/437053117.db2.gz PMGXVTPCPBSTAS-LLVKDONJSA-N 1 1 343.409 0.415 20 5 ECBDMO CCS(=O)(=O)NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474667 437053120 /nfs/dbraw/zinc/05/31/20/437053120.db2.gz PMGXVTPCPBSTAS-LLVKDONJSA-N 1 1 343.409 0.415 20 5 ECBDMO COCCOC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174117090 437074597 /nfs/dbraw/zinc/07/45/97/437074597.db2.gz GVBKDXHJAPWAFF-OCCSQVGLSA-N 1 1 328.369 0.137 20 5 ECBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1 ZINC000331475057 437104079 /nfs/dbraw/zinc/10/40/79/437104079.db2.gz PINSKVZNIDQHSY-IACUBPJLSA-N 1 1 337.380 0.143 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286700388 437120308 /nfs/dbraw/zinc/12/03/08/437120308.db2.gz DEHJHLHVJVOBRQ-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000301846033 437133903 /nfs/dbraw/zinc/13/39/03/437133903.db2.gz ALNFBGZZLLMSHZ-JQWIXIFHSA-N 1 1 335.364 0.754 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000301846033 437133906 /nfs/dbraw/zinc/13/39/06/437133906.db2.gz ALNFBGZZLLMSHZ-JQWIXIFHSA-N 1 1 335.364 0.754 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000317469403 437192412 /nfs/dbraw/zinc/19/24/12/437192412.db2.gz QKDPVUPKSSEUHZ-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278111110 437282087 /nfs/dbraw/zinc/28/20/87/437282087.db2.gz RSKONSSVCLPRSH-GFCCVEGCSA-N 1 1 338.364 0.662 20 5 ECBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339038982 437435647 /nfs/dbraw/zinc/43/56/47/437435647.db2.gz FAIMYQXSLLYAFF-UHFFFAOYSA-N 1 1 333.414 0.821 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+](CCO)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000289782914 437440899 /nfs/dbraw/zinc/44/08/99/437440899.db2.gz LUULFAHFHXCVLH-NSHDSACASA-N 1 1 325.365 0.907 20 5 ECBDMO O=C1CC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751184 437647218 /nfs/dbraw/zinc/64/72/18/437647218.db2.gz OWVMAMSAJGDACM-STQMWFEESA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751184 437647222 /nfs/dbraw/zinc/64/72/22/437647222.db2.gz OWVMAMSAJGDACM-STQMWFEESA-N 1 1 335.360 0.641 20 5 ECBDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364947187 437831941 /nfs/dbraw/zinc/83/19/41/437831941.db2.gz NIKDXLVECMTNQM-LBPRGKRZSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364947187 437831949 /nfs/dbraw/zinc/83/19/49/437831949.db2.gz NIKDXLVECMTNQM-LBPRGKRZSA-N 1 1 343.405 0.672 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415619573 437834088 /nfs/dbraw/zinc/83/40/88/437834088.db2.gz YURFLZRKLFEYGL-UHFFFAOYSA-N 1 1 346.290 0.642 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CCCO1 ZINC000347159986 437843099 /nfs/dbraw/zinc/84/30/99/437843099.db2.gz MTTNWUZHELSFIW-LLVKDONJSA-N 1 1 325.369 0.559 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416492936 437944413 /nfs/dbraw/zinc/94/44/13/437944413.db2.gz BZOHZAZCRBXVQU-SNVBAGLBSA-N 1 1 329.378 0.833 20 5 ECBDMO C[C@@H]1C[N@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049878 438131233 /nfs/dbraw/zinc/13/12/33/438131233.db2.gz SFTSZKCMVYQGMQ-NEPJUHHUSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049878 438131235 /nfs/dbraw/zinc/13/12/35/438131235.db2.gz SFTSZKCMVYQGMQ-NEPJUHHUSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049889 438132562 /nfs/dbraw/zinc/13/25/62/438132562.db2.gz SFTSZKCMVYQGMQ-VXGBXAGGSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049889 438132568 /nfs/dbraw/zinc/13/25/68/438132568.db2.gz SFTSZKCMVYQGMQ-VXGBXAGGSA-N 1 1 342.421 0.413 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000358078164 438144598 /nfs/dbraw/zinc/14/45/98/438144598.db2.gz XWCUKJVBOBDYAE-AWEZNQCLSA-N 1 1 345.302 0.993 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000373435986 438151626 /nfs/dbraw/zinc/15/16/26/438151626.db2.gz QKZLHOLNACQSQG-UHFFFAOYSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352124403 438386316 /nfs/dbraw/zinc/38/63/16/438386316.db2.gz YBOPTIAYAILKNK-AWEZNQCLSA-N 1 1 339.396 0.654 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000352361646 438411971 /nfs/dbraw/zinc/41/19/71/438411971.db2.gz LAOOVOIMYIBJNT-UONOGXRCSA-N 1 1 326.353 0.034 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420637413 438416359 /nfs/dbraw/zinc/41/63/59/438416359.db2.gz OMTHJQJSFLDEJY-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352770754 438474754 /nfs/dbraw/zinc/47/47/54/438474754.db2.gz UKVDFGOJTXRKAO-LBPRGKRZSA-N 1 1 347.331 0.159 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352770754 438474758 /nfs/dbraw/zinc/47/47/58/438474758.db2.gz UKVDFGOJTXRKAO-LBPRGKRZSA-N 1 1 347.331 0.159 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420979579 438456416 /nfs/dbraw/zinc/45/64/16/438456416.db2.gz SXLFJPIGYVTNDL-GFCCVEGCSA-N 1 1 332.360 0.552 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420979579 438456421 /nfs/dbraw/zinc/45/64/21/438456421.db2.gz SXLFJPIGYVTNDL-GFCCVEGCSA-N 1 1 332.360 0.552 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000369348472 438457624 /nfs/dbraw/zinc/45/76/24/438457624.db2.gz SZBRMGVZVDFOGA-CQSZACIVSA-N 1 1 348.403 0.731 20 5 ECBDMO COC(=O)C(C)(C)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000494486165 438694498 /nfs/dbraw/zinc/69/44/98/438694498.db2.gz UANBFPBGUUIXIO-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456028867 438756365 /nfs/dbraw/zinc/75/63/65/438756365.db2.gz TUBWWIHCRUXXGM-WDEREUQCSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456028867 438756367 /nfs/dbraw/zinc/75/63/67/438756367.db2.gz TUBWWIHCRUXXGM-WDEREUQCSA-N 1 1 337.380 0.559 20 5 ECBDMO CN1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000576101367 438769463 /nfs/dbraw/zinc/76/94/63/438769463.db2.gz RFVRNYXECXDSOI-SNVBAGLBSA-N 1 1 327.362 0.189 20 5 ECBDMO O=[N+]([O-])c1c(N2CC([NH+]3CCCC3)C2)ncnc1N1CCOCC1 ZINC000601193212 438829051 /nfs/dbraw/zinc/82/90/51/438829051.db2.gz BVOMNWWICNOMIV-UHFFFAOYSA-N 1 1 334.380 0.506 20 5 ECBDMO C[NH+]1CCN(CCCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000514815458 438832736 /nfs/dbraw/zinc/83/27/36/438832736.db2.gz NBWJJDGFXSQJEA-UHFFFAOYSA-N 1 1 336.396 0.528 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860718 438843515 /nfs/dbraw/zinc/84/35/15/438843515.db2.gz KYNFPTJCFKOKQD-OLZOCXBDSA-N 1 1 334.376 0.674 20 5 ECBDMO Nc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000588860198 438844403 /nfs/dbraw/zinc/84/44/03/438844403.db2.gz GBQGBFWFXUBFBT-QWRGUYRKSA-N 1 1 338.339 0.597 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000588861335 438847256 /nfs/dbraw/zinc/84/72/56/438847256.db2.gz QZHGKAYQFNVHSC-NWDGAFQWSA-N 1 1 335.360 0.885 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735174 438852863 /nfs/dbraw/zinc/85/28/63/438852863.db2.gz DDQCUHJUXOPDLI-STQMWFEESA-N 1 1 326.349 0.682 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000515581158 438874967 /nfs/dbraw/zinc/87/49/67/438874967.db2.gz SOGVSEWTDGZELB-NJZAAPMLSA-N 1 1 326.349 0.010 20 5 ECBDMO NC(=O)c1cc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596105754 438925581 /nfs/dbraw/zinc/92/55/81/438925581.db2.gz YFQXQMILGBYWGC-NSHDSACASA-N 1 1 349.391 0.693 20 5 ECBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596179909 438937297 /nfs/dbraw/zinc/93/72/97/438937297.db2.gz UYFYORSLENWNAR-VHSXEESVSA-N 1 1 328.394 0.771 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000596622068 438982050 /nfs/dbraw/zinc/98/20/50/438982050.db2.gz VGBNDBUKJSVTDE-MFKMUULPSA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000596622068 438982054 /nfs/dbraw/zinc/98/20/54/438982054.db2.gz VGBNDBUKJSVTDE-MFKMUULPSA-N 1 1 336.348 0.152 20 5 ECBDMO COCC(COC)[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602694595 439123941 /nfs/dbraw/zinc/12/39/41/439123941.db2.gz JPVQUNGSXRLAAF-UHFFFAOYSA-N 1 1 327.385 0.107 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCC([N@@H+](C)CCCO)CC1 ZINC000602785532 439134723 /nfs/dbraw/zinc/13/47/23/439134723.db2.gz WFUPXHVVSXCHPI-UHFFFAOYSA-N 1 1 325.413 0.878 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603595200 439274667 /nfs/dbraw/zinc/27/46/67/439274667.db2.gz OKFRSKPXTZBYTA-GFCCVEGCSA-N 1 1 335.364 0.390 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598539162 439276236 /nfs/dbraw/zinc/27/62/36/439276236.db2.gz GLMTUVKPIIRDFE-NSHDSACASA-N 1 1 325.369 0.809 20 5 ECBDMO CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])c(N(C)CC2CN(C)C2)n1 ZINC000603411764 439256145 /nfs/dbraw/zinc/25/61/45/439256145.db2.gz YYDIJLBNSSEOLA-UHFFFAOYSA-N 1 1 349.439 0.380 20 5 ECBDMO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CC[NH+](C2CCC2)CC1 ZINC000598597240 439284515 /nfs/dbraw/zinc/28/45/15/439284515.db2.gz YILLGGUKMZFDDL-UHFFFAOYSA-N 1 1 348.407 0.896 20 5 ECBDMO Nc1c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598452279 439264983 /nfs/dbraw/zinc/26/49/83/439264983.db2.gz INGCAMGPXCWUHV-GFCCVEGCSA-N 1 1 334.376 0.848 20 5 ECBDMO C[N@@H+](CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598894874 439324250 /nfs/dbraw/zinc/32/42/50/439324250.db2.gz SXFJIXIYPIDNQI-UHFFFAOYSA-N 1 1 335.364 0.927 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599104039 439358623 /nfs/dbraw/zinc/35/86/23/439358623.db2.gz LDNJAWPYLUCPKB-UHFFFAOYSA-N 1 1 335.364 0.390 20 5 ECBDMO COc1ccc(C[N@@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000599139418 439368174 /nfs/dbraw/zinc/36/81/74/439368174.db2.gz MCQPXXPMWYIYNF-GFCCVEGCSA-N 1 1 344.375 1.084 20 5 ECBDMO COc1ccc(C[N@H+]2CC[C@@H]2CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000599139418 439368178 /nfs/dbraw/zinc/36/81/78/439368178.db2.gz MCQPXXPMWYIYNF-GFCCVEGCSA-N 1 1 344.375 1.084 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198953 439526164 /nfs/dbraw/zinc/52/61/64/439526164.db2.gz WMEULGDLIZIONK-KBPBESRZSA-N 1 1 334.376 0.890 20 5 ECBDMO Nc1nccc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000594255644 439531910 /nfs/dbraw/zinc/53/19/10/439531910.db2.gz JACKQCWTQMTVPU-LBPRGKRZSA-N 1 1 349.391 0.899 20 5 ECBDMO CCc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000571878175 439539324 /nfs/dbraw/zinc/53/93/24/439539324.db2.gz PTPKUQZNRGDXSX-AWEZNQCLSA-N 1 1 343.405 0.502 20 5 ECBDMO CNc1nccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000571895431 439540541 /nfs/dbraw/zinc/54/05/41/439540541.db2.gz STYGSEIXDSZRPM-NSHDSACASA-N 1 1 337.380 0.608 20 5 ECBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705609 439541226 /nfs/dbraw/zinc/54/12/26/439541226.db2.gz XQXKEVLCQCXFGK-JSGCOSHPSA-N 1 1 325.369 0.143 20 5 ECBDMO CN1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100430 439556385 /nfs/dbraw/zinc/55/63/85/439556385.db2.gz XEEYVCFNHLQGLP-UONOGXRCSA-N 1 1 337.376 0.887 20 5 ECBDMO CN1C[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100429 439557411 /nfs/dbraw/zinc/55/74/11/439557411.db2.gz XEEYVCFNHLQGLP-KGLIPLIRSA-N 1 1 337.376 0.887 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609359030 439567079 /nfs/dbraw/zinc/56/70/79/439567079.db2.gz LFHAKAJFPZSRPT-CQSZACIVSA-N 1 1 349.391 0.734 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000610489305 439620848 /nfs/dbraw/zinc/62/08/48/439620848.db2.gz ZVPURXKUJCTXPP-ZDUSSCGKSA-N 1 1 349.391 0.780 20 5 ECBDMO Cc1noc(C[NH+]2CCC([C@@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] ZINC000595339472 439706471 /nfs/dbraw/zinc/70/64/71/439706471.db2.gz PKSBHRHTUUQXNG-CQSZACIVSA-N 1 1 337.336 0.701 20 5 ECBDMO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)nn21 ZINC000611239224 439684488 /nfs/dbraw/zinc/68/44/88/439684488.db2.gz LKZFGEMPZFLCSS-LBPRGKRZSA-N 1 1 332.364 0.939 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000611871405 439733829 /nfs/dbraw/zinc/73/38/29/439733829.db2.gz NOZFKDJSFRTVJT-LLVKDONJSA-N 1 1 336.348 0.752 20 5 ECBDMO CC(C)(C(=O)N1CC[N@H+](CCO)C(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000614894355 439789745 /nfs/dbraw/zinc/78/97/45/439789745.db2.gz AYHPJKCRFODKLV-UHFFFAOYSA-N 1 1 339.396 0.442 20 5 ECBDMO CC(C)(C(=O)N1CC[N@@H+](CCO)C(C)(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000614894355 439789746 /nfs/dbraw/zinc/78/97/46/439789746.db2.gz AYHPJKCRFODKLV-UHFFFAOYSA-N 1 1 339.396 0.442 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344440330 321151513 /nfs/dbraw/zinc/15/15/13/321151513.db2.gz NJZXMNGKMFYYTF-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO C[C@@H](CN1CCOCC1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000540298578 322083742 /nfs/dbraw/zinc/08/37/42/322083742.db2.gz LQUYZNMFXWSZNK-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000560745500 322249617 /nfs/dbraw/zinc/24/96/17/322249617.db2.gz SVFHUSGZNFPBCJ-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO C[C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562400512 322272659 /nfs/dbraw/zinc/27/26/59/322272659.db2.gz HQYOFIFOJMTWFG-ZDUSSCGKSA-N 1 1 348.403 0.979 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000190256378 534583386 /nfs/dbraw/zinc/58/33/86/534583386.db2.gz UPNIQXAMRFLKDV-UHFFFAOYSA-N 1 1 326.263 0.499 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000184006336 528550450 /nfs/dbraw/zinc/55/04/50/528550450.db2.gz ILVHSXJDCYTCCR-UHFFFAOYSA-N 1 1 347.375 0.825 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600809161 546297109 /nfs/dbraw/zinc/29/71/09/546297109.db2.gz TZMAYFQKSALBNP-ZDUSSCGKSA-N 1 1 345.359 0.577 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251898 546310506 /nfs/dbraw/zinc/31/05/06/546310506.db2.gz ABOSTDVCNGEFLU-CHWSQXEVSA-N 1 1 325.344 0.826 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000750855189 579359556 /nfs/dbraw/zinc/35/95/56/579359556.db2.gz RJSZAWVHDXKVMS-UHFFFAOYSA-N 1 1 349.391 0.361 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106537 579413068 /nfs/dbraw/zinc/41/30/68/579413068.db2.gz ZMFSWJHXQLAIJR-QWHCGFSZSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106537 579413070 /nfs/dbraw/zinc/41/30/70/579413070.db2.gz ZMFSWJHXQLAIJR-QWHCGFSZSA-N 1 1 329.378 0.381 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736145458 578410988 /nfs/dbraw/zinc/41/09/88/578410988.db2.gz CAVPGHBIGUOLSE-MNOVXSKESA-N 1 1 347.379 0.666 20 5 ECBDMO CC[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736569658 578437701 /nfs/dbraw/zinc/43/77/01/578437701.db2.gz SGNCMZKVTHDHAX-LLVKDONJSA-N 1 1 333.352 0.908 20 5 ECBDMO CC[N@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736569658 578437702 /nfs/dbraw/zinc/43/77/02/578437702.db2.gz SGNCMZKVTHDHAX-LLVKDONJSA-N 1 1 333.352 0.908 20 5 ECBDMO CCOCC[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736624295 578442704 /nfs/dbraw/zinc/44/27/04/578442704.db2.gz UGXULRHSCAKOPX-UHFFFAOYSA-N 1 1 347.379 0.933 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC000768767352 579131354 /nfs/dbraw/zinc/13/13/54/579131354.db2.gz FBUGNLDMJVTZAL-CZUORRHYSA-N 1 1 348.403 0.556 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000769621250 579148878 /nfs/dbraw/zinc/14/88/78/579148878.db2.gz DOLORHZWXLLKJE-UHFFFAOYSA-N 1 1 333.348 0.810 20 5 ECBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000776591237 579285201 /nfs/dbraw/zinc/28/52/01/579285201.db2.gz HYQDLMDUHAURCL-INIZCTEOSA-N 1 1 339.392 0.255 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592387 579285396 /nfs/dbraw/zinc/28/53/96/579285396.db2.gz NPOSRCUYEIWULC-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592387 579285398 /nfs/dbraw/zinc/28/53/98/579285398.db2.gz NPOSRCUYEIWULC-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)NC ZINC000741787805 579777679 /nfs/dbraw/zinc/77/76/79/579777679.db2.gz UORKCRIZJNARBP-UHFFFAOYSA-N 1 1 336.348 0.961 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896545517 586250830 /nfs/dbraw/zinc/25/08/30/586250830.db2.gz QOAUWOKTQQOOAC-FZMZJTMJSA-N 1 1 336.392 0.968 20 5 ECBDMO COc1cccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000888985194 586251380 /nfs/dbraw/zinc/25/13/80/586251380.db2.gz OLHXVSNVQHYKRI-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1cccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000888985194 586251381 /nfs/dbraw/zinc/25/13/81/586251381.db2.gz OLHXVSNVQHYKRI-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896555439 586253841 /nfs/dbraw/zinc/25/38/41/586253841.db2.gz JLBXZMCESZDHAK-BBRMVZONSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896555439 586253845 /nfs/dbraw/zinc/25/38/45/586253845.db2.gz JLBXZMCESZDHAK-BBRMVZONSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896555439 586253848 /nfs/dbraw/zinc/25/38/48/586253848.db2.gz JLBXZMCESZDHAK-BBRMVZONSA-N 1 1 349.435 0.782 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896581982 586260978 /nfs/dbraw/zinc/26/09/78/586260978.db2.gz OZBNQXNJIVACFS-SMDDNHRTSA-N 1 1 336.392 0.968 20 5 ECBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900811452 586666737 /nfs/dbraw/zinc/66/67/37/586666737.db2.gz LPPCZTAOHADVHR-CQDKDKBSSA-N 1 1 336.392 0.379 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707597 586889667 /nfs/dbraw/zinc/88/96/67/586889667.db2.gz DCAHYTBSCAHHEE-ZJIFWQFVSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839707597 586889670 /nfs/dbraw/zinc/88/96/70/586889670.db2.gz DCAHYTBSCAHHEE-ZJIFWQFVSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839707597 586889673 /nfs/dbraw/zinc/88/96/73/586889673.db2.gz DCAHYTBSCAHHEE-ZJIFWQFVSA-N 1 1 333.388 0.651 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(N)=O)CC2)n1 ZINC000804340253 587083427 /nfs/dbraw/zinc/08/34/27/587083427.db2.gz OACHEDJVJHBYQZ-UHFFFAOYSA-N 1 1 337.336 0.138 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)C1CC1 ZINC000817289172 587338061 /nfs/dbraw/zinc/33/80/61/587338061.db2.gz UECXIXKBOLLGLP-CQSZACIVSA-N 1 1 343.405 0.576 20 5 ECBDMO CS(=O)(=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000818963421 587462706 /nfs/dbraw/zinc/46/27/06/587462706.db2.gz SIVZIWNTNSZKQM-UHFFFAOYSA-N 1 1 336.391 0.003 20 5 ECBDMO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821627346 587608323 /nfs/dbraw/zinc/60/83/23/587608323.db2.gz XVSDUJPFFKHXKG-UHFFFAOYSA-N 1 1 347.383 0.219 20 5 ECBDMO COCC[N@H+]1CC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821691034 587623076 /nfs/dbraw/zinc/62/30/76/587623076.db2.gz GDPCWUPUPFXUJU-SECBINFHSA-N 1 1 334.340 0.303 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@@H]21 ZINC000828988460 588213216 /nfs/dbraw/zinc/21/32/16/588213216.db2.gz XYZITCALYHEFTO-SKDRFNHKSA-N 1 1 326.378 0.383 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC000846560972 589211838 /nfs/dbraw/zinc/21/18/38/589211838.db2.gz FMFCVRYHLIVJMP-UHFFFAOYSA-N 1 1 337.380 0.755 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C(C)(C)C1 ZINC000846560972 589211840 /nfs/dbraw/zinc/21/18/40/589211840.db2.gz FMFCVRYHLIVJMP-UHFFFAOYSA-N 1 1 337.380 0.755 20 5 ECBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347681 589841533 /nfs/dbraw/zinc/84/15/33/589841533.db2.gz QQAPPWNCCAXLSE-OCCSQVGLSA-N 1 1 326.353 0.834 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880581403 590408327 /nfs/dbraw/zinc/40/83/27/590408327.db2.gz AWUOMJYOBSYCSI-AWEZNQCLSA-N 1 1 337.376 0.620 20 5 ECBDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000883893021 590678108 /nfs/dbraw/zinc/67/81/08/590678108.db2.gz BLOKRYLYIMBOLO-AWEZNQCLSA-N 1 1 348.407 0.916 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887939060 591023494 /nfs/dbraw/zinc/02/34/94/591023494.db2.gz MQHCZQGKFYVYDU-DYVFJYSZSA-N 1 1 346.387 0.735 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000931405037 611537212 /nfs/dbraw/zinc/53/72/12/611537212.db2.gz FWOMZTHOUHOCRA-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1CO ZINC000931405037 611537215 /nfs/dbraw/zinc/53/72/15/611537215.db2.gz FWOMZTHOUHOCRA-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000924984873 608686659 /nfs/dbraw/zinc/68/66/59/608686659.db2.gz YMHGOWPHNDCURN-NEPJUHHUSA-N 1 1 327.768 0.972 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000924984875 608687007 /nfs/dbraw/zinc/68/70/07/608687007.db2.gz YMHGOWPHNDCURN-NWDGAFQWSA-N 1 1 327.768 0.972 20 5 ECBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000928565661 611702326 /nfs/dbraw/zinc/70/23/26/611702326.db2.gz AIINSYKIUYCXIT-ZDUSSCGKSA-N 1 1 334.376 0.865 20 5 ECBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000928565661 611702327 /nfs/dbraw/zinc/70/23/27/611702327.db2.gz AIINSYKIUYCXIT-ZDUSSCGKSA-N 1 1 334.376 0.865 20 5 ECBDMO COCC[NH+](CCOC)C1CN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000911859870 609916501 /nfs/dbraw/zinc/91/65/01/609916501.db2.gz PETDYTULTFKMBA-UHFFFAOYSA-N 1 1 327.337 0.607 20 5 ECBDMO C[NH+]1CCC(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000941007165 610490080 /nfs/dbraw/zinc/49/00/80/610490080.db2.gz GJXQLHMABGXZKL-ZIAGYGMSSA-N 1 1 338.408 0.054 20 5 ECBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC001164667412 719410947 /nfs/dbraw/zinc/41/09/47/719410947.db2.gz FQXUTYLXQWQKAK-CHWSQXEVSA-N 1 1 336.348 0.686 20 5 ECBDMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)nn1 ZINC001025766515 739932411 /nfs/dbraw/zinc/93/24/11/739932411.db2.gz OQUJISJFBJQRFO-NHAGDIPZSA-N 1 1 342.359 0.584 20 5 ECBDMO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001025775378 739943235 /nfs/dbraw/zinc/94/32/35/739943235.db2.gz UJBUCAJVUGTESK-VVSAWPALSA-N 1 1 332.360 0.302 20 5 ECBDMO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC000997768879 743799812 /nfs/dbraw/zinc/79/98/12/743799812.db2.gz KRMXOSXDRPAEOG-HUUCEWRRSA-N 1 1 348.403 0.379 20 5 ECBDMO O=C(Cn1nccn1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981249070 750468255 /nfs/dbraw/zinc/46/82/55/750468255.db2.gz MWJNHSPPHROWLW-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(Cn1nccn1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000981249070 750468258 /nfs/dbraw/zinc/46/82/58/750468258.db2.gz MWJNHSPPHROWLW-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001021051722 752481894 /nfs/dbraw/zinc/48/18/94/752481894.db2.gz NNAFRXJCWAUYGD-HAQNSBGRSA-N 1 1 336.396 0.161 20 5 ECBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC001168350777 754906682 /nfs/dbraw/zinc/90/66/82/754906682.db2.gz WGSVAXJJKHCXJY-UHFFFAOYSA-N 1 1 340.336 0.808 20 5 ECBDMO Cc1cc(C)cc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126936241 756743969 /nfs/dbraw/zinc/74/39/69/756743969.db2.gz CGMQAEULDYCAQN-ZIAGYGMSSA-N 1 1 334.376 0.613 20 5 ECBDMO O=C(NCC[NH2+]Cc1cnnn1-c1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936438 756759140 /nfs/dbraw/zinc/75/91/40/756759140.db2.gz HWUDKCRMXGKUDJ-ZIAGYGMSSA-N 1 1 330.348 0.138 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996428770 757655184 /nfs/dbraw/zinc/65/51/84/757655184.db2.gz HDLPVFLMKWWVNT-HUUCEWRRSA-N 1 1 333.392 0.575 20 5 ECBDMO C[NH+](C)Cc1ccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000991293464 760166880 /nfs/dbraw/zinc/16/68/80/760166880.db2.gz BEFXESFPRZZMNE-HUUCEWRRSA-N 1 1 346.387 0.354 20 5 ECBDMO CC(C)(C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000991851249 763978960 /nfs/dbraw/zinc/97/89/60/763978960.db2.gz YWBHJLXWKDXCTC-CHWSQXEVSA-N 1 1 338.408 0.243 20 5 ECBDMO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)C[N@@H+](C)C(C)C ZINC001106778618 768941802 /nfs/dbraw/zinc/94/18/02/768941802.db2.gz FSOJCKYJFVSXHA-UHFFFAOYSA-N 1 1 339.400 0.568 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001055823789 769859033 /nfs/dbraw/zinc/85/90/33/769859033.db2.gz QTLZJDYZNGTTOM-UHFFFAOYSA-N 1 1 346.347 0.549 20 5 ECBDMO Cc1c(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)nnn1C ZINC001031592603 771358519 /nfs/dbraw/zinc/35/85/19/771358519.db2.gz UWYTXTPNBPXZMV-UHFFFAOYSA-N 1 1 344.375 0.894 20 5 ECBDMO Cc1cc(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC001020066578 772119967 /nfs/dbraw/zinc/11/99/67/772119967.db2.gz NCERJENUBMFUIE-XYPYZODXSA-N 1 1 347.379 0.339 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067483457 215151738 /nfs/dbraw/zinc/15/17/38/215151738.db2.gz SXEIUQIABCFIAG-NSHDSACASA-N 1 1 330.348 0.857 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068606484 215322676 /nfs/dbraw/zinc/32/26/76/215322676.db2.gz SGUYXNGCKMMPEC-UHFFFAOYSA-N 1 1 334.376 0.877 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000355313314 299237480 /nfs/dbraw/zinc/23/74/80/299237480.db2.gz HEYCESQQMFONCS-OLZOCXBDSA-N 1 1 336.348 0.631 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000186964443 236080861 /nfs/dbraw/zinc/08/08/61/236080861.db2.gz CIZVHPWLDLLSIR-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189802409 237264541 /nfs/dbraw/zinc/26/45/41/237264541.db2.gz GZKCXDVNBZUJIU-UHFFFAOYSA-N 1 1 331.394 0.988 20 5 ECBDMO COCC[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189802409 237264550 /nfs/dbraw/zinc/26/45/50/237264550.db2.gz GZKCXDVNBZUJIU-UHFFFAOYSA-N 1 1 331.394 0.988 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000131486284 223238604 /nfs/dbraw/zinc/23/86/04/223238604.db2.gz VPBOACQQOLCDAJ-CYBMUJFWSA-N 1 1 339.396 0.453 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246658109 243287877 /nfs/dbraw/zinc/28/78/77/243287877.db2.gz HAFFFDFAGHVPOJ-RYUDHWBXSA-N 1 1 339.396 0.403 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000264245054 246235850 /nfs/dbraw/zinc/23/58/50/246235850.db2.gz GAOMFHJOXBATAH-NEPJUHHUSA-N 1 1 334.376 0.781 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000092842884 218175885 /nfs/dbraw/zinc/17/58/85/218175885.db2.gz OMCLOOSACVMWRK-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000092842884 218175886 /nfs/dbraw/zinc/17/58/86/218175886.db2.gz OMCLOOSACVMWRK-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495870664 255051524 /nfs/dbraw/zinc/05/15/24/255051524.db2.gz VHTAPBULLWUWMU-QWHCGFSZSA-N 1 1 341.368 0.315 20 5 ECBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495870662 255051721 /nfs/dbraw/zinc/05/17/21/255051721.db2.gz VHTAPBULLWUWMU-CHWSQXEVSA-N 1 1 341.368 0.315 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419329391 209061450 /nfs/dbraw/zinc/06/14/50/209061450.db2.gz FCHWECZXXZEWEM-VXGBXAGGSA-N 1 1 336.392 0.581 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000116890773 221007522 /nfs/dbraw/zinc/00/75/22/221007522.db2.gz ISGLCXAPGSWOQO-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000116890773 221007523 /nfs/dbraw/zinc/00/75/23/221007523.db2.gz ISGLCXAPGSWOQO-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000109066764 286350297 /nfs/dbraw/zinc/35/02/97/286350297.db2.gz KFVDAWVPOXWFLX-AOOOYVTPSA-N 1 1 329.378 0.974 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189354724 437592928 /nfs/dbraw/zinc/59/29/28/437592928.db2.gz VCXZNUQSRBXGTJ-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000184338434 263158675 /nfs/dbraw/zinc/15/86/75/263158675.db2.gz VWWAIRXVRSINLN-UHFFFAOYSA-N 1 1 331.394 0.328 20 5 ECBDMO COCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000264439265 263177964 /nfs/dbraw/zinc/17/79/64/263177964.db2.gz ZBOPBZYKBUPPPI-WCQYABFASA-N 1 1 341.364 0.157 20 5 ECBDMO COCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000264439265 263177965 /nfs/dbraw/zinc/17/79/65/263177965.db2.gz ZBOPBZYKBUPPPI-WCQYABFASA-N 1 1 341.364 0.157 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269473123 263184328 /nfs/dbraw/zinc/18/43/28/263184328.db2.gz UWPGGHMXJWVCTG-SNVBAGLBSA-N 1 1 325.369 0.844 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000269692051 263197475 /nfs/dbraw/zinc/19/74/75/263197475.db2.gz ILKISNMCIPXVRX-YUELXQCFSA-N 1 1 334.380 0.932 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272410813 263347311 /nfs/dbraw/zinc/34/73/11/263347311.db2.gz ZHPATPGSYKMERY-NSHDSACASA-N 1 1 336.348 0.299 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000282251848 264028836 /nfs/dbraw/zinc/02/88/36/264028836.db2.gz GQBPQHLCKQAIMX-XPTSAGLGSA-N 1 1 336.348 0.656 20 5 ECBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC(=O)N(C)C1=O ZINC000282527773 264050249 /nfs/dbraw/zinc/05/02/49/264050249.db2.gz QEIHRIQWPWAKLO-LBPRGKRZSA-N 1 1 336.348 0.226 20 5 ECBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC(=O)N(C)C1=O ZINC000282527773 264050252 /nfs/dbraw/zinc/05/02/52/264050252.db2.gz QEIHRIQWPWAKLO-LBPRGKRZSA-N 1 1 336.348 0.226 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284852255 264246279 /nfs/dbraw/zinc/24/62/79/264246279.db2.gz CYELUMFDRSPKBW-CHWSQXEVSA-N 1 1 338.339 0.861 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284965519 264263412 /nfs/dbraw/zinc/26/34/12/264263412.db2.gz WSEWLLSSSBRMHG-HUUCEWRRSA-N 1 1 334.376 0.599 20 5 ECBDMO CNC(=O)c1ccc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000284984332 264265976 /nfs/dbraw/zinc/26/59/76/264265976.db2.gz LAQHGDCZLVBJBC-LSDHHAIUSA-N 1 1 334.376 0.864 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286149248 264375358 /nfs/dbraw/zinc/37/53/58/264375358.db2.gz INBZYMIDYSLKLK-AWEZNQCLSA-N 1 1 333.392 0.920 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CCO)CC1 ZINC000298092679 265221685 /nfs/dbraw/zinc/22/16/85/265221685.db2.gz JMGVESFIAXPNOP-UHFFFAOYSA-N 1 1 336.392 0.842 20 5 ECBDMO C[C@H](C[NH+]1CCOCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509522 279318224 /nfs/dbraw/zinc/31/82/24/279318224.db2.gz MTWKKMURNDPHEU-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H](CN1CCOCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509522 279318226 /nfs/dbraw/zinc/31/82/26/279318226.db2.gz MTWKKMURNDPHEU-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)n1 ZINC000332728580 297068457 /nfs/dbraw/zinc/06/84/57/297068457.db2.gz UWNGSLRDWCBONB-GHMZBOCLSA-N 1 1 325.369 0.338 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000339389274 297344882 /nfs/dbraw/zinc/34/48/82/297344882.db2.gz FGDBJHSVUSLNGR-HOTGVXAUSA-N 1 1 348.403 0.989 20 5 ECBDMO C[C@@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344603113 298041530 /nfs/dbraw/zinc/04/15/30/298041530.db2.gz QBVHEKOYAXAONF-BXUZGUMPSA-N 1 1 334.376 0.924 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361522217 300104576 /nfs/dbraw/zinc/10/45/76/300104576.db2.gz AGAVLEGTFMXSEL-UKRRQHHQSA-N 1 1 340.380 0.422 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000361773993 300123845 /nfs/dbraw/zinc/12/38/45/300123845.db2.gz JWHQLKFEEGGNMQ-OAGGEKHMSA-N 1 1 332.404 0.757 20 5 ECBDMO Cn1cc(C[N@@H+]2CCCN(Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000363499305 300270541 /nfs/dbraw/zinc/27/05/41/300270541.db2.gz MZPXORRNGJMJPF-UHFFFAOYSA-N 1 1 333.396 0.770 20 5 ECBDMO Cn1cc(C[N@H+]2CCCN(Cc3c([N+](=O)[O-])ncn3C)CC2)cn1 ZINC000363499305 300270543 /nfs/dbraw/zinc/27/05/43/300270543.db2.gz MZPXORRNGJMJPF-UHFFFAOYSA-N 1 1 333.396 0.770 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375498871 301180867 /nfs/dbraw/zinc/18/08/67/301180867.db2.gz GTQXYWRLQVAQBK-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000375498869 301180931 /nfs/dbraw/zinc/18/09/31/301180931.db2.gz GTQXYWRLQVAQBK-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO O=c1[nH]cnc2cc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])cc21 ZINC000029185979 436198732 /nfs/dbraw/zinc/19/87/32/436198732.db2.gz NNNMGAQHKAVRRW-UHFFFAOYSA-N 1 1 333.348 0.966 20 5 ECBDMO COc1ccc(OCCN2CCC(O)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420407112 301466366 /nfs/dbraw/zinc/46/63/66/301466366.db2.gz SUFKSYPYKDEODW-UHFFFAOYSA-N 1 1 325.365 0.768 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112924297 436634957 /nfs/dbraw/zinc/63/49/57/436634957.db2.gz KKHUCYBPIWMJPR-LBPRGKRZSA-N 1 1 330.348 1.000 20 5 ECBDMO CC(C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000065772904 436672189 /nfs/dbraw/zinc/67/21/89/436672189.db2.gz GFIIIXSXAIVAIA-CQSZACIVSA-N 1 1 339.396 0.654 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000274471027 436829555 /nfs/dbraw/zinc/82/95/55/436829555.db2.gz ZGZQHKCHICBIGQ-GDBMZVCRSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@]3(CCOC3)C2)c1 ZINC000274471027 436829559 /nfs/dbraw/zinc/82/95/59/436829559.db2.gz ZGZQHKCHICBIGQ-GDBMZVCRSA-N 1 1 338.360 0.826 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280724161 436915662 /nfs/dbraw/zinc/91/56/62/436915662.db2.gz IDZNKBXETHJAIR-CZUORRHYSA-N 1 1 337.376 0.793 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000280828449 436923424 /nfs/dbraw/zinc/92/34/24/436923424.db2.gz OUMFMPQHJDATMI-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCOCCO)CC3)nc2c1 ZINC000274802583 436874964 /nfs/dbraw/zinc/87/49/64/436874964.db2.gz FUXIGXGIWOQNCP-UHFFFAOYSA-N 1 1 349.391 0.992 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000275426675 436967751 /nfs/dbraw/zinc/96/77/51/436967751.db2.gz JVVOIPGQLMUNMM-LLVKDONJSA-N 1 1 341.339 0.638 20 5 ECBDMO O=c1[nH]cnc2cc(N3CCC[N@H+](CCO)CC3)c([N+](=O)[O-])cc12 ZINC000171506926 436981510 /nfs/dbraw/zinc/98/15/10/436981510.db2.gz GRGPMNUMJCYIGU-UHFFFAOYSA-N 1 1 333.348 0.336 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275700752 437002904 /nfs/dbraw/zinc/00/29/04/437002904.db2.gz SIMYUMCBGCLBAA-NSHDSACASA-N 1 1 329.378 0.594 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275700752 437002906 /nfs/dbraw/zinc/00/29/06/437002906.db2.gz SIMYUMCBGCLBAA-NSHDSACASA-N 1 1 329.378 0.594 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CO ZINC000282098528 437009821 /nfs/dbraw/zinc/00/98/21/437009821.db2.gz PBMBTUUWGVRALI-VXGBXAGGSA-N 1 1 325.365 0.987 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284153440 437044601 /nfs/dbraw/zinc/04/46/01/437044601.db2.gz WQFSNVSUJIZGFF-VIFPVBQESA-N 1 1 326.328 0.767 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCCC[N@@H+](C)CCOC)c1[N+](=O)[O-] ZINC000264586582 437050653 /nfs/dbraw/zinc/05/06/53/437050653.db2.gz CGDIYRFJFIDMNN-UHFFFAOYSA-N 1 1 327.385 0.969 20 5 ECBDMO O=C1CCC(=O)N1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464831 437052580 /nfs/dbraw/zinc/05/25/80/437052580.db2.gz IICBZXILFSOAJS-NSHDSACASA-N 1 1 333.348 0.625 20 5 ECBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284656688 437056349 /nfs/dbraw/zinc/05/63/49/437056349.db2.gz GFAYIODHOQROCP-TZMCWYRMSA-N 1 1 339.396 0.533 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299245792 437059982 /nfs/dbraw/zinc/05/99/82/437059982.db2.gz WYAQRNDLRDGIDI-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299245792 437059987 /nfs/dbraw/zinc/05/99/87/437059987.db2.gz WYAQRNDLRDGIDI-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO NC(=O)N1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264705789 437067014 /nfs/dbraw/zinc/06/70/14/437067014.db2.gz AUVVQDUFAWZBBW-CYBMUJFWSA-N 1 1 338.364 0.421 20 5 ECBDMO C[C@H](CO)[N@@H+](C[C@H](C)O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000276209901 437072232 /nfs/dbraw/zinc/07/22/32/437072232.db2.gz OYFUGYLNBVVHKT-DYEKYZERSA-N 1 1 328.365 0.398 20 5 ECBDMO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000176640840 437151933 /nfs/dbraw/zinc/15/19/33/437151933.db2.gz VMJOYGPWIDFINR-CQSZACIVSA-N 1 1 334.376 0.877 20 5 ECBDMO Cn1cc(C[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000304505076 437159846 /nfs/dbraw/zinc/15/98/46/437159846.db2.gz GWCMHXAAROSWIU-SWLSCSKDSA-N 1 1 334.380 0.450 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000331611589 437130331 /nfs/dbraw/zinc/13/03/31/437130331.db2.gz RRKYDUOFCCENLQ-GFCCVEGCSA-N 1 1 334.376 0.890 20 5 ECBDMO COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000266667181 437227699 /nfs/dbraw/zinc/22/76/99/437227699.db2.gz NCSNKRCMWPBPMZ-UHFFFAOYSA-N 1 1 338.364 0.618 20 5 ECBDMO C[NH+]1CCC(O)(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000266774387 437241389 /nfs/dbraw/zinc/24/13/89/437241389.db2.gz QXQCEDYIEIGQMW-UHFFFAOYSA-N 1 1 333.348 0.658 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1cnn(C)c1 ZINC000181415685 437319963 /nfs/dbraw/zinc/31/99/63/437319963.db2.gz JBASSKUNIRSTKY-AWEZNQCLSA-N 1 1 330.348 0.818 20 5 ECBDMO CCOCC[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000288033713 437270431 /nfs/dbraw/zinc/27/04/31/437270431.db2.gz TWVQIDWQDYZZRJ-UHFFFAOYSA-N 1 1 338.364 0.935 20 5 ECBDMO C[C@@H]([NH2+]CC(=O)NCC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180421396 437289900 /nfs/dbraw/zinc/28/99/00/437289900.db2.gz ZIPOVXGOXXFKHV-GFCCVEGCSA-N 1 1 334.376 0.984 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279058792 437369697 /nfs/dbraw/zinc/36/96/97/437369697.db2.gz LKNJPUUXWKAQQH-OAHLLOKOSA-N 1 1 334.332 0.648 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734954 437414374 /nfs/dbraw/zinc/41/43/74/437414374.db2.gz YQKQIAPYHIUAQH-NWDGAFQWSA-N 1 1 335.364 0.388 20 5 ECBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000184070275 437396459 /nfs/dbraw/zinc/39/64/59/437396459.db2.gz KDKMFMRLYVIXJB-GFCCVEGCSA-N 1 1 335.408 0.933 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185758635 437450947 /nfs/dbraw/zinc/45/09/47/437450947.db2.gz CGOADFOZEGCUMH-CYBMUJFWSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185758635 437450951 /nfs/dbraw/zinc/45/09/51/437450951.db2.gz CGOADFOZEGCUMH-CYBMUJFWSA-N 1 1 343.405 0.984 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353960638 437493598 /nfs/dbraw/zinc/49/35/98/437493598.db2.gz KECLAYLAVSXWHH-AWEZNQCLSA-N 1 1 349.391 0.604 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187657339 437509108 /nfs/dbraw/zinc/50/91/08/437509108.db2.gz FQFPWCDYURVYRJ-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187657339 437509114 /nfs/dbraw/zinc/50/91/14/437509114.db2.gz FQFPWCDYURVYRJ-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187700058 437514092 /nfs/dbraw/zinc/51/40/92/437514092.db2.gz GHBPVPLZJMMLEG-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187700058 437514103 /nfs/dbraw/zinc/51/41/03/437514103.db2.gz GHBPVPLZJMMLEG-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330460436 437518501 /nfs/dbraw/zinc/51/85/01/437518501.db2.gz VOQQQYZQWLBKNR-GHMZBOCLSA-N 1 1 345.425 0.914 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000360108783 437522744 /nfs/dbraw/zinc/52/27/44/437522744.db2.gz YXKAWMGZKYKZJI-OLZOCXBDSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000360108783 437522749 /nfs/dbraw/zinc/52/27/49/437522749.db2.gz YXKAWMGZKYKZJI-OLZOCXBDSA-N 1 1 341.389 0.736 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)n1 ZINC000191822593 437657604 /nfs/dbraw/zinc/65/76/04/437657604.db2.gz AALALCYMSHHLJM-LLVKDONJSA-N 1 1 325.369 0.509 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000415604975 437829508 /nfs/dbraw/zinc/82/95/08/437829508.db2.gz GIUHPFVAWBVVDB-UHFFFAOYSA-N 1 1 332.263 0.252 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365635551 437943538 /nfs/dbraw/zinc/94/35/38/437943538.db2.gz HBBLLCSMWUJGHS-MIGQKNRLSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365635551 437943545 /nfs/dbraw/zinc/94/35/45/437943545.db2.gz HBBLLCSMWUJGHS-MIGQKNRLSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365635551 437943554 /nfs/dbraw/zinc/94/35/54/437943554.db2.gz HBBLLCSMWUJGHS-MIGQKNRLSA-N 1 1 335.408 0.568 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768339 437968349 /nfs/dbraw/zinc/96/83/49/437968349.db2.gz GWAOVNOVPVFHOM-VXGBXAGGSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768339 437968353 /nfs/dbraw/zinc/96/83/53/437968353.db2.gz GWAOVNOVPVFHOM-VXGBXAGGSA-N 1 1 336.348 0.679 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000357911739 438097735 /nfs/dbraw/zinc/09/77/35/438097735.db2.gz KZDSZFLCBLIMRB-GFCCVEGCSA-N 1 1 348.359 0.531 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358216968 438184574 /nfs/dbraw/zinc/18/45/74/438184574.db2.gz UWMLJAVSFYBSKR-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358213157 438185214 /nfs/dbraw/zinc/18/52/14/438185214.db2.gz OOURDLKZYKPGIZ-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ncc([N+](=O)[O-])s2)CC1 ZINC000367147655 438172682 /nfs/dbraw/zinc/17/26/82/438172682.db2.gz TXLPUTNDBQQCLH-JTQLQIEISA-N 1 1 325.394 0.794 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]12 ZINC000377666985 438322090 /nfs/dbraw/zinc/32/20/90/438322090.db2.gz CREKLPJKWHBMRY-UXIGCNINSA-N 1 1 335.360 0.402 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)N1 ZINC000434799052 438325063 /nfs/dbraw/zinc/32/50/63/438325063.db2.gz OHXVFZYSBCTIGW-OAHLLOKOSA-N 1 1 344.331 0.645 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)N1 ZINC000434799052 438325068 /nfs/dbraw/zinc/32/50/68/438325068.db2.gz OHXVFZYSBCTIGW-OAHLLOKOSA-N 1 1 344.331 0.645 20 5 ECBDMO C[N@@H+](C[C@@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713987 438325058 /nfs/dbraw/zinc/32/50/58/438325058.db2.gz XYYCLJIOAJROIV-SWLSCSKDSA-N 1 1 335.408 0.931 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000359152142 438366777 /nfs/dbraw/zinc/36/67/77/438366777.db2.gz AYSHDSPBTXPOAP-AWEZNQCLSA-N 1 1 348.403 0.841 20 5 ECBDMO C[C@@](O)(CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000437699630 438453635 /nfs/dbraw/zinc/45/36/35/438453635.db2.gz REURVSBXLFSZSE-OAHLLOKOSA-N 1 1 338.364 0.800 20 5 ECBDMO CC[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000439159510 438501510 /nfs/dbraw/zinc/50/15/10/438501510.db2.gz JJRRNYYLFWALTD-NWDGAFQWSA-N 1 1 336.392 0.975 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CCO1 ZINC000359817276 438502357 /nfs/dbraw/zinc/50/23/57/438502357.db2.gz XVUGSGGEPNYBKH-NSHDSACASA-N 1 1 349.391 0.897 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422018418 438510761 /nfs/dbraw/zinc/51/07/61/438510761.db2.gz JFNCSSNQKKLFCE-AWEZNQCLSA-N 1 1 334.376 0.877 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825417 438520623 /nfs/dbraw/zinc/52/06/23/438520623.db2.gz IRWYYHBDAWDKBJ-JSGCOSHPSA-N 1 1 337.380 0.143 20 5 ECBDMO COc1cc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451881450 438612299 /nfs/dbraw/zinc/61/22/99/438612299.db2.gz YTBZOYWBIOZZGL-GXFFZTMASA-N 1 1 341.389 0.928 20 5 ECBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000451932752 438617438 /nfs/dbraw/zinc/61/74/38/438617438.db2.gz DBRUDRDJQKZUKR-TZMCWYRMSA-N 1 1 339.348 0.935 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000423537415 438685053 /nfs/dbraw/zinc/68/50/53/438685053.db2.gz CWXFIDSQGZDACE-ZDUSSCGKSA-N 1 1 346.387 0.940 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547730966 438720016 /nfs/dbraw/zinc/72/00/16/438720016.db2.gz LWSKRFJSIITJMC-UHFFFAOYSA-N 1 1 331.336 0.268 20 5 ECBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCN1C ZINC000414974394 438725187 /nfs/dbraw/zinc/72/51/87/438725187.db2.gz KFFXETRAQNOCMB-DOMZBBRYSA-N 1 1 335.408 0.805 20 5 ECBDMO Cn1cc(C[NH2+]C[C@@H]2CNCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977215 438725587 /nfs/dbraw/zinc/72/55/87/438725587.db2.gz POQHKQJKEUTIKB-INIZCTEOSA-N 1 1 344.419 0.989 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000575239417 438743546 /nfs/dbraw/zinc/74/35/46/438743546.db2.gz YBESIQCPPBYPBQ-YRGRVCCFSA-N 1 1 326.349 0.010 20 5 ECBDMO CNc1nc(C(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000455656163 438750564 /nfs/dbraw/zinc/75/05/64/438750564.db2.gz JZZKSILAJXGIMG-UHFFFAOYSA-N 1 1 325.394 0.810 20 5 ECBDMO CNc1nc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455734227 438752186 /nfs/dbraw/zinc/75/21/86/438752186.db2.gz NHLMSNMAWGSMOR-NSHDSACASA-N 1 1 337.380 0.730 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457140041 438798106 /nfs/dbraw/zinc/79/81/06/438798106.db2.gz XIVSEYHMYDAXLK-JTQLQIEISA-N 1 1 333.348 0.610 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457140041 438798109 /nfs/dbraw/zinc/79/81/09/438798109.db2.gz XIVSEYHMYDAXLK-JTQLQIEISA-N 1 1 333.348 0.610 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117879 438793342 /nfs/dbraw/zinc/79/33/42/438793342.db2.gz GZTBABBDRMTGLS-OLZOCXBDSA-N 1 1 333.392 0.836 20 5 ECBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658451 438839995 /nfs/dbraw/zinc/83/99/95/438839995.db2.gz JLJYJUDYDXGRAT-BBRMVZONSA-N 1 1 340.376 0.808 20 5 ECBDMO C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)NCC[NH+](C)C ZINC000588873931 438845184 /nfs/dbraw/zinc/84/51/84/438845184.db2.gz UAZMWJBJSHMVEQ-SECBINFHSA-N 1 1 348.363 0.267 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000515581159 438874702 /nfs/dbraw/zinc/87/47/02/438874702.db2.gz SOGVSEWTDGZELB-UXIGCNINSA-N 1 1 326.349 0.010 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000589930058 438892891 /nfs/dbraw/zinc/89/28/91/438892891.db2.gz RQPWOQMYPXOFKS-UWVGGRQHSA-N 1 1 329.382 0.136 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000589930058 438892895 /nfs/dbraw/zinc/89/28/95/438892895.db2.gz RQPWOQMYPXOFKS-UWVGGRQHSA-N 1 1 329.382 0.136 20 5 ECBDMO C[NH2+][C@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000578320277 438915252 /nfs/dbraw/zinc/91/52/52/438915252.db2.gz LWIVKJFWLHKKBY-AWEZNQCLSA-N 1 1 333.348 0.784 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000590444202 438925314 /nfs/dbraw/zinc/92/53/14/438925314.db2.gz MCTOYAOKWDYNCG-UKRRQHHQSA-N 1 1 346.387 0.796 20 5 ECBDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602059435 439004579 /nfs/dbraw/zinc/00/45/79/439004579.db2.gz ZMDIISPLYGPRQN-CYBMUJFWSA-N 1 1 333.392 0.980 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000591477947 439018322 /nfs/dbraw/zinc/01/83/22/439018322.db2.gz HXKMMDHAKXFRMV-CYBMUJFWSA-N 1 1 343.405 0.984 20 5 ECBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@](C)(CO)C1 ZINC000602963806 439171340 /nfs/dbraw/zinc/17/13/40/439171340.db2.gz IQMCLXARVBBYSR-YOEHRIQHSA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@](C)(CO)C1 ZINC000602963806 439171345 /nfs/dbraw/zinc/17/13/45/439171345.db2.gz IQMCLXARVBBYSR-YOEHRIQHSA-N 1 1 349.387 0.956 20 5 ECBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000487259172 439139330 /nfs/dbraw/zinc/13/93/30/439139330.db2.gz WLSBZABZJISFMA-UHFFFAOYSA-N 1 1 346.347 0.960 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597627000 439143677 /nfs/dbraw/zinc/14/36/77/439143677.db2.gz WGVXECKDCMKRAM-NSHDSACASA-N 1 1 348.359 0.443 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000592430261 439226693 /nfs/dbraw/zinc/22/66/93/439226693.db2.gz RNENHQVSTGHSHT-HUUCEWRRSA-N 1 1 339.392 0.381 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340977 439208153 /nfs/dbraw/zinc/20/81/53/439208153.db2.gz IKJYONRJPQVOSS-RISCZKNCSA-N 1 1 337.380 0.985 20 5 ECBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000598367158 439256475 /nfs/dbraw/zinc/25/64/75/439256475.db2.gz PHRPZQSYUXSBJL-VXGBXAGGSA-N 1 1 335.364 0.691 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000604059319 439295704 /nfs/dbraw/zinc/29/57/04/439295704.db2.gz BPNIIUDIYPWPCQ-UHFFFAOYSA-N 1 1 326.378 0.502 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000599108637 439360160 /nfs/dbraw/zinc/36/01/60/439360160.db2.gz SYDNKKATMRXPKS-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000570391950 439417192 /nfs/dbraw/zinc/41/71/92/439417192.db2.gz SXPONEZWLFFPOJ-WDEREUQCSA-N 1 1 326.378 0.705 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)n1 ZINC000599332144 439438541 /nfs/dbraw/zinc/43/85/41/439438541.db2.gz RGCXATVOISHJIW-UHFFFAOYSA-N 1 1 331.398 0.481 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027001 439510099 /nfs/dbraw/zinc/51/00/99/439510099.db2.gz JKTWGGHNQMHENJ-LSDHHAIUSA-N 1 1 348.403 0.983 20 5 ECBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856668 439478565 /nfs/dbraw/zinc/47/85/65/439478565.db2.gz ZDFZXBKKVITJIB-CYBMUJFWSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856668 439478568 /nfs/dbraw/zinc/47/85/68/439478568.db2.gz ZDFZXBKKVITJIB-CYBMUJFWSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594387563 439552182 /nfs/dbraw/zinc/55/21/82/439552182.db2.gz UINZRWPHTLFDEI-XUWVNRHRSA-N 1 1 331.372 0.976 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000609451648 439570223 /nfs/dbraw/zinc/57/02/23/439570223.db2.gz CJKYSVJKFQXHPO-UHFFFAOYSA-N 1 1 338.339 0.580 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938653 439580479 /nfs/dbraw/zinc/58/04/79/439580479.db2.gz CSDVDJZDJWUCCC-KBPBESRZSA-N 1 1 349.387 0.950 20 5 ECBDMO O=[N+]([O-])c1cn(C[C@H](O)C[NH+]2CCOCC2)nc1-c1ccccn1 ZINC000594732783 439596478 /nfs/dbraw/zinc/59/64/78/439596478.db2.gz NIDNJHKDSQJYJK-GFCCVEGCSA-N 1 1 333.348 0.546 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000594747619 439600257 /nfs/dbraw/zinc/60/02/57/439600257.db2.gz CWNHEXIOTSDIIM-SNVBAGLBSA-N 1 1 326.378 0.752 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000594789326 439612619 /nfs/dbraw/zinc/61/26/19/439612619.db2.gz LEQQONVFINGQIY-JTQLQIEISA-N 1 1 345.425 0.962 20 5 ECBDMO COCC[N@@H+](C)CCN1C[C@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000594874550 439636376 /nfs/dbraw/zinc/63/63/76/439636376.db2.gz ZVFWEOGOCHGEPO-GFCCVEGCSA-N 1 1 337.380 0.581 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595422296 439725478 /nfs/dbraw/zinc/72/54/78/439725478.db2.gz LCLLEQGXHATGKG-SNVBAGLBSA-N 1 1 326.353 0.960 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000595422296 439725482 /nfs/dbraw/zinc/72/54/82/439725482.db2.gz LCLLEQGXHATGKG-SNVBAGLBSA-N 1 1 326.353 0.960 20 5 ECBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@@H]1O ZINC000352799837 321372900 /nfs/dbraw/zinc/37/29/00/321372900.db2.gz MYPRFESLRQIYEH-OLZOCXBDSA-N 1 1 337.332 0.584 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000560390570 322238452 /nfs/dbraw/zinc/23/84/52/322238452.db2.gz SDQNPPBSHKXIRB-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO CN(C)CC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000563014347 322292720 /nfs/dbraw/zinc/29/27/20/322292720.db2.gz UHEMNKACZXCJTL-AWEZNQCLSA-N 1 1 325.413 0.864 20 5 ECBDMO NC(=O)c1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000569686987 322661419 /nfs/dbraw/zinc/66/14/19/322661419.db2.gz VFIBXNXIPXCUDF-SECBINFHSA-N 1 1 336.304 0.211 20 5 ECBDMO C[C@H]([NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)NCCF ZINC000619715618 546363711 /nfs/dbraw/zinc/36/37/11/546363711.db2.gz JMSPBUNLSFCTJP-VIFPVBQESA-N 1 1 327.312 0.930 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000736173964 578413433 /nfs/dbraw/zinc/41/34/33/578413433.db2.gz MPAZYZUXEGELEV-ZDUSSCGKSA-N 1 1 349.391 0.725 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000784503882 578753066 /nfs/dbraw/zinc/75/30/66/578753066.db2.gz AOZSZNOGBAHFPA-SNVBAGLBSA-N 1 1 339.352 0.038 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582790 579284788 /nfs/dbraw/zinc/28/47/88/579284788.db2.gz BZJNZPRQWPUNEZ-DGCLKSJQSA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582790 579284790 /nfs/dbraw/zinc/28/47/90/579284790.db2.gz BZJNZPRQWPUNEZ-DGCLKSJQSA-N 1 1 329.378 0.252 20 5 ECBDMO NS(=O)(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000761023156 579519553 /nfs/dbraw/zinc/51/95/53/579519553.db2.gz SULHRYVXBQEFCH-ZDUSSCGKSA-N 1 1 329.378 0.381 20 5 ECBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000762817126 579549014 /nfs/dbraw/zinc/54/90/14/579549014.db2.gz CXCWZBCZECQZRN-AWEZNQCLSA-N 1 1 338.320 0.608 20 5 ECBDMO O=C1OCCN1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000744192912 579807020 /nfs/dbraw/zinc/80/70/20/579807020.db2.gz GJMMPEZQQQLVIS-UHFFFAOYSA-N 1 1 335.364 0.954 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841216242 588982959 /nfs/dbraw/zinc/98/29/59/588982959.db2.gz VHMPPTFHBMULTC-UHFFFAOYSA-N 1 1 336.682 0.897 20 5 ECBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891709984 586191176 /nfs/dbraw/zinc/19/11/76/586191176.db2.gz YEBFKQONECUGIH-UHFFFAOYSA-N 1 1 338.412 0.709 20 5 ECBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000891709984 586191178 /nfs/dbraw/zinc/19/11/78/586191178.db2.gz YEBFKQONECUGIH-UHFFFAOYSA-N 1 1 338.412 0.709 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000891830303 586199806 /nfs/dbraw/zinc/19/98/06/586199806.db2.gz DUMXKPSLWFQQMM-UHFFFAOYSA-N 1 1 336.396 0.319 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[NH+](CCCO)CC2)c2ccccc21 ZINC000892165697 586226046 /nfs/dbraw/zinc/22/60/46/586226046.db2.gz ZEXWSHAOVUPTCJ-UHFFFAOYSA-N 1 1 346.387 0.951 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896566923 586256850 /nfs/dbraw/zinc/25/68/50/586256850.db2.gz FGBYQBYOSFPDJO-IAQYHMDHSA-N 1 1 336.392 0.968 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082071 587115552 /nfs/dbraw/zinc/11/55/52/587115552.db2.gz YUAUQDJJANUFLD-ZBEGNZNMSA-N 1 1 348.359 0.687 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082071 587115554 /nfs/dbraw/zinc/11/55/54/587115554.db2.gz YUAUQDJJANUFLD-ZBEGNZNMSA-N 1 1 348.359 0.687 20 5 ECBDMO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCN2CC3)c(-c2nn[nH]n2)c1 ZINC000826498693 588064081 /nfs/dbraw/zinc/06/40/81/588064081.db2.gz FQNLONSYDSKVHY-NSHDSACASA-N 1 1 330.352 0.187 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000827983334 588150536 /nfs/dbraw/zinc/15/05/36/588150536.db2.gz KQVAHXJBSNYWFH-ZDUSSCGKSA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000827983334 588150538 /nfs/dbraw/zinc/15/05/38/588150538.db2.gz KQVAHXJBSNYWFH-ZDUSSCGKSA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829338711 588322479 /nfs/dbraw/zinc/32/24/79/588322479.db2.gz YRXQUMVJFHOIRO-DOTOQJQBSA-N 1 1 346.387 0.918 20 5 ECBDMO CCOC(=O)Cc1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848765911 589309842 /nfs/dbraw/zinc/30/98/42/589309842.db2.gz IJJXLPHMGAGORN-UONOGXRCSA-N 1 1 349.387 0.956 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000867811247 589846781 /nfs/dbraw/zinc/84/67/81/589846781.db2.gz OFPOVTLKDPLLJJ-ZYHUDNBSSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863832619 590041449 /nfs/dbraw/zinc/04/14/49/590041449.db2.gz BXKNEZXEADXGMQ-VIFPVBQESA-N 1 1 337.361 0.396 20 5 ECBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000931406624 611537573 /nfs/dbraw/zinc/53/75/73/611537573.db2.gz BTFUXPKMTZWIKF-LBPRGKRZSA-N 1 1 325.365 0.591 20 5 ECBDMO CC(C)C[C@H]1CN(C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251104 608729074 /nfs/dbraw/zinc/72/90/74/608729074.db2.gz OZOACAGIDZXEJB-ZFWWWQNUSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251104 608729076 /nfs/dbraw/zinc/72/90/76/608729076.db2.gz OZOACAGIDZXEJB-ZFWWWQNUSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251104 608729078 /nfs/dbraw/zinc/72/90/78/608729078.db2.gz OZOACAGIDZXEJB-ZFWWWQNUSA-N 1 1 325.413 0.814 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928094683 611673745 /nfs/dbraw/zinc/67/37/45/611673745.db2.gz BWTVOOTVNOIAAB-GXSJLCMTSA-N 1 1 325.394 0.638 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928094683 611673746 /nfs/dbraw/zinc/67/37/46/611673746.db2.gz BWTVOOTVNOIAAB-GXSJLCMTSA-N 1 1 325.394 0.638 20 5 ECBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000928553347 611700485 /nfs/dbraw/zinc/70/04/85/611700485.db2.gz DFGUNBKRZNKXAJ-LBPRGKRZSA-N 1 1 334.376 0.865 20 5 ECBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000928553347 611700488 /nfs/dbraw/zinc/70/04/88/611700488.db2.gz DFGUNBKRZNKXAJ-LBPRGKRZSA-N 1 1 334.376 0.865 20 5 ECBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913285596 609661368 /nfs/dbraw/zinc/66/13/68/609661368.db2.gz UDSUTQFPBPFLKT-IYBDPMFKSA-N 1 1 334.376 0.557 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933675911 611740551 /nfs/dbraw/zinc/74/05/51/611740551.db2.gz QHEGVKZINFVLPE-UKRRQHHQSA-N 1 1 337.376 0.884 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933675911 611740552 /nfs/dbraw/zinc/74/05/52/611740552.db2.gz QHEGVKZINFVLPE-UKRRQHHQSA-N 1 1 337.376 0.884 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775485 739943495 /nfs/dbraw/zinc/94/34/95/739943495.db2.gz CZQYRRQEPNLPTA-UUAJXVIYSA-N 1 1 343.383 0.928 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc4c(c3)COC4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775485 739943498 /nfs/dbraw/zinc/94/34/98/739943498.db2.gz CZQYRRQEPNLPTA-UUAJXVIYSA-N 1 1 343.383 0.928 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4c(c3)COC4)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775485 739943500 /nfs/dbraw/zinc/94/35/00/739943500.db2.gz CZQYRRQEPNLPTA-UUAJXVIYSA-N 1 1 343.383 0.928 20 5 ECBDMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025806534 739985417 /nfs/dbraw/zinc/98/54/17/739985417.db2.gz WVYKFWKMGVLVGZ-FOLVSLTJSA-N 1 1 342.359 0.433 20 5 ECBDMO CCn1cc(CC[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001001399034 746340443 /nfs/dbraw/zinc/34/04/43/746340443.db2.gz HRBYVGLBMWOPKF-HZPDHXFCSA-N 1 1 349.435 0.939 20 5 ECBDMO O=C(NC1CC[NH+](Cc2ccc(CO)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789963 747790107 /nfs/dbraw/zinc/79/01/07/747790107.db2.gz YXQORFVYHVTBIP-HZPDHXFCSA-N 1 1 333.388 0.925 20 5 ECBDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC001003452892 748568956 /nfs/dbraw/zinc/56/89/56/748568956.db2.gz NJXDKNBQGQJNKW-UHFFFAOYSA-N 1 1 345.363 0.513 20 5 ECBDMO CN(Cc1csnn1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964278 750112651 /nfs/dbraw/zinc/11/26/51/750112651.db2.gz CRABFCAIBDLSEF-CHWSQXEVSA-N 1 1 339.421 0.874 20 5 ECBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990419 750424854 /nfs/dbraw/zinc/42/48/54/750424854.db2.gz QJTLDEJPFKCBJN-UHFFFAOYSA-N 1 1 334.376 0.751 20 5 ECBDMO NC(=O)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981678741 750962945 /nfs/dbraw/zinc/96/29/45/750962945.db2.gz DDFWREGSAXGNNW-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)c(F)c1 ZINC001126936297 756744665 /nfs/dbraw/zinc/74/46/65/756744665.db2.gz FSBPMLUIJGEIPM-BXKDBHETSA-N 1 1 342.302 0.274 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NC1CCCCCCC1 ZINC001126939251 756806997 /nfs/dbraw/zinc/80/69/97/756806997.db2.gz UIYDBYNQNWURLS-ZIAGYGMSSA-N 1 1 340.424 0.587 20 5 ECBDMO COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428869 757655166 /nfs/dbraw/zinc/65/51/66/757655166.db2.gz JVIZKDJIRNBGLL-ZIAGYGMSSA-N 1 1 334.376 0.836 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 ZINC001111531573 763049207 /nfs/dbraw/zinc/04/92/07/763049207.db2.gz ZWBCMEDZSDSFCF-UHFFFAOYSA-N 1 1 348.363 0.428 20 5 ECBDMO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031890597 763329474 /nfs/dbraw/zinc/32/94/74/763329474.db2.gz GAOYQFXEJSGLFN-UHFFFAOYSA-N 1 1 330.348 0.883 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)C1(c2ccccn2)CC1 ZINC001127245571 765996456 /nfs/dbraw/zinc/99/64/56/765996456.db2.gz JDEHITGZRRVAKV-UHFFFAOYSA-N 1 1 344.375 0.661 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC001060456291 767224489 /nfs/dbraw/zinc/22/44/89/767224489.db2.gz PMLACZZGUJYWQF-VIKVFOODSA-N 1 1 342.359 0.746 20 5 ECBDMO Cn1ncc(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)c1N ZINC001031628525 771526075 /nfs/dbraw/zinc/52/60/75/771526075.db2.gz PLAOJNOHPWCERQ-UHFFFAOYSA-N 1 1 344.375 0.772 20 5 ECBDMO C[N@H+](CCNC(=O)CCn1cnnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266341948 835728954 /nfs/dbraw/zinc/72/89/54/835728954.db2.gz FNKXQZRYMIGQQE-UHFFFAOYSA-N 1 1 333.352 0.220 20 5 ECBDMO C[N@@H+](CCNC(=O)CCn1cnnn1)Cc1cccc([N+](=O)[O-])c1 ZINC001266341948 835728958 /nfs/dbraw/zinc/72/89/58/835728958.db2.gz FNKXQZRYMIGQQE-UHFFFAOYSA-N 1 1 333.352 0.220 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000174335030 231181278 /nfs/dbraw/zinc/18/12/78/231181278.db2.gz QNVYLHLUCLIQSC-VXGBXAGGSA-N 1 1 325.369 0.095 20 5 ECBDMO NC(=O)CC[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174709749 231285925 /nfs/dbraw/zinc/28/59/25/231285925.db2.gz UROVEEWJFGCLST-OAHLLOKOSA-N 1 1 347.375 0.530 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000427492874 210204552 /nfs/dbraw/zinc/20/45/52/210204552.db2.gz NTLGWUHSKCTPNR-LLVKDONJSA-N 1 1 325.369 0.340 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000427291783 210190183 /nfs/dbraw/zinc/19/01/83/210190183.db2.gz JUKHOTFPOZFJRO-UHFFFAOYSA-N 1 1 345.306 0.104 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000183594037 235154860 /nfs/dbraw/zinc/15/48/60/235154860.db2.gz DHEGARFDEHMNBU-CYBMUJFWSA-N 1 1 334.376 0.843 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355599826 299279848 /nfs/dbraw/zinc/27/98/48/299279848.db2.gz DODGRKRMHFRCHN-LLVKDONJSA-N 1 1 337.332 0.454 20 5 ECBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)c1 ZINC000356729399 299433089 /nfs/dbraw/zinc/43/30/89/299433089.db2.gz LNTAYWMOEGUQDP-UHFFFAOYSA-N 1 1 330.348 0.994 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266179886 248152410 /nfs/dbraw/zinc/15/24/10/248152410.db2.gz YKQNQWUBVZWDGE-AWEZNQCLSA-N 1 1 334.376 0.593 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3ccco3)CC2)c1 ZINC000266469334 248316752 /nfs/dbraw/zinc/31/67/52/248316752.db2.gz RFZNDKIGKKMFRM-CQSZACIVSA-N 1 1 335.364 0.563 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000450959995 211354650 /nfs/dbraw/zinc/35/46/50/211354650.db2.gz ZKUOWQXRUPAHMU-NSHDSACASA-N 1 1 338.364 0.588 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000450959995 211354653 /nfs/dbraw/zinc/35/46/53/211354653.db2.gz ZKUOWQXRUPAHMU-NSHDSACASA-N 1 1 338.364 0.588 20 5 ECBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379713 211185953 /nfs/dbraw/zinc/18/59/53/211185953.db2.gz CAOXELJIGNFHKR-QWHCGFSZSA-N 1 1 328.369 0.137 20 5 ECBDMO CC(=O)N1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268687904 252139611 /nfs/dbraw/zinc/13/96/11/252139611.db2.gz OCUAAUJQMJOBBZ-SWLSCSKDSA-N 1 1 337.376 0.887 20 5 ECBDMO CC(=O)N1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268687904 252139616 /nfs/dbraw/zinc/13/96/16/252139616.db2.gz OCUAAUJQMJOBBZ-SWLSCSKDSA-N 1 1 337.376 0.887 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414143455 208394877 /nfs/dbraw/zinc/39/48/77/208394877.db2.gz LOSKJHHPXWSTTQ-NTZNESFSSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414143455 208394884 /nfs/dbraw/zinc/39/48/84/208394884.db2.gz LOSKJHHPXWSTTQ-NTZNESFSSA-N 1 1 325.365 0.535 20 5 ECBDMO C[C@]1(F)C[NH2+]CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415782249 208579125 /nfs/dbraw/zinc/57/91/25/208579125.db2.gz LUEVIACLIIQDQB-AWEZNQCLSA-N 1 1 342.302 0.832 20 5 ECBDMO CN(C)c1nc(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000357957520 299657968 /nfs/dbraw/zinc/65/79/68/299657968.db2.gz IIASVTLHVLSHRQ-UHFFFAOYSA-N 1 1 346.395 0.470 20 5 ECBDMO CCC[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272884869 296772106 /nfs/dbraw/zinc/77/21/06/296772106.db2.gz IAGPSLWDJGEAMV-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000192700482 165045565 /nfs/dbraw/zinc/04/55/65/165045565.db2.gz CHXIYCAXVNRJQM-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000192700482 165045568 /nfs/dbraw/zinc/04/55/68/165045568.db2.gz CHXIYCAXVNRJQM-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461957 165178882 /nfs/dbraw/zinc/17/88/82/165178882.db2.gz PLYWAYMVIWOINA-CHWSQXEVSA-N 1 1 337.376 0.793 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261916602 165261860 /nfs/dbraw/zinc/26/18/60/165261860.db2.gz IEARQDKUNJAFEF-GFCCVEGCSA-N 1 1 334.311 0.499 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269435651 263183010 /nfs/dbraw/zinc/18/30/10/263183010.db2.gz OKOLCIKZVKVXNM-JTQLQIEISA-N 1 1 325.369 0.892 20 5 ECBDMO Cn1cc([C@H](CO)[NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cn1 ZINC000275126940 263553941 /nfs/dbraw/zinc/55/39/41/263553941.db2.gz BDCDNOPTCWLWOM-AWEZNQCLSA-N 1 1 345.359 0.541 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000282363469 264037783 /nfs/dbraw/zinc/03/77/83/264037783.db2.gz NKZLEFFOHYOSMG-OTYXRUKQSA-N 1 1 336.348 0.656 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000282363480 264037995 /nfs/dbraw/zinc/03/79/95/264037995.db2.gz NKZLEFFOHYOSMG-YMTOWFKASA-N 1 1 336.348 0.656 20 5 ECBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@H+](CCO)CC3)cc2N1 ZINC000104658563 275018496 /nfs/dbraw/zinc/01/84/96/275018496.db2.gz ITOCZEMXNRKYQT-UHFFFAOYSA-N 1 1 334.376 0.984 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC(OCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000330728774 437599507 /nfs/dbraw/zinc/59/95/07/437599507.db2.gz HDOJMECPBFVKOC-UHFFFAOYSA-N 1 1 325.369 0.809 20 5 ECBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000360433451 437602170 /nfs/dbraw/zinc/60/21/70/437602170.db2.gz KMCDADRDCCFGBG-LBPRGKRZSA-N 1 1 346.343 0.888 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc(C[NH+]2CCCC2)on1 ZINC000291605532 437611389 /nfs/dbraw/zinc/61/13/89/437611389.db2.gz CJVOLZWEPFMWQG-UHFFFAOYSA-N 1 1 334.336 0.805 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH+](C2CCCC2)CC1 ZINC000332417694 297039118 /nfs/dbraw/zinc/03/91/18/297039118.db2.gz VJOSEHPCTBVACO-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332465589 297042017 /nfs/dbraw/zinc/04/20/17/297042017.db2.gz RTPFVVYGLZPMEO-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332465589 297042018 /nfs/dbraw/zinc/04/20/18/297042018.db2.gz RTPFVVYGLZPMEO-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)[NH+]1C ZINC000338784534 297295503 /nfs/dbraw/zinc/29/55/03/297295503.db2.gz LBFYAUSPSOTRPY-UWVGGRQHSA-N 1 1 328.394 0.771 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000345715279 298186705 /nfs/dbraw/zinc/18/67/05/298186705.db2.gz KBETZDWEUCHGNF-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000345715279 298186707 /nfs/dbraw/zinc/18/67/07/298186707.db2.gz KBETZDWEUCHGNF-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588427 300109006 /nfs/dbraw/zinc/10/90/06/300109006.db2.gz RSBFUKOIYUVQJX-DUVNUKRYSA-N 1 1 340.376 0.806 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180305 300167636 /nfs/dbraw/zinc/16/76/36/300167636.db2.gz IFCJDJVTBZJBMG-VNHYZAJKSA-N 1 1 325.413 0.957 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180305 300167639 /nfs/dbraw/zinc/16/76/39/300167639.db2.gz IFCJDJVTBZJBMG-VNHYZAJKSA-N 1 1 325.413 0.957 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180303 300167824 /nfs/dbraw/zinc/16/78/24/300167824.db2.gz IFCJDJVTBZJBMG-IPYPFGDCSA-N 1 1 325.413 0.957 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000362180303 300167826 /nfs/dbraw/zinc/16/78/26/300167826.db2.gz IFCJDJVTBZJBMG-IPYPFGDCSA-N 1 1 325.413 0.957 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000363639009 300282549 /nfs/dbraw/zinc/28/25/49/300282549.db2.gz VBFVGSARVDRAHC-CYBMUJFWSA-N 1 1 336.396 0.030 20 5 ECBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)c2c(c1)COCO2 ZINC000375237633 301162184 /nfs/dbraw/zinc/16/21/84/301162184.db2.gz ONYPLGORCFYWOP-OAHLLOKOSA-N 1 1 335.360 0.978 20 5 ECBDMO O=[N+]([O-])c1cc(C[N@H+]2CCN3CCOC[C@H]3C2)c2c(c1)COCO2 ZINC000375237633 301162186 /nfs/dbraw/zinc/16/21/86/301162186.db2.gz ONYPLGORCFYWOP-OAHLLOKOSA-N 1 1 335.360 0.978 20 5 ECBDMO NC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(F)(F)F ZINC000375514714 301183198 /nfs/dbraw/zinc/18/31/98/301183198.db2.gz ZKKFOSVUOJCNQB-NXEZZACHSA-N 1 1 348.281 0.352 20 5 ECBDMO CC(C)C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000043285736 436329130 /nfs/dbraw/zinc/32/91/30/436329130.db2.gz DVVXKALOAFUFTN-ZDUSSCGKSA-N 1 1 339.396 0.654 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083246549 436369776 /nfs/dbraw/zinc/36/97/76/436369776.db2.gz YXONREHDTBSGAQ-HNNXBMFYSA-N 1 1 339.392 0.728 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083246549 436369779 /nfs/dbraw/zinc/36/97/79/436369779.db2.gz YXONREHDTBSGAQ-HNNXBMFYSA-N 1 1 339.392 0.728 20 5 ECBDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)c1 ZINC000048245042 436445087 /nfs/dbraw/zinc/44/50/87/436445087.db2.gz KSYQJJIIQQOKNH-UHFFFAOYSA-N 1 1 344.375 0.839 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000048321531 436449114 /nfs/dbraw/zinc/44/91/14/436449114.db2.gz JPZGLWUYSQIFEC-UHFFFAOYSA-N 1 1 344.375 0.751 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000048317206 436450053 /nfs/dbraw/zinc/45/00/53/436450053.db2.gz DBSSQULMUXUEPR-QWRGUYRKSA-N 1 1 340.384 0.190 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000051181291 436485741 /nfs/dbraw/zinc/48/57/41/436485741.db2.gz RJQSFUHHEPNKEO-VXGBXAGGSA-N 1 1 339.396 0.795 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000536986198 302147148 /nfs/dbraw/zinc/14/71/48/302147148.db2.gz UPAAKPDTLPGTDT-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO C[C@@H]1CN(CC[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195311087 436687547 /nfs/dbraw/zinc/68/75/47/436687547.db2.gz FCYLWOCKOWEGMG-GUTXKFCHSA-N 1 1 341.412 0.193 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000068370107 436742420 /nfs/dbraw/zinc/74/24/20/436742420.db2.gz RMWWMQQYIGYWGZ-GFCCVEGCSA-N 1 1 336.348 0.882 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000068397712 436743826 /nfs/dbraw/zinc/74/38/26/436743826.db2.gz RTJXDPYEMOPWNQ-UHFFFAOYSA-N 1 1 325.369 0.723 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CC2CC2)CC1 ZINC000127799880 436807127 /nfs/dbraw/zinc/80/71/27/436807127.db2.gz SXASIPXUKLMCIZ-UHFFFAOYSA-N 1 1 340.405 0.774 20 5 ECBDMO C[N@@H+]1CC=C(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000273925500 436788057 /nfs/dbraw/zinc/78/80/57/436788057.db2.gz JYXCISBUOHEBPC-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126685362 436789829 /nfs/dbraw/zinc/78/98/29/436789829.db2.gz YQHXILRHLQBCGW-GWCFXTLKSA-N 1 1 339.396 0.634 20 5 ECBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126685362 436789831 /nfs/dbraw/zinc/78/98/31/436789831.db2.gz YQHXILRHLQBCGW-GWCFXTLKSA-N 1 1 339.396 0.634 20 5 ECBDMO COC(=O)[C@@H](C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247562289 436796168 /nfs/dbraw/zinc/79/61/68/436796168.db2.gz QXYCOHIGUSBUHN-GXFFZTMASA-N 1 1 326.353 0.426 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000247941367 436798478 /nfs/dbraw/zinc/79/84/78/436798478.db2.gz ABVCROSHFKNFAQ-ZFWWWQNUSA-N 1 1 337.376 0.887 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000074105952 302645209 /nfs/dbraw/zinc/64/52/09/302645209.db2.gz YDIBRKCVENEQDJ-NSHDSACASA-N 1 1 325.369 0.327 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274589338 436848175 /nfs/dbraw/zinc/84/81/75/436848175.db2.gz HHDWZKFNEOISNO-WDEREUQCSA-N 1 1 339.348 0.360 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249546006 436822854 /nfs/dbraw/zinc/82/28/54/436822854.db2.gz GHBPVPLZJMMLEG-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249546006 436822857 /nfs/dbraw/zinc/82/28/57/436822857.db2.gz GHBPVPLZJMMLEG-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280724149 436916444 /nfs/dbraw/zinc/91/64/44/436916444.db2.gz IDZNKBXETHJAIR-CJNGLKHVSA-N 1 1 337.376 0.793 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134196798 436892812 /nfs/dbraw/zinc/89/28/12/436892812.db2.gz MGKKNHUOVQLWPX-SNVBAGLBSA-N 1 1 325.369 0.335 20 5 ECBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956664 436899436 /nfs/dbraw/zinc/89/94/36/436899436.db2.gz IATRCJZCMOTALA-RTXFEEFZSA-N 1 1 326.353 0.426 20 5 ECBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956664 436899439 /nfs/dbraw/zinc/89/94/39/436899439.db2.gz IATRCJZCMOTALA-RTXFEEFZSA-N 1 1 326.353 0.426 20 5 ECBDMO C[C@H]1OCC[NH2+][C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262092668 436906882 /nfs/dbraw/zinc/90/68/82/436906882.db2.gz DCBVCHXWXIYIRU-DOMZBBRYSA-N 1 1 334.376 0.620 20 5 ECBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1C[N@H+](C)CCO1 ZINC000134988263 436907829 /nfs/dbraw/zinc/90/78/29/436907829.db2.gz UBIMOBDTVDFQET-UFBFGSQYSA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000134988263 436907833 /nfs/dbraw/zinc/90/78/33/436907833.db2.gz UBIMOBDTVDFQET-UFBFGSQYSA-N 1 1 326.328 0.765 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486336 436908208 /nfs/dbraw/zinc/90/82/08/436908208.db2.gz WPDMJGPWBSYOLG-AWEZNQCLSA-N 1 1 336.396 0.030 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280638136 436910265 /nfs/dbraw/zinc/91/02/65/436910265.db2.gz XYVKOUGHJQNWQK-HUUCEWRRSA-N 1 1 347.375 0.701 20 5 ECBDMO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275440038 436968358 /nfs/dbraw/zinc/96/83/58/436968358.db2.gz BSNBQNNHXNATIE-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275440038 436968362 /nfs/dbraw/zinc/96/83/62/436968362.db2.gz BSNBQNNHXNATIE-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275623227 436992808 /nfs/dbraw/zinc/99/28/08/436992808.db2.gz ITABKKXUFOBBOD-LLVKDONJSA-N 1 1 329.378 0.594 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275623227 436992810 /nfs/dbraw/zinc/99/28/10/436992810.db2.gz ITABKKXUFOBBOD-LLVKDONJSA-N 1 1 329.378 0.594 20 5 ECBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298475114 437039798 /nfs/dbraw/zinc/03/97/98/437039798.db2.gz RQEALQYZINNYIS-UHFFFAOYSA-N 1 1 336.396 0.528 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000173427534 437050939 /nfs/dbraw/zinc/05/09/39/437050939.db2.gz KHKQRWQELGYIPA-UHFFFAOYSA-N 1 1 331.394 0.841 20 5 ECBDMO C[N@@H+](CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1CC1 ZINC000299388035 437073703 /nfs/dbraw/zinc/07/37/03/437073703.db2.gz QUUVRPYRNIWPTC-UHFFFAOYSA-N 1 1 346.343 0.401 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000299434427 437077556 /nfs/dbraw/zinc/07/75/56/437077556.db2.gz GQBODUHKPBTGAW-UHFFFAOYSA-N 1 1 337.380 0.811 20 5 ECBDMO CC[N@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000175317886 437100372 /nfs/dbraw/zinc/10/03/72/437100372.db2.gz AWCHDXRYDHXFSF-LBPRGKRZSA-N 1 1 334.376 0.783 20 5 ECBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695894 437162122 /nfs/dbraw/zinc/16/21/22/437162122.db2.gz RWHZIGKHXSBAMQ-UKRRQHHQSA-N 1 1 348.407 0.840 20 5 ECBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331813568 437163356 /nfs/dbraw/zinc/16/33/56/437163356.db2.gz UFERLKUWTXWLHP-LLVKDONJSA-N 1 1 333.352 0.809 20 5 ECBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331813574 437163747 /nfs/dbraw/zinc/16/37/47/437163747.db2.gz UFERLKUWTXWLHP-NSHDSACASA-N 1 1 333.352 0.809 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276494033 437115550 /nfs/dbraw/zinc/11/55/50/437115550.db2.gz WATPCVRXCNQHKH-OAHLLOKOSA-N 1 1 336.348 0.154 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)C1CC1 ZINC000312731843 437173100 /nfs/dbraw/zinc/17/31/00/437173100.db2.gz STEBHRJFYJLKQN-SNVBAGLBSA-N 1 1 346.181 0.974 20 5 ECBDMO CC(=O)N1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000182217459 437341851 /nfs/dbraw/zinc/34/18/51/437341851.db2.gz OVPNUWALSAMZSI-CYBMUJFWSA-N 1 1 325.369 0.095 20 5 ECBDMO CC(=O)N1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000182217459 437341853 /nfs/dbraw/zinc/34/18/53/437341853.db2.gz OVPNUWALSAMZSI-CYBMUJFWSA-N 1 1 325.369 0.095 20 5 ECBDMO CC(C)[C@](C)([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000289353265 437402944 /nfs/dbraw/zinc/40/29/44/437402944.db2.gz NEYBQNJOJHUCFK-AWEZNQCLSA-N 1 1 343.405 0.858 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1COC[C@@H]1OC ZINC000290150017 437465619 /nfs/dbraw/zinc/46/56/19/437465619.db2.gz NLOXAOJWESMAPU-LQJRIPTKSA-N 1 1 339.348 0.934 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330459418 437516849 /nfs/dbraw/zinc/51/68/49/437516849.db2.gz UDCAPLDNQWKFRZ-LLVKDONJSA-N 1 1 345.425 0.821 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000330455988 437517717 /nfs/dbraw/zinc/51/77/17/437517717.db2.gz OQZAKESSIROMCO-JTQLQIEISA-N 1 1 331.398 0.383 20 5 ECBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330675930 437587031 /nfs/dbraw/zinc/58/70/31/437587031.db2.gz SUSLZRMYTJPFLD-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000330675930 437587035 /nfs/dbraw/zinc/58/70/35/437587035.db2.gz SUSLZRMYTJPFLD-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000340316562 437626133 /nfs/dbraw/zinc/62/61/33/437626133.db2.gz UCNCTPCVETZTOS-UHFFFAOYSA-N 1 1 325.369 0.097 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)n1 ZINC000191803379 437654662 /nfs/dbraw/zinc/65/46/62/437654662.db2.gz GBKGUVDBXGWNRV-NSHDSACASA-N 1 1 325.369 0.652 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000331082177 437684605 /nfs/dbraw/zinc/68/46/05/437684605.db2.gz YALMDNMZBUVLJS-GHMZBOCLSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)n1 ZINC000331082177 437684609 /nfs/dbraw/zinc/68/46/09/437684609.db2.gz YALMDNMZBUVLJS-GHMZBOCLSA-N 1 1 325.369 0.338 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000340987225 437768711 /nfs/dbraw/zinc/76/87/11/437768711.db2.gz OQTAOZGORKSHMT-CYBMUJFWSA-N 1 1 332.360 0.890 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000340987225 437768715 /nfs/dbraw/zinc/76/87/15/437768715.db2.gz OQTAOZGORKSHMT-CYBMUJFWSA-N 1 1 332.360 0.890 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370709717 437821116 /nfs/dbraw/zinc/82/11/16/437821116.db2.gz UHCNMLRSRXTXQU-CFVMTHIKSA-N 1 1 348.407 0.917 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1Cc1ccccc1 ZINC000357185557 437929620 /nfs/dbraw/zinc/92/96/20/437929620.db2.gz IUAMPCSMPROJFG-CQSZACIVSA-N 1 1 344.375 0.572 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1Cc1ccccc1 ZINC000357185557 437929623 /nfs/dbraw/zinc/92/96/23/437929623.db2.gz IUAMPCSMPROJFG-CQSZACIVSA-N 1 1 344.375 0.572 20 5 ECBDMO Cc1nc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365274251 437885924 /nfs/dbraw/zinc/88/59/24/437885924.db2.gz ARUCBJXUIQAEBV-DGCLKSJQSA-N 1 1 336.352 0.723 20 5 ECBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416289939 437904266 /nfs/dbraw/zinc/90/42/66/437904266.db2.gz GCTMMSFWCSEOMB-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416289939 437904271 /nfs/dbraw/zinc/90/42/71/437904271.db2.gz GCTMMSFWCSEOMB-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO COc1ccc(OCC[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000357389610 437975966 /nfs/dbraw/zinc/97/59/66/437975966.db2.gz LBOIZCZLJORRER-NSHDSACASA-N 1 1 345.377 0.345 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000357389610 437975969 /nfs/dbraw/zinc/97/59/69/437975969.db2.gz LBOIZCZLJORRER-NSHDSACASA-N 1 1 345.377 0.345 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000425273689 438021630 /nfs/dbraw/zinc/02/16/30/438021630.db2.gz BYZRQLIQLMZKEH-UHFFFAOYSA-N 1 1 337.380 0.636 20 5 ECBDMO COc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304547 438049741 /nfs/dbraw/zinc/04/97/41/438049741.db2.gz AIWRXGOKDANJQJ-UWVGGRQHSA-N 1 1 337.307 0.837 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304547 438049744 /nfs/dbraw/zinc/04/97/44/438049744.db2.gz AIWRXGOKDANJQJ-UWVGGRQHSA-N 1 1 337.307 0.837 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000424989500 438003894 /nfs/dbraw/zinc/00/38/94/438003894.db2.gz IMNXPKOHFVQABE-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401609 438065687 /nfs/dbraw/zinc/06/56/87/438065687.db2.gz AEIMVXCMHPDUKT-STQMWFEESA-N 1 1 346.343 0.152 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401609 438065692 /nfs/dbraw/zinc/06/56/92/438065692.db2.gz AEIMVXCMHPDUKT-STQMWFEESA-N 1 1 346.343 0.152 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000357943330 438105916 /nfs/dbraw/zinc/10/59/16/438105916.db2.gz KZPGRFVHQPPOON-NSHDSACASA-N 1 1 325.369 0.295 20 5 ECBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098408 438129775 /nfs/dbraw/zinc/12/97/75/438129775.db2.gz JFHASZZSLWVSTO-GFCCVEGCSA-N 1 1 349.391 0.594 20 5 ECBDMO COc1cc(OCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358061761 438136861 /nfs/dbraw/zinc/13/68/61/438136861.db2.gz HCYOXYWQNZOTJH-HNNXBMFYSA-N 1 1 339.348 0.165 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358200082 438181178 /nfs/dbraw/zinc/18/11/78/438181178.db2.gz PCAMNHAQVTVVAN-GFCCVEGCSA-N 1 1 333.341 0.079 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374829934 438232225 /nfs/dbraw/zinc/23/22/25/438232225.db2.gz PVELPOWZSUUFBO-VHSXEESVSA-N 1 1 338.339 0.909 20 5 ECBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000351499578 438272257 /nfs/dbraw/zinc/27/22/57/438272257.db2.gz DSOCNSQJLBUXDP-LBPRGKRZSA-N 1 1 336.323 0.979 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000368622221 438354176 /nfs/dbraw/zinc/35/41/76/438354176.db2.gz LYEMSZSDQLBYPA-GFCCVEGCSA-N 1 1 349.391 0.756 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000368711620 438371564 /nfs/dbraw/zinc/37/15/64/438371564.db2.gz GNXRLMNEQDOSHA-UHFFFAOYSA-N 1 1 336.392 0.977 20 5 ECBDMO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000407989877 438479889 /nfs/dbraw/zinc/47/98/89/438479889.db2.gz IUJSAUQWOOIGRN-QWRGUYRKSA-N 1 1 343.409 0.668 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000438655960 438482967 /nfs/dbraw/zinc/48/29/67/438482967.db2.gz LYCQOTAZTKCJAE-GFCCVEGCSA-N 1 1 325.390 0.994 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCSC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000438655960 438482970 /nfs/dbraw/zinc/48/29/70/438482970.db2.gz LYCQOTAZTKCJAE-GFCCVEGCSA-N 1 1 325.390 0.994 20 5 ECBDMO C[C@H](O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979432 438457408 /nfs/dbraw/zinc/45/74/08/438457408.db2.gz YTXVETGJMOSEGH-NSHDSACASA-N 1 1 331.394 0.576 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408108013 438513585 /nfs/dbraw/zinc/51/35/85/438513585.db2.gz QMIDJOAYOOTCEO-SNVBAGLBSA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408108013 438513587 /nfs/dbraw/zinc/51/35/87/438513587.db2.gz QMIDJOAYOOTCEO-SNVBAGLBSA-N 1 1 337.380 0.952 20 5 ECBDMO C[C@H](C[C@H](C)[NH3+])NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422943863 438618212 /nfs/dbraw/zinc/61/82/12/438618212.db2.gz YUIXSBFIFFJUCW-WDEREUQCSA-N 1 1 330.410 0.589 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000452104680 438640077 /nfs/dbraw/zinc/64/00/77/438640077.db2.gz MTRLXNJJPISRDM-LLVKDONJSA-N 1 1 345.425 0.914 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548713361 438732333 /nfs/dbraw/zinc/73/23/33/438732333.db2.gz HVAVVXPXIMOSKM-LLVKDONJSA-N 1 1 337.380 0.659 20 5 ECBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000575037890 438733839 /nfs/dbraw/zinc/73/38/39/438733839.db2.gz KGCLTGUUXRIMPK-LLVKDONJSA-N 1 1 338.389 0.693 20 5 ECBDMO CNc1nc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000456027406 438756307 /nfs/dbraw/zinc/75/63/07/438756307.db2.gz GSNJHIJZBNFKAN-LLVKDONJSA-N 1 1 337.380 0.608 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000494805793 438710039 /nfs/dbraw/zinc/71/00/39/438710039.db2.gz ADCMTCOHLPWTAL-GFCCVEGCSA-N 1 1 333.348 0.898 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456028866 438756776 /nfs/dbraw/zinc/75/67/76/438756776.db2.gz TUBWWIHCRUXXGM-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456028866 438756777 /nfs/dbraw/zinc/75/67/77/438756777.db2.gz TUBWWIHCRUXXGM-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 ECBDMO Cn1c2cc(NC[C@@H]3C[N@@H+](C)CCN3C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587975203 438811994 /nfs/dbraw/zinc/81/19/94/438811994.db2.gz NAEUXRUAKJNCLC-LLVKDONJSA-N 1 1 348.407 0.443 20 5 ECBDMO COC(=O)C1([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CCC1 ZINC000595538907 438818781 /nfs/dbraw/zinc/81/87/81/438818781.db2.gz WQSJEZZZCLTPPU-CYBMUJFWSA-N 1 1 338.364 0.712 20 5 ECBDMO COC(=O)C1([N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CCC1 ZINC000595538907 438818788 /nfs/dbraw/zinc/81/87/88/438818788.db2.gz WQSJEZZZCLTPPU-CYBMUJFWSA-N 1 1 338.364 0.712 20 5 ECBDMO C[N@H+]1CC[C@@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000577378908 438837026 /nfs/dbraw/zinc/83/70/26/438837026.db2.gz FGQFUZBYTUAGLL-LLVKDONJSA-N 1 1 344.375 1.018 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000590392176 438918077 /nfs/dbraw/zinc/91/80/77/438918077.db2.gz CDIXWORIAMTDPJ-UHFFFAOYSA-N 1 1 335.360 0.764 20 5 ECBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402415 438918494 /nfs/dbraw/zinc/91/84/94/438918494.db2.gz TUAKHAIBMJYVSS-KBPBESRZSA-N 1 1 337.380 0.503 20 5 ECBDMO NS(=O)(=O)c1c(N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000596090892 438925200 /nfs/dbraw/zinc/92/52/00/438925200.db2.gz RQGBERCGSZINBV-VIFPVBQESA-N 1 1 326.378 0.891 20 5 ECBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000596223469 438943922 /nfs/dbraw/zinc/94/39/22/438943922.db2.gz QZNDLOSXSRBESQ-NSHDSACASA-N 1 1 336.392 0.975 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000590564015 438932590 /nfs/dbraw/zinc/93/25/90/438932590.db2.gz BSXKNDJKDYPTGY-QWHCGFSZSA-N 1 1 337.380 0.421 20 5 ECBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232373 438945199 /nfs/dbraw/zinc/94/51/99/438945199.db2.gz QLUJNCGEIAISLG-DGCLKSJQSA-N 1 1 334.376 0.993 20 5 ECBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000596282331 438951839 /nfs/dbraw/zinc/95/18/39/438951839.db2.gz VZCVJASRLZWERJ-GXFFZTMASA-N 1 1 340.405 0.773 20 5 ECBDMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380584 438963876 /nfs/dbraw/zinc/96/38/76/438963876.db2.gz QKLWICGCVRZIRV-WDEREUQCSA-N 1 1 348.363 0.416 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000517403912 438966048 /nfs/dbraw/zinc/96/60/48/438966048.db2.gz JJEUDYULPOCPNW-CYBMUJFWSA-N 1 1 337.376 0.983 20 5 ECBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537168 438974364 /nfs/dbraw/zinc/97/43/64/438974364.db2.gz BNHPJGPBTJSMPX-LBPRGKRZSA-N 1 1 334.376 0.729 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596817898 439004371 /nfs/dbraw/zinc/00/43/71/439004371.db2.gz UZSICVVEYXPLNY-GFCCVEGCSA-N 1 1 335.364 0.475 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC000591746351 439080296 /nfs/dbraw/zinc/08/02/96/439080296.db2.gz DDIUSNNPRQBWGM-NSHDSACASA-N 1 1 334.336 0.446 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000566761044 439085761 /nfs/dbraw/zinc/08/57/61/439085761.db2.gz CEDWGOMBHBZVOI-DOMZBBRYSA-N 1 1 337.376 0.907 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621854 439119097 /nfs/dbraw/zinc/11/90/97/439119097.db2.gz SRBLQARGWLSTRY-RYUDHWBXSA-N 1 1 326.353 0.871 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621854 439119099 /nfs/dbraw/zinc/11/90/99/439119099.db2.gz SRBLQARGWLSTRY-RYUDHWBXSA-N 1 1 326.353 0.871 20 5 ECBDMO COc1ccc(CC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597624435 439140349 /nfs/dbraw/zinc/14/03/49/439140349.db2.gz IWTDUBIKLFSOLK-AWEZNQCLSA-N 1 1 348.403 0.652 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000602837991 439142514 /nfs/dbraw/zinc/14/25/14/439142514.db2.gz QXQICCFKGWRMJC-LBPRGKRZSA-N 1 1 329.364 0.891 20 5 ECBDMO CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873259 439150472 /nfs/dbraw/zinc/15/04/72/439150472.db2.gz IFYBQYYCDACHKW-ZIAGYGMSSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873259 439150475 /nfs/dbraw/zinc/15/04/75/439150475.db2.gz IFYBQYYCDACHKW-ZIAGYGMSSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873259 439150482 /nfs/dbraw/zinc/15/04/82/439150482.db2.gz IFYBQYYCDACHKW-ZIAGYGMSSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)(C(=O)N1CC(C[NH+]2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000597682473 439157913 /nfs/dbraw/zinc/15/79/13/439157913.db2.gz PJBNVYOEMIRWNH-UHFFFAOYSA-N 1 1 337.380 0.317 20 5 ECBDMO CCN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597943986 439201356 /nfs/dbraw/zinc/20/13/56/439201356.db2.gz BJFZAYQQUBZYPX-CQSZACIVSA-N 1 1 334.376 0.877 20 5 ECBDMO CCC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000525783028 439215845 /nfs/dbraw/zinc/21/58/45/439215845.db2.gz VBFPZYDSRJFIGL-ZDUSSCGKSA-N 1 1 325.369 0.097 20 5 ECBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592388160 439218578 /nfs/dbraw/zinc/21/85/78/439218578.db2.gz BGIOVDMUQKBPOR-GFCCVEGCSA-N 1 1 343.361 0.120 20 5 ECBDMO O=C(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878610 439259166 /nfs/dbraw/zinc/25/91/66/439259166.db2.gz SINDLFOWYHRZDJ-STQMWFEESA-N 1 1 336.396 0.296 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(O)(C(N)=O)CC2)c1 ZINC000593029286 439331519 /nfs/dbraw/zinc/33/15/19/439331519.db2.gz ASVFGUMKCDQXSR-UHFFFAOYSA-N 1 1 337.332 0.194 20 5 ECBDMO Cn1c[nH+]cc1CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598610526 439286265 /nfs/dbraw/zinc/28/62/65/439286265.db2.gz HCWKUSIUVVGDRL-UHFFFAOYSA-N 1 1 333.352 0.610 20 5 ECBDMO COCC[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101675 439343428 /nfs/dbraw/zinc/34/34/28/439343428.db2.gz RFVACACHJLRDTQ-CQSZACIVSA-N 1 1 341.412 0.195 20 5 ECBDMO COCCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101675 439343435 /nfs/dbraw/zinc/34/34/35/439343435.db2.gz RFVACACHJLRDTQ-CQSZACIVSA-N 1 1 341.412 0.195 20 5 ECBDMO COCCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101675 439343439 /nfs/dbraw/zinc/34/34/39/439343439.db2.gz RFVACACHJLRDTQ-CQSZACIVSA-N 1 1 341.412 0.195 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593595128 439417632 /nfs/dbraw/zinc/41/76/32/439417632.db2.gz BWVWHPZOUMWKGZ-UHFFFAOYSA-N 1 1 345.425 0.152 20 5 ECBDMO CN(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC[NH+](C)C ZINC000593595128 439417635 /nfs/dbraw/zinc/41/76/35/439417635.db2.gz BWVWHPZOUMWKGZ-UHFFFAOYSA-N 1 1 345.425 0.152 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)n1 ZINC000599312907 439428544 /nfs/dbraw/zinc/42/85/44/439428544.db2.gz YTOSRNHGTFVQRY-GFCCVEGCSA-N 1 1 329.382 0.045 20 5 ECBDMO COC(=O)[C@]1(OC)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599562607 439506859 /nfs/dbraw/zinc/50/68/59/439506859.db2.gz GRQXACIRGKEKPY-AWEZNQCLSA-N 1 1 325.321 0.020 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599623777 439523077 /nfs/dbraw/zinc/52/30/77/439523077.db2.gz WWVAARAOLHJFQD-UHFFFAOYSA-N 1 1 334.376 0.765 20 5 ECBDMO CC(=O)NCC(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599623777 439523081 /nfs/dbraw/zinc/52/30/81/439523081.db2.gz WWVAARAOLHJFQD-UHFFFAOYSA-N 1 1 334.376 0.765 20 5 ECBDMO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705612 439540313 /nfs/dbraw/zinc/54/03/13/439540313.db2.gz XQXKEVLCQCXFGK-TZMCWYRMSA-N 1 1 325.369 0.143 20 5 ECBDMO Cn1c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC000608861429 439548462 /nfs/dbraw/zinc/54/84/62/439548462.db2.gz VKHHXOTUCVXXEE-LBPRGKRZSA-N 1 1 349.391 0.488 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000572131503 439559289 /nfs/dbraw/zinc/55/92/89/439559289.db2.gz DZMWWYRZFPQFLD-OAHLLOKOSA-N 1 1 348.403 0.990 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000572131503 439559293 /nfs/dbraw/zinc/55/92/93/439559293.db2.gz DZMWWYRZFPQFLD-OAHLLOKOSA-N 1 1 348.403 0.990 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000609306887 439563373 /nfs/dbraw/zinc/56/33/73/439563373.db2.gz IOORVTAFEGLVDD-GFCCVEGCSA-N 1 1 335.364 0.477 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571503 439578475 /nfs/dbraw/zinc/57/84/75/439578475.db2.gz BHJLQKFYJZHKMG-LBPRGKRZSA-N 1 1 335.408 0.832 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571503 439578480 /nfs/dbraw/zinc/57/84/80/439578480.db2.gz BHJLQKFYJZHKMG-LBPRGKRZSA-N 1 1 335.408 0.832 20 5 ECBDMO COc1cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000594613704 439582073 /nfs/dbraw/zinc/58/20/73/439582073.db2.gz QWBJDAXEMKXNIB-QWHCGFSZSA-N 1 1 337.376 0.863 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664905 439583408 /nfs/dbraw/zinc/58/34/08/439583408.db2.gz MPJBIYJEQBRXSG-LBPRGKRZSA-N 1 1 336.396 0.478 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664905 439583413 /nfs/dbraw/zinc/58/34/13/439583413.db2.gz MPJBIYJEQBRXSG-LBPRGKRZSA-N 1 1 336.396 0.478 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664905 439583418 /nfs/dbraw/zinc/58/34/18/439583418.db2.gz MPJBIYJEQBRXSG-LBPRGKRZSA-N 1 1 336.396 0.478 20 5 ECBDMO CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762662 439604052 /nfs/dbraw/zinc/60/40/52/439604052.db2.gz JSNUXJRYHPOARZ-LLVKDONJSA-N 1 1 346.409 0.625 20 5 ECBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594759748 439604239 /nfs/dbraw/zinc/60/42/39/439604239.db2.gz VUNVUGFYBAGLPM-LLVKDONJSA-N 1 1 328.394 0.952 20 5 ECBDMO COc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900725 439656428 /nfs/dbraw/zinc/65/64/28/439656428.db2.gz IYMTVVZNXDAJOM-NHYWBVRUSA-N 1 1 337.376 0.981 20 5 ECBDMO COc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900725 439656431 /nfs/dbraw/zinc/65/64/31/439656431.db2.gz IYMTVVZNXDAJOM-NHYWBVRUSA-N 1 1 337.376 0.981 20 5 ECBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600532950 439675363 /nfs/dbraw/zinc/67/53/63/439675363.db2.gz IUTOBMVXLRPTNW-CQSZACIVSA-N 1 1 335.360 0.741 20 5 ECBDMO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600532950 439675368 /nfs/dbraw/zinc/67/53/68/439675368.db2.gz IUTOBMVXLRPTNW-CQSZACIVSA-N 1 1 335.360 0.741 20 5 ECBDMO Cn1cc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000611276856 439686984 /nfs/dbraw/zinc/68/69/84/439686984.db2.gz XWXLIKDJIMHPTJ-GASCZTMLSA-N 1 1 332.360 0.923 20 5 ECBDMO CC1(C)CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614924028 439790702 /nfs/dbraw/zinc/79/07/02/439790702.db2.gz YZYZVUOYHBZNDT-UHFFFAOYSA-N 1 1 336.392 0.582 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330489586 320829862 /nfs/dbraw/zinc/82/98/62/320829862.db2.gz MARORIOYAPDHAK-LBPRGKRZSA-N 1 1 339.396 0.442 20 5 ECBDMO CC(C)(C(=O)NCC[NH+]1CCSCC1)n1cc([N+](=O)[O-])cn1 ZINC000330734273 320856616 /nfs/dbraw/zinc/85/66/16/320856616.db2.gz UOIWBFFDJYUSLU-UHFFFAOYSA-N 1 1 327.410 0.691 20 5 ECBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000344724573 321161354 /nfs/dbraw/zinc/16/13/54/321161354.db2.gz TXVIDKPMGJKSAV-CYBMUJFWSA-N 1 1 336.392 0.993 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000345365899 321184337 /nfs/dbraw/zinc/18/43/37/321184337.db2.gz SQGVNAFFWUGZIY-UHFFFAOYSA-N 1 1 325.413 0.889 20 5 ECBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])n1C)CC[NH+](C)C ZINC000345365899 321184338 /nfs/dbraw/zinc/18/43/38/321184338.db2.gz SQGVNAFFWUGZIY-UHFFFAOYSA-N 1 1 325.413 0.889 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639296 321283922 /nfs/dbraw/zinc/28/39/22/321283922.db2.gz CVEVWSLSUMIKFL-CHWSQXEVSA-N 1 1 340.332 0.338 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1[N+](=O)[O-] ZINC000348639296 321283924 /nfs/dbraw/zinc/28/39/24/321283924.db2.gz CVEVWSLSUMIKFL-CHWSQXEVSA-N 1 1 340.332 0.338 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1-c1nc(CC(=O)N2CC[NH+](C)CC2)no1 ZINC000350714804 321327765 /nfs/dbraw/zinc/32/77/65/321327765.db2.gz XBLVZDLGTXCUGZ-UHFFFAOYSA-N 1 1 334.336 0.300 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352801784 321373237 /nfs/dbraw/zinc/37/32/37/321373237.db2.gz KMNBAKNUZUYWCI-QWHCGFSZSA-N 1 1 339.348 0.624 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000545885189 322111458 /nfs/dbraw/zinc/11/14/58/322111458.db2.gz PQNJVLHXLCUILC-HNNXBMFYSA-N 1 1 338.364 0.339 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](Cc2ccncc2)CC1 ZINC000153157091 534320354 /nfs/dbraw/zinc/32/03/54/534320354.db2.gz VFURCWDXUWGHCX-UHFFFAOYSA-N 1 1 343.387 0.969 20 5 ECBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181940050 534361133 /nfs/dbraw/zinc/36/11/33/534361133.db2.gz HBRAQHCPSXDJSP-CHWSQXEVSA-N 1 1 337.376 0.922 20 5 ECBDMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181544907 527938054 /nfs/dbraw/zinc/93/80/54/527938054.db2.gz FCISNAAMSXPKPD-GFCCVEGCSA-N 1 1 325.365 0.778 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000184340725 528551711 /nfs/dbraw/zinc/55/17/11/528551711.db2.gz QGCHQIQLOBIWCV-UHFFFAOYSA-N 1 1 331.394 0.328 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCNC(=O)C1 ZINC000726791696 578147789 /nfs/dbraw/zinc/14/77/89/578147789.db2.gz GVRRILXMMBFZPM-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCNC(=O)C1 ZINC000726791696 578147790 /nfs/dbraw/zinc/14/77/90/578147790.db2.gz GVRRILXMMBFZPM-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO COCC[N@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737008967 578473217 /nfs/dbraw/zinc/47/32/17/578473217.db2.gz XIPBYZXNYWEGIR-JTQLQIEISA-N 1 1 348.367 0.693 20 5 ECBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794785007 578600071 /nfs/dbraw/zinc/60/00/71/578600071.db2.gz JAGPDBDTPMREGE-KBPBESRZSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794785007 578600072 /nfs/dbraw/zinc/60/00/72/578600072.db2.gz JAGPDBDTPMREGE-KBPBESRZSA-N 1 1 343.405 0.594 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cs1 ZINC000768833981 579132866 /nfs/dbraw/zinc/13/28/66/579132866.db2.gz JFNRIKKVYVOUGQ-NXEZZACHSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cs1 ZINC000768833981 579132868 /nfs/dbraw/zinc/13/28/68/579132868.db2.gz JFNRIKKVYVOUGQ-NXEZZACHSA-N 1 1 347.418 0.798 20 5 ECBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000776585699 579285007 /nfs/dbraw/zinc/28/50/07/579285007.db2.gz ZIWWOGACJXBAAR-RISCZKNCSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000776585699 579285008 /nfs/dbraw/zinc/28/50/08/579285008.db2.gz ZIWWOGACJXBAAR-RISCZKNCSA-N 1 1 328.390 0.995 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597540 579285809 /nfs/dbraw/zinc/28/58/09/579285809.db2.gz ICXFNQPWHIKQSD-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597540 579285810 /nfs/dbraw/zinc/28/58/10/579285810.db2.gz ICXFNQPWHIKQSD-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000762555952 579543988 /nfs/dbraw/zinc/54/39/88/579543988.db2.gz SEGXZXRKSOPUNR-GFCCVEGCSA-N 1 1 349.796 0.593 20 5 ECBDMO CNC(=O)c1ccc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000744171032 579806918 /nfs/dbraw/zinc/80/69/18/579806918.db2.gz ZWEMUMZWJBUJTK-UHFFFAOYSA-N 1 1 335.364 0.140 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000836865276 588936989 /nfs/dbraw/zinc/93/69/89/588936989.db2.gz XPFCDXRXRFCBNG-ZOWXZIJZSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000836865276 588936990 /nfs/dbraw/zinc/93/69/90/588936990.db2.gz XPFCDXRXRFCBNG-ZOWXZIJZSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000841456187 588988621 /nfs/dbraw/zinc/98/86/21/588988621.db2.gz DQDZTPHUKDZQHD-NXEZZACHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000841456187 588988622 /nfs/dbraw/zinc/98/86/22/588988622.db2.gz DQDZTPHUKDZQHD-NXEZZACHSA-N 1 1 340.355 0.843 20 5 ECBDMO COc1c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896540603 586250513 /nfs/dbraw/zinc/25/05/13/586250513.db2.gz FWXIABOHTCRXGN-SMDDNHRTSA-N 1 1 336.392 0.968 20 5 ECBDMO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1F ZINC000801518986 586998427 /nfs/dbraw/zinc/99/84/27/586998427.db2.gz AVLJGEGMIFYBIY-UHFFFAOYSA-N 1 1 327.356 0.860 20 5 ECBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1F ZINC000801518986 586998430 /nfs/dbraw/zinc/99/84/30/586998430.db2.gz AVLJGEGMIFYBIY-UHFFFAOYSA-N 1 1 327.356 0.860 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750489 587160894 /nfs/dbraw/zinc/16/08/94/587160894.db2.gz KQMSCKWUNKBFNQ-HZMBPMFUSA-N 1 1 341.339 0.738 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000817371334 587340028 /nfs/dbraw/zinc/34/00/28/587340028.db2.gz VNWILQMDSADPCV-GFCCVEGCSA-N 1 1 330.348 0.879 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000820243385 587519381 /nfs/dbraw/zinc/51/93/81/587519381.db2.gz CPGHGEJIVIUIRD-UHFFFAOYSA-N 1 1 338.339 0.720 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821623560 587607057 /nfs/dbraw/zinc/60/70/57/587607057.db2.gz NIYJOBIXXBPUDC-JTQLQIEISA-N 1 1 332.368 0.948 20 5 ECBDMO [NH3+]Cc1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000823048402 587699108 /nfs/dbraw/zinc/69/91/08/587699108.db2.gz XGRNSRRWRAJOGV-UHFFFAOYSA-N 1 1 346.347 0.328 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709178 587957187 /nfs/dbraw/zinc/95/71/87/587957187.db2.gz QOYGJRIQIAJXKP-HUUCEWRRSA-N 1 1 337.376 0.855 20 5 ECBDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000847591519 589258007 /nfs/dbraw/zinc/25/80/07/589258007.db2.gz FWSMDNKNMPOPEK-DJSGYFEHSA-N 1 1 337.376 0.447 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587074 589301122 /nfs/dbraw/zinc/30/11/22/589301122.db2.gz BZLWEVCPQTUNNI-ZDUSSCGKSA-N 1 1 345.302 0.749 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000854644094 589597647 /nfs/dbraw/zinc/59/76/47/589597647.db2.gz DYZNRTKWLPPVJO-MRXNPFEDSA-N 1 1 348.403 0.334 20 5 ECBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000858628176 589761583 /nfs/dbraw/zinc/76/15/83/589761583.db2.gz KWAZNLLWLLCPBH-VIFPVBQESA-N 1 1 349.796 0.823 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000867811246 589846821 /nfs/dbraw/zinc/84/68/21/589846821.db2.gz OFPOVTLKDPLLJJ-PWSUYJOCSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322691 590003745 /nfs/dbraw/zinc/00/37/45/590003745.db2.gz MFQRDOBINJDBJV-TXEJJXNPSA-N 1 1 347.375 0.990 20 5 ECBDMO C[N@@H+](CN1CCN(c2ccccc2[N+](=O)[O-])C1=O)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322691 590003748 /nfs/dbraw/zinc/00/37/48/590003748.db2.gz MFQRDOBINJDBJV-TXEJJXNPSA-N 1 1 347.375 0.990 20 5 ECBDMO Cc1cccc(C[NH+]2CCN(C(=O)Cn3ncc([N+](=O)[O-])n3)CC2)c1 ZINC000863374848 590009914 /nfs/dbraw/zinc/00/99/14/590009914.db2.gz UXJNGSSTQQKYAJ-UHFFFAOYSA-N 1 1 344.375 0.839 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCOCC1 ZINC000879709381 590336207 /nfs/dbraw/zinc/33/62/07/590336207.db2.gz HFMTWXUAOWLPIS-UHFFFAOYSA-N 1 1 325.365 0.884 20 5 ECBDMO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCN(C)CC1 ZINC000877017987 590433721 /nfs/dbraw/zinc/43/37/21/590433721.db2.gz YLMQPHNFHMVYIR-WLYUNCDWSA-N 1 1 336.440 0.968 20 5 ECBDMO CC[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000883899839 590680580 /nfs/dbraw/zinc/68/05/80/590680580.db2.gz ZDIRVTDSHAQJNF-CYBMUJFWSA-N 1 1 348.407 0.916 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000935446190 611371952 /nfs/dbraw/zinc/37/19/52/611371952.db2.gz LZEDIYURWUALBY-GFCCVEGCSA-N 1 1 338.412 0.242 20 5 ECBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233379 611526390 /nfs/dbraw/zinc/52/63/90/611526390.db2.gz BAYRGMORTQXRIS-YIXJMHAVSA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233379 611526391 /nfs/dbraw/zinc/52/63/91/611526391.db2.gz BAYRGMORTQXRIS-YIXJMHAVSA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@H]1C(C)C ZINC000926233379 611526392 /nfs/dbraw/zinc/52/63/92/611526392.db2.gz BAYRGMORTQXRIS-YIXJMHAVSA-N 1 1 325.409 0.638 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934262615 608805019 /nfs/dbraw/zinc/80/50/19/608805019.db2.gz LHSQOXKXBVKODK-LSDHHAIUSA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934262615 608805020 /nfs/dbraw/zinc/80/50/20/608805020.db2.gz LHSQOXKXBVKODK-LSDHHAIUSA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934262615 608805022 /nfs/dbraw/zinc/80/50/22/608805022.db2.gz LHSQOXKXBVKODK-LSDHHAIUSA-N 1 1 336.392 0.288 20 5 ECBDMO CN(CC[N@@H+](C)CCO)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000912607991 609977223 /nfs/dbraw/zinc/97/72/23/609977223.db2.gz BJARPHLFPAESIP-UHFFFAOYSA-N 1 1 334.376 0.932 20 5 ECBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332852 611230266 /nfs/dbraw/zinc/23/02/66/611230266.db2.gz MYZPBJJRMRMBLJ-HZPDHXFCSA-N 1 1 348.403 0.524 20 5 ECBDMO Cn1cncc1C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278855 751850541 /nfs/dbraw/zinc/85/05/41/751850541.db2.gz SXJTZVODULWZEX-SRABZTEZSA-N 1 1 347.419 0.756 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059229647 745269196 /nfs/dbraw/zinc/26/91/96/745269196.db2.gz IMHBXTNRKZSGIZ-MGCOHNPYSA-N 1 1 346.351 0.231 20 5 ECBDMO Cn1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001001397704 746339492 /nfs/dbraw/zinc/33/94/92/746339492.db2.gz XBMNGCPOIJBUGQ-HUUCEWRRSA-N 1 1 348.403 0.379 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105405173 747012474 /nfs/dbraw/zinc/01/24/74/747012474.db2.gz PBFLRUWJSULYMI-UHFFFAOYSA-N 1 1 348.363 0.795 20 5 ECBDMO Cc1nn(C)cc1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764782 751076822 /nfs/dbraw/zinc/07/68/22/751076822.db2.gz CSGOUUPFKOSDAR-HUUCEWRRSA-N 1 1 347.419 0.818 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764782 751076828 /nfs/dbraw/zinc/07/68/28/751076828.db2.gz CSGOUUPFKOSDAR-HUUCEWRRSA-N 1 1 347.419 0.818 20 5 ECBDMO Cc1nn(C)cc1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764782 751076832 /nfs/dbraw/zinc/07/68/32/751076832.db2.gz CSGOUUPFKOSDAR-HUUCEWRRSA-N 1 1 347.419 0.818 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cn(CC3CC3)nn2)CC1 ZINC000996429709 757658631 /nfs/dbraw/zinc/65/86/31/757658631.db2.gz TWJFTKMFBZKFFU-HUUCEWRRSA-N 1 1 348.407 0.434 20 5 ECBDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048732761 761067798 /nfs/dbraw/zinc/06/77/98/761067798.db2.gz NRDKBNBOYZEAOE-BETUJISGSA-N 1 1 332.360 0.360 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2nccn2C(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139273 772206537 /nfs/dbraw/zinc/20/65/37/772206537.db2.gz WKVRJCJWIGAFQB-ZYUZMQFOSA-N 1 1 329.307 0.680 20 5 ECBDMO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079930631 777103810 /nfs/dbraw/zinc/10/38/10/777103810.db2.gz WLGUOXUYMUXYAM-CHWSQXEVSA-N 1 1 326.397 0.051 20 5 ECBDMO CCN(C(=O)C[N@H+](C)C(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079930631 777103816 /nfs/dbraw/zinc/10/38/16/777103816.db2.gz WLGUOXUYMUXYAM-CHWSQXEVSA-N 1 1 326.397 0.051 20 5 ECBDMO CCN(C(=O)C[N@@H+](C)C(C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079930631 777103823 /nfs/dbraw/zinc/10/38/23/777103823.db2.gz WLGUOXUYMUXYAM-CHWSQXEVSA-N 1 1 326.397 0.051 20 5 ECBDMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072565065 786372147 /nfs/dbraw/zinc/37/21/47/786372147.db2.gz HCOPCMKEJGKMBA-UHFFFAOYSA-N 1 1 332.360 0.505 20 5 ECBDMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072564938 786372245 /nfs/dbraw/zinc/37/22/45/786372245.db2.gz AYXUAYIIUFTMTQ-UHFFFAOYSA-N 1 1 332.360 0.505 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)NCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC001266297925 835650038 /nfs/dbraw/zinc/65/00/38/835650038.db2.gz VAVUUXOSSCUIGP-UHFFFAOYSA-N 1 1 335.368 0.081 20 5 ECBDMO CN(CC[NH2+]CC(=O)Nc1ccccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696520 836159178 /nfs/dbraw/zinc/15/91/78/836159178.db2.gz LDNJHXKJDBCTIZ-ZWNOBZJWSA-N 1 1 338.339 0.477 20 5 ECBDMO CC[N@@H+](CCNC(=O)c1ncn(C)n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267240091 837047450 /nfs/dbraw/zinc/04/74/50/837047450.db2.gz AKEIXGDOPCJBSX-UHFFFAOYSA-N 1 1 332.364 0.975 20 5 ECBDMO CN(C)C(=O)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001267937214 838820978 /nfs/dbraw/zinc/82/09/78/838820978.db2.gz WQWBFLSYADEICN-ZIAGYGMSSA-N 1 1 334.376 0.146 20 5 ECBDMO CC(C)NC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001268036502 839103959 /nfs/dbraw/zinc/10/39/59/839103959.db2.gz XPHFVUZXHOVWFN-VXGBXAGGSA-N 1 1 326.397 0.195 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000174335043 231180796 /nfs/dbraw/zinc/18/07/96/231180796.db2.gz QNVYLHLUCLIQSC-NWDGAFQWSA-N 1 1 325.369 0.095 20 5 ECBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355068399 299194786 /nfs/dbraw/zinc/19/47/86/299194786.db2.gz MKEVHMLTYRZQMW-CYBMUJFWSA-N 1 1 340.380 0.538 20 5 ECBDMO C[C@@H](CO)[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000131912640 223282898 /nfs/dbraw/zinc/28/28/98/223282898.db2.gz LNQCSSQDGPMOMR-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186721023 296263020 /nfs/dbraw/zinc/26/30/20/296263020.db2.gz DMWXJLJQFCGKQX-GFCCVEGCSA-N 1 1 332.360 0.631 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450623279 211336407 /nfs/dbraw/zinc/33/64/07/211336407.db2.gz MCXSYTVHZIANKK-INIZCTEOSA-N 1 1 335.360 0.741 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000411906900 208161509 /nfs/dbraw/zinc/16/15/09/208161509.db2.gz OLQIWNSCHJPIJQ-UHFFFAOYSA-N 1 1 343.355 0.979 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000411943252 208175337 /nfs/dbraw/zinc/17/53/37/208175337.db2.gz NIJXFOYNJHKPDI-ZDUSSCGKSA-N 1 1 346.387 0.894 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000413965549 208383917 /nfs/dbraw/zinc/38/39/17/208383917.db2.gz HYBVFNORCYUCKV-UHFFFAOYSA-N 1 1 339.396 0.717 20 5 ECBDMO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C(C)(C)C[NH+]1CCOCC1 ZINC000414049564 208391965 /nfs/dbraw/zinc/39/19/65/208391965.db2.gz IDHRCVPQFKCRNL-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000419276165 209048561 /nfs/dbraw/zinc/04/85/61/209048561.db2.gz SVIBGRXGROVISM-SECBINFHSA-N 1 1 344.318 0.791 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]2C1 ZINC000193619578 165057912 /nfs/dbraw/zinc/05/79/12/165057912.db2.gz ATAINPXTEISWII-OKILXGFUSA-N 1 1 330.388 0.977 20 5 ECBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000247291746 165157302 /nfs/dbraw/zinc/15/73/02/165157302.db2.gz GLCIAVGDBHPFRK-JSGCOSHPSA-N 1 1 336.392 0.945 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247585692 165165369 /nfs/dbraw/zinc/16/53/69/165165369.db2.gz MGOXWVQYJYEIPI-GXTWGEPZSA-N 1 1 337.376 0.793 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251709141 165205477 /nfs/dbraw/zinc/20/54/77/165205477.db2.gz KFUXHHOKOCTISI-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000251709141 165205481 /nfs/dbraw/zinc/20/54/81/165205481.db2.gz KFUXHHOKOCTISI-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261732440 165233143 /nfs/dbraw/zinc/23/31/43/165233143.db2.gz RXGKKGYSFJXPMH-ZDUSSCGKSA-N 1 1 336.392 0.890 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261808918 165245997 /nfs/dbraw/zinc/24/59/97/165245997.db2.gz WPMORCYZWLSSEJ-LBPRGKRZSA-N 1 1 347.379 0.396 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000299681639 296878378 /nfs/dbraw/zinc/87/83/78/296878378.db2.gz JRIKZZPVOUCZJX-UHFFFAOYSA-N 1 1 338.339 0.674 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCOC ZINC000123386548 222268681 /nfs/dbraw/zinc/26/86/81/222268681.db2.gz XXOBUJBDKYQBOE-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCOC ZINC000123386548 222268682 /nfs/dbraw/zinc/26/86/82/222268682.db2.gz XXOBUJBDKYQBOE-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n(C)c1=O ZINC000183804150 263157661 /nfs/dbraw/zinc/15/76/61/263157661.db2.gz WGVXGNDXODENGY-UHFFFAOYSA-N 1 1 338.751 0.935 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000183980586 263158036 /nfs/dbraw/zinc/15/80/36/263158036.db2.gz GNEPWNGHPCYGAS-UHFFFAOYSA-N 1 1 347.375 0.825 20 5 ECBDMO COC(=O)C[C@@H]1CSCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270586274 263254580 /nfs/dbraw/zinc/25/45/80/263254580.db2.gz SAJYKGLAYHIGAP-GFCCVEGCSA-N 1 1 341.389 0.737 20 5 ECBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270586274 263254581 /nfs/dbraw/zinc/25/45/81/263254581.db2.gz SAJYKGLAYHIGAP-GFCCVEGCSA-N 1 1 341.389 0.737 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000270964774 263289010 /nfs/dbraw/zinc/28/90/10/263289010.db2.gz AVMFREBSCZWHJG-NSHDSACASA-N 1 1 339.396 0.847 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272640020 263358410 /nfs/dbraw/zinc/35/84/10/263358410.db2.gz LNCFZMFTVQUXBT-UHFFFAOYSA-N 1 1 330.348 0.873 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353965 264037153 /nfs/dbraw/zinc/03/71/53/264037153.db2.gz CRCJFCMRCJZZTL-GHYVTOPFSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353965 264037154 /nfs/dbraw/zinc/03/71/54/264037154.db2.gz CRCJFCMRCJZZTL-GHYVTOPFSA-N 1 1 338.364 0.975 20 5 ECBDMO CNC(=O)c1ccc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000284981738 264265162 /nfs/dbraw/zinc/26/51/62/264265162.db2.gz LAQHGDCZLVBJBC-GJZGRUSLSA-N 1 1 334.376 0.864 20 5 ECBDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285214558 264291998 /nfs/dbraw/zinc/29/19/98/264291998.db2.gz WNIYBUGEJAQKCL-KGLIPLIRSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285214558 264291999 /nfs/dbraw/zinc/29/19/99/264291999.db2.gz WNIYBUGEJAQKCL-KGLIPLIRSA-N 1 1 341.389 0.688 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405288 276208315 /nfs/dbraw/zinc/20/83/15/276208315.db2.gz LKXOIFVOQWIEGY-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405288 276208316 /nfs/dbraw/zinc/20/83/16/276208316.db2.gz LKXOIFVOQWIEGY-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420580768 277000266 /nfs/dbraw/zinc/00/02/66/277000266.db2.gz DFLUKEHUIUPJMT-UHFFFAOYSA-N 1 1 335.364 0.316 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000373393234 277095449 /nfs/dbraw/zinc/09/54/49/277095449.db2.gz OKDAJVNDLSMXRT-LBPRGKRZSA-N 1 1 334.380 0.375 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000330791647 437617514 /nfs/dbraw/zinc/61/75/14/437617514.db2.gz BJWYYTOKADECGU-WDEREUQCSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000330791647 437617518 /nfs/dbraw/zinc/61/75/18/437617518.db2.gz BJWYYTOKADECGU-WDEREUQCSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361511567 300103410 /nfs/dbraw/zinc/10/34/10/300103410.db2.gz SXXFVYLRDJTKFN-XBFCOCLRSA-N 1 1 326.353 0.032 20 5 ECBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827139 300224146 /nfs/dbraw/zinc/22/41/46/300224146.db2.gz SFXUCNCMGZRRKC-OAHLLOKOSA-N 1 1 348.403 0.870 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)C1 ZINC000364884732 300397001 /nfs/dbraw/zinc/39/70/01/300397001.db2.gz DTEUAEIQPXSZEH-AWEZNQCLSA-N 1 1 347.419 0.910 20 5 ECBDMO Nc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000370161416 300800315 /nfs/dbraw/zinc/80/03/15/300800315.db2.gz KIMQILHRHZKQHB-TZMCWYRMSA-N 1 1 334.376 0.848 20 5 ECBDMO CN1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372557411 301009148 /nfs/dbraw/zinc/00/91/48/301009148.db2.gz MMQWEAOPAHXBSR-UKRRQHHQSA-N 1 1 337.380 0.097 20 5 ECBDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000372752975 301026513 /nfs/dbraw/zinc/02/65/13/301026513.db2.gz TZZRTYKXFFNYCB-LBPRGKRZSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000372752975 301026515 /nfs/dbraw/zinc/02/65/15/301026515.db2.gz TZZRTYKXFFNYCB-LBPRGKRZSA-N 1 1 343.405 0.672 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cn1 ZINC000375834530 301214793 /nfs/dbraw/zinc/21/47/93/301214793.db2.gz MWCSGLHDLIAIJW-CQSZACIVSA-N 1 1 330.348 0.697 20 5 ECBDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1C ZINC000076831149 436219172 /nfs/dbraw/zinc/21/91/72/436219172.db2.gz NWMCUQISEJIEDK-UHFFFAOYSA-N 1 1 345.406 0.934 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000090552712 436433740 /nfs/dbraw/zinc/43/37/40/436433740.db2.gz VVWSWNGUJXZPOC-STQMWFEESA-N 1 1 325.390 0.963 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000052161191 436502255 /nfs/dbraw/zinc/50/22/55/436502255.db2.gz WOWUDIKOXHQUKH-UHFFFAOYSA-N 1 1 333.392 0.980 20 5 ECBDMO CCNC(=O)C[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053400350 436530679 /nfs/dbraw/zinc/53/06/79/436530679.db2.gz QABVUQINMPEQEG-ZDUSSCGKSA-N 1 1 325.365 0.793 20 5 ECBDMO CCNC(=O)C[N@@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053400350 436530682 /nfs/dbraw/zinc/53/06/82/436530682.db2.gz QABVUQINMPEQEG-ZDUSSCGKSA-N 1 1 325.365 0.793 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109093990 436622142 /nfs/dbraw/zinc/62/21/42/436622142.db2.gz ZLFOBBKZTXEIJC-CYBMUJFWSA-N 1 1 330.348 1.000 20 5 ECBDMO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000114379491 436640296 /nfs/dbraw/zinc/64/02/96/436640296.db2.gz OCXGCCYRJVXNFT-LBPRGKRZSA-N 1 1 335.408 0.790 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245601373 436767130 /nfs/dbraw/zinc/76/71/30/436767130.db2.gz VVWSWNGUJXZPOC-CHWSQXEVSA-N 1 1 325.390 0.963 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000069502460 436777217 /nfs/dbraw/zinc/77/72/17/436777217.db2.gz VCQLXXDUNPNMAL-LBPRGKRZSA-N 1 1 325.369 0.327 20 5 ECBDMO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000069534305 436779495 /nfs/dbraw/zinc/77/94/95/436779495.db2.gz ZODNRNFWEDKITM-NSHDSACASA-N 1 1 334.376 0.924 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000249514711 436822670 /nfs/dbraw/zinc/82/26/70/436822670.db2.gz PWLMRRWUIFRPDG-NEPJUHHUSA-N 1 1 336.392 0.581 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000249496929 436821789 /nfs/dbraw/zinc/82/17/89/436821789.db2.gz HBQWRIDLQGYGNM-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000274547879 436841591 /nfs/dbraw/zinc/84/15/91/436841591.db2.gz MBJWSARWNOZFFV-UHFFFAOYSA-N 1 1 334.376 0.980 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157944557 436836233 /nfs/dbraw/zinc/83/62/33/436836233.db2.gz LEEKRKMVILTSOP-IUODEOHRSA-N 1 1 336.392 0.866 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157944557 436836239 /nfs/dbraw/zinc/83/62/39/436836239.db2.gz LEEKRKMVILTSOP-IUODEOHRSA-N 1 1 336.392 0.866 20 5 ECBDMO COc1cc(CCNC(=O)[C@H]2CSC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000262206238 436915925 /nfs/dbraw/zinc/91/59/25/436915925.db2.gz KCDXCEPQXHPEMG-SNVBAGLBSA-N 1 1 341.389 0.933 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000280786613 436920720 /nfs/dbraw/zinc/92/07/20/436920720.db2.gz KMNKSUPSMZAEOB-UHFFFAOYSA-N 1 1 325.365 0.712 20 5 ECBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000161643262 436893980 /nfs/dbraw/zinc/89/39/80/436893980.db2.gz VVIXJODOWUFMMT-JSGCOSHPSA-N 1 1 336.396 0.917 20 5 ECBDMO CN1CCN([C@H]2CCCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863515 436897688 /nfs/dbraw/zinc/89/76/88/436897688.db2.gz KTBWEJZHMDNMNM-HNNXBMFYSA-N 1 1 336.440 0.893 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000295587515 436973776 /nfs/dbraw/zinc/97/37/76/436973776.db2.gz MHFUXYYPIBGLQJ-NSHDSACASA-N 1 1 339.348 0.625 20 5 ECBDMO CN(C)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298442558 437036855 /nfs/dbraw/zinc/03/68/55/437036855.db2.gz DBHVZMIFJCMREU-UHFFFAOYSA-N 1 1 336.396 0.527 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000275715639 437003347 /nfs/dbraw/zinc/00/33/47/437003347.db2.gz UYLPHRCHIDFUFX-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000275715639 437003352 /nfs/dbraw/zinc/00/33/52/437003352.db2.gz UYLPHRCHIDFUFX-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000281897749 437005543 /nfs/dbraw/zinc/00/55/43/437005543.db2.gz YUJPTBYLRVUUHH-UHFFFAOYSA-N 1 1 337.380 0.451 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264700794 437067235 /nfs/dbraw/zinc/06/72/35/437067235.db2.gz DAATZRRVKLTODG-LLVKDONJSA-N 1 1 340.355 0.475 20 5 ECBDMO Cn1c[nH+]cc1CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302167923 437140807 /nfs/dbraw/zinc/14/08/07/437140807.db2.gz SJWYPOTVYAQAJZ-UHFFFAOYSA-N 1 1 325.350 0.630 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286644457 437114439 /nfs/dbraw/zinc/11/44/39/437114439.db2.gz DIWHIKURXFYPBH-LLVKDONJSA-N 1 1 332.364 0.901 20 5 ECBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684633 437117371 /nfs/dbraw/zinc/11/73/71/437117371.db2.gz CNWRMEFJBYKCAM-AAEUAGOBSA-N 1 1 341.368 0.363 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000176362186 437140087 /nfs/dbraw/zinc/14/00/87/437140087.db2.gz WHNOJNVQVKRPGH-UHFFFAOYSA-N 1 1 348.403 0.808 20 5 ECBDMO COCCO[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000179249106 437256813 /nfs/dbraw/zinc/25/68/13/437256813.db2.gz LKVPVBMUZDYRCI-CQSZACIVSA-N 1 1 325.365 0.884 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113681 437292241 /nfs/dbraw/zinc/29/22/41/437292241.db2.gz YFTXXUCWQWVPIY-STQMWFEESA-N 1 1 339.396 0.654 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000338734955 437415424 /nfs/dbraw/zinc/41/54/24/437415424.db2.gz YQKQIAPYHIUAQH-RYUDHWBXSA-N 1 1 335.364 0.388 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000339047653 437436799 /nfs/dbraw/zinc/43/67/99/437436799.db2.gz NHMNULTYJQDZJA-UWVGGRQHSA-N 1 1 331.398 0.572 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187657321 437508675 /nfs/dbraw/zinc/50/86/75/437508675.db2.gz FQFPWCDYURVYRJ-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187657321 437508682 /nfs/dbraw/zinc/50/86/82/437508682.db2.gz FQFPWCDYURVYRJ-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187672507 437509505 /nfs/dbraw/zinc/50/95/05/437509505.db2.gz MMJATIIIHAEAIK-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187672507 437509509 /nfs/dbraw/zinc/50/95/09/437509509.db2.gz MMJATIIIHAEAIK-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000290828649 437533309 /nfs/dbraw/zinc/53/33/09/437533309.db2.gz GKJXYDVETJLALT-TZMCWYRMSA-N 1 1 337.380 0.503 20 5 ECBDMO COCC[N@H+](Cc1cccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191246350 437651755 /nfs/dbraw/zinc/65/17/55/437651755.db2.gz NARKZGALOQITML-HNNXBMFYSA-N 1 1 335.364 0.696 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000330961906 437657133 /nfs/dbraw/zinc/65/71/33/437657133.db2.gz PXOJBWFRCHCRMD-PWSUYJOCSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000330961906 437657138 /nfs/dbraw/zinc/65/71/38/437657138.db2.gz PXOJBWFRCHCRMD-PWSUYJOCSA-N 1 1 338.412 0.990 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361558268 437671551 /nfs/dbraw/zinc/67/15/51/437671551.db2.gz VYVJGSAOTCGTJJ-OAHLLOKOSA-N 1 1 336.348 0.739 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361558268 437671557 /nfs/dbraw/zinc/67/15/57/437671557.db2.gz VYVJGSAOTCGTJJ-OAHLLOKOSA-N 1 1 336.348 0.739 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000331082180 437684553 /nfs/dbraw/zinc/68/45/53/437684553.db2.gz YALMDNMZBUVLJS-WDEREUQCSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)n1 ZINC000331082180 437684558 /nfs/dbraw/zinc/68/45/58/437684558.db2.gz YALMDNMZBUVLJS-WDEREUQCSA-N 1 1 325.369 0.338 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363220413 437775767 /nfs/dbraw/zinc/77/57/67/437775767.db2.gz ZVIXSUCARAKCJX-OAHLLOKOSA-N 1 1 348.403 0.731 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401608 438066341 /nfs/dbraw/zinc/06/63/41/438066341.db2.gz AEIMVXCMHPDUKT-QWHCGFSZSA-N 1 1 346.343 0.152 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401608 438066347 /nfs/dbraw/zinc/06/63/47/438066347.db2.gz AEIMVXCMHPDUKT-QWHCGFSZSA-N 1 1 346.343 0.152 20 5 ECBDMO CCn1nc2c(cc1=O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372841416 438113207 /nfs/dbraw/zinc/11/32/07/438113207.db2.gz VFJYLKAXLNELHE-UHFFFAOYSA-N 1 1 345.359 0.391 20 5 ECBDMO CCn1nc2c(cc1=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372841416 438113210 /nfs/dbraw/zinc/11/32/10/438113210.db2.gz VFJYLKAXLNELHE-UHFFFAOYSA-N 1 1 345.359 0.391 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635458 438105143 /nfs/dbraw/zinc/10/51/43/438105143.db2.gz HESXHFZMFSXURV-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635458 438105150 /nfs/dbraw/zinc/10/51/50/438105150.db2.gz HESXHFZMFSXURV-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1NCCCCN1CC[NH+](CCO)CC1 ZINC000358225843 438187351 /nfs/dbraw/zinc/18/73/51/438187351.db2.gz QVTMKZRBEOAOPY-UHFFFAOYSA-N 1 1 326.401 0.130 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000373547118 438157075 /nfs/dbraw/zinc/15/70/75/438157075.db2.gz RZMKVDUEIZZEPW-BFYDXBDKSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373547118 438157079 /nfs/dbraw/zinc/15/70/79/438157079.db2.gz RZMKVDUEIZZEPW-BFYDXBDKSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373547118 438157083 /nfs/dbraw/zinc/15/70/83/438157083.db2.gz RZMKVDUEIZZEPW-BFYDXBDKSA-N 1 1 333.388 0.747 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367776386 438247631 /nfs/dbraw/zinc/24/76/31/438247631.db2.gz FBISMGUTZBWGQI-WDEREUQCSA-N 1 1 349.343 0.707 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000368637196 438356688 /nfs/dbraw/zinc/35/66/88/438356688.db2.gz JSQNXOHGHRRVCD-GMTAPVOTSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000368637196 438356690 /nfs/dbraw/zinc/35/66/90/438356690.db2.gz JSQNXOHGHRRVCD-GMTAPVOTSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000351936856 438359360 /nfs/dbraw/zinc/35/93/60/438359360.db2.gz MQVDHEPUDSJMAU-LLVKDONJSA-N 1 1 339.348 0.568 20 5 ECBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000420974543 438454413 /nfs/dbraw/zinc/45/44/13/438454413.db2.gz OUYZAOAPBOMBDQ-CYBMUJFWSA-N 1 1 343.405 0.984 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000420974543 438454417 /nfs/dbraw/zinc/45/44/17/438454417.db2.gz OUYZAOAPBOMBDQ-CYBMUJFWSA-N 1 1 343.405 0.984 20 5 ECBDMO COC(=O)[C@H]1CSCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412081413 438686314 /nfs/dbraw/zinc/68/63/14/438686314.db2.gz QZYPWGQFHJZWQC-LLVKDONJSA-N 1 1 341.389 0.595 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000494703872 438704577 /nfs/dbraw/zinc/70/45/77/438704577.db2.gz QZNWMQTYRHMZII-ZDUSSCGKSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000494703871 438705432 /nfs/dbraw/zinc/70/54/32/438705432.db2.gz QZNWMQTYRHMZII-CYBMUJFWSA-N 1 1 343.405 0.987 20 5 ECBDMO CNc1nc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000456027408 438756595 /nfs/dbraw/zinc/75/65/95/438756595.db2.gz GSNJHIJZBNFKAN-NSHDSACASA-N 1 1 337.380 0.608 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000601187324 438829019 /nfs/dbraw/zinc/82/90/19/438829019.db2.gz RNCBWBHUGASMOD-JGVFFNPUSA-N 1 1 335.286 0.602 20 5 ECBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601445647 438897496 /nfs/dbraw/zinc/89/74/96/438897496.db2.gz FVCFBSURHGRZPP-LBPRGKRZSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C1CCCN1C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595827329 438866752 /nfs/dbraw/zinc/86/67/52/438866752.db2.gz BQNNYGBFZJXTIH-ZDUSSCGKSA-N 1 1 334.376 0.701 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596119695 438927873 /nfs/dbraw/zinc/92/78/73/438927873.db2.gz MWKABMBQCCRVHC-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC(C[NH+]3CCOCC3)C2)n1 ZINC000590567954 438935612 /nfs/dbraw/zinc/93/56/12/438935612.db2.gz JMFYSGMPWWUNLH-UHFFFAOYSA-N 1 1 336.348 0.545 20 5 ECBDMO O=C1[C@@H]([N@@H+]2CCC[C@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629282 438981119 /nfs/dbraw/zinc/98/11/19/438981119.db2.gz GYKOCVVMONPDOI-GOEBONIOSA-N 1 1 335.360 0.519 20 5 ECBDMO O=C1[C@@H]([N@H+]2CCC[C@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629282 438981122 /nfs/dbraw/zinc/98/11/22/438981122.db2.gz GYKOCVVMONPDOI-GOEBONIOSA-N 1 1 335.360 0.519 20 5 ECBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000591457384 439016659 /nfs/dbraw/zinc/01/66/59/439016659.db2.gz DGWBVYDKGUHTSW-GFCCVEGCSA-N 1 1 334.376 0.995 20 5 ECBDMO CNc1ccc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000520765008 439094779 /nfs/dbraw/zinc/09/47/79/439094779.db2.gz RGAPJNBPJQKEJX-ZDUSSCGKSA-N 1 1 349.391 0.706 20 5 ECBDMO COc1cc(OC[C@H](O)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000520236031 439077047 /nfs/dbraw/zinc/07/70/47/439077047.db2.gz JYXLVPYSGKOXHQ-GFCCVEGCSA-N 1 1 325.365 0.591 20 5 ECBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873256 439151298 /nfs/dbraw/zinc/15/12/98/439151298.db2.gz IFYBQYYCDACHKW-UONOGXRCSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873256 439151301 /nfs/dbraw/zinc/15/13/01/439151301.db2.gz IFYBQYYCDACHKW-UONOGXRCSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000602873256 439151303 /nfs/dbraw/zinc/15/13/03/439151303.db2.gz IFYBQYYCDACHKW-UONOGXRCSA-N 1 1 325.413 0.814 20 5 ECBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592184178 439173948 /nfs/dbraw/zinc/17/39/48/439173948.db2.gz HQEUNMYIBFCXGL-LLVKDONJSA-N 1 1 335.286 0.792 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000602989300 439178034 /nfs/dbraw/zinc/17/80/34/439178034.db2.gz KKWPOXGUOMWYBK-UHFFFAOYSA-N 1 1 336.392 0.809 20 5 ECBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC(=O)NC1CC1 ZINC000488778068 439199157 /nfs/dbraw/zinc/19/91/57/439199157.db2.gz CYNLFBMWPOSVHI-UHFFFAOYSA-N 1 1 336.352 0.416 20 5 ECBDMO COC(=O)c1ccnc(NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000598588705 439281409 /nfs/dbraw/zinc/28/14/09/439281409.db2.gz KZKITKFKLLPGKV-UHFFFAOYSA-N 1 1 337.380 0.826 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489893939 439246551 /nfs/dbraw/zinc/24/65/51/439246551.db2.gz XVXAPZFXOADCSV-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000598367111 439256762 /nfs/dbraw/zinc/25/67/62/439256762.db2.gz MWPVOZDTAYTATH-CHWSQXEVSA-N 1 1 349.391 0.551 20 5 ECBDMO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)C1=O ZINC000568673726 439269801 /nfs/dbraw/zinc/26/98/01/439269801.db2.gz QEIQPQANZMOHTH-LLVKDONJSA-N 1 1 336.348 0.613 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593000145 439330613 /nfs/dbraw/zinc/33/06/13/439330613.db2.gz WAFUDYMDOQGKHN-ZIAGYGMSSA-N 1 1 337.376 0.085 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000569020144 439299825 /nfs/dbraw/zinc/29/98/25/439299825.db2.gz USYCATQZQNKYIX-LLVKDONJSA-N 1 1 349.391 0.897 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604278226 439304047 /nfs/dbraw/zinc/30/40/47/439304047.db2.gz UTXIQMDPARSVEJ-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604278226 439304052 /nfs/dbraw/zinc/30/40/52/439304052.db2.gz UTXIQMDPARSVEJ-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(C[N@@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000599139420 439367499 /nfs/dbraw/zinc/36/74/99/439367499.db2.gz MCQPXXPMWYIYNF-LBPRGKRZSA-N 1 1 344.375 1.084 20 5 ECBDMO COc1ccc(C[N@H+]2CC[C@H]2CNc2ncc([N+](=O)[O-])c(N)n2)cc1 ZINC000599139420 439367504 /nfs/dbraw/zinc/36/75/04/439367504.db2.gz MCQPXXPMWYIYNF-LBPRGKRZSA-N 1 1 344.375 1.084 20 5 ECBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562555 439407583 /nfs/dbraw/zinc/40/75/83/439407583.db2.gz GGYVFUOXXKCEKJ-BXKDBHETSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562555 439407587 /nfs/dbraw/zinc/40/75/87/439407587.db2.gz GGYVFUOXXKCEKJ-BXKDBHETSA-N 1 1 326.378 0.751 20 5 ECBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593545009 439401658 /nfs/dbraw/zinc/40/16/58/439401658.db2.gz YPLIQQICKTXYHF-UHFFFAOYSA-N 1 1 345.425 0.104 20 5 ECBDMO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000599216965 439385587 /nfs/dbraw/zinc/38/55/87/439385587.db2.gz WVWRJZSVYUGISM-MNOVXSKESA-N 1 1 345.425 0.727 20 5 ECBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599310618 439425974 /nfs/dbraw/zinc/42/59/74/439425974.db2.gz XIZZPGQPCHINHM-JTQLQIEISA-N 1 1 333.414 0.727 20 5 ECBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3nccnn3)CC2)c1 ZINC000599510662 439496050 /nfs/dbraw/zinc/49/60/50/439496050.db2.gz XCQUHTKPHKEHQJ-UHFFFAOYSA-N 1 1 330.348 0.981 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594025150 439509332 /nfs/dbraw/zinc/50/93/32/439509332.db2.gz BISLSXHHBVSOCB-UONOGXRCSA-N 1 1 335.360 0.632 20 5 ECBDMO Nc1nccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000594291519 439535221 /nfs/dbraw/zinc/53/52/21/439535221.db2.gz IIUHPEHXRVXZEN-RYUDHWBXSA-N 1 1 335.364 0.243 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393468 439554164 /nfs/dbraw/zinc/55/41/64/439554164.db2.gz OBLIPSINMYKEOD-NWDGAFQWSA-N 1 1 349.343 0.257 20 5 ECBDMO COc1ccnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1F ZINC000594733493 439599694 /nfs/dbraw/zinc/59/96/94/439599694.db2.gz WIWVURPQXCOIPS-JTQLQIEISA-N 1 1 325.300 0.485 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000594748979 439600749 /nfs/dbraw/zinc/60/07/49/439600749.db2.gz QTUDIDAPWBXTSR-WDEREUQCSA-N 1 1 326.378 0.895 20 5 ECBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000594784943 439611087 /nfs/dbraw/zinc/61/10/87/439611087.db2.gz DYUUCCQSPMQPRB-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO COCC[N@@H+](C)CCN1C[C@@H](Nc2ncccc2[N+](=O)[O-])CC1=O ZINC000594874551 439636231 /nfs/dbraw/zinc/63/62/31/439636231.db2.gz ZVFWEOGOCHGEPO-LBPRGKRZSA-N 1 1 337.380 0.581 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)[N@@H+](C)C1 ZINC000585803566 439654147 /nfs/dbraw/zinc/65/41/47/439654147.db2.gz QDQDQQDNERAPPH-ZFWWWQNUSA-N 1 1 335.360 0.904 20 5 ECBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H](O)C1CC1 ZINC000610967329 439662361 /nfs/dbraw/zinc/66/23/61/439662361.db2.gz YFVXHSGSXHLWCJ-GFCCVEGCSA-N 1 1 337.332 0.965 20 5 ECBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H](O)C1CC1 ZINC000610967329 439662363 /nfs/dbraw/zinc/66/23/63/439662363.db2.gz YFVXHSGSXHLWCJ-GFCCVEGCSA-N 1 1 337.332 0.965 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000584832504 439620367 /nfs/dbraw/zinc/62/03/67/439620367.db2.gz BVNWEDOYDKJKMS-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600704234 439692571 /nfs/dbraw/zinc/69/25/71/439692571.db2.gz MOAMUQSTLNKFLC-UHFFFAOYSA-N 1 1 348.359 0.513 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612057543 439746210 /nfs/dbraw/zinc/74/62/10/439746210.db2.gz QEZZSNDIUQXVJE-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@H+](CC(=O)N1CCCC1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612057543 439746212 /nfs/dbraw/zinc/74/62/12/439746212.db2.gz QEZZSNDIUQXVJE-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(N)=O ZINC000345107556 321174649 /nfs/dbraw/zinc/17/46/49/321174649.db2.gz TUEMIGQCHOQCKS-GFCCVEGCSA-N 1 1 336.348 0.882 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3[C@@H](CO)CC[C@H]3CO)n2)c1 ZINC000347334118 321236675 /nfs/dbraw/zinc/23/66/75/321236675.db2.gz MKAWVMVEWGXFQV-BETUJISGSA-N 1 1 334.332 0.962 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3[C@@H](CO)CC[C@H]3CO)n2)c1 ZINC000347334118 321236677 /nfs/dbraw/zinc/23/66/77/321236677.db2.gz MKAWVMVEWGXFQV-BETUJISGSA-N 1 1 334.332 0.962 20 5 ECBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248653 321271604 /nfs/dbraw/zinc/27/16/04/321271604.db2.gz PKXFSYPZHBAFAT-UBHSHLNASA-N 1 1 326.353 0.032 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2cc(Nc3ncccc3[N+](=O)[O-])cn2)CC1 ZINC000352633069 321368020 /nfs/dbraw/zinc/36/80/20/321368020.db2.gz KITLWLJSCJGIEK-UHFFFAOYSA-N 1 1 345.363 0.704 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352795814 321372324 /nfs/dbraw/zinc/37/23/24/321372324.db2.gz FUPHLUJVJAOJKY-STQMWFEESA-N 1 1 339.348 0.624 20 5 ECBDMO Cc1c(CC(=O)NCCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000178707988 533830641 /nfs/dbraw/zinc/83/06/41/533830641.db2.gz NEEGEWFQKMUNJA-UHFFFAOYSA-N 1 1 348.403 0.726 20 5 ECBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000184081235 533913118 /nfs/dbraw/zinc/91/31/18/533913118.db2.gz KULXDQYXYGADHL-GFCCVEGCSA-N 1 1 335.408 0.933 20 5 ECBDMO CCNC(=O)C[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181518353 528083301 /nfs/dbraw/zinc/08/33/01/528083301.db2.gz FIEZMXLPHWBLHV-LBPRGKRZSA-N 1 1 325.365 0.793 20 5 ECBDMO CCNC(=O)C[N@@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181518353 528083308 /nfs/dbraw/zinc/08/33/08/528083308.db2.gz FIEZMXLPHWBLHV-LBPRGKRZSA-N 1 1 325.365 0.793 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000184336238 528552648 /nfs/dbraw/zinc/55/26/48/528552648.db2.gz UHYPGEMVYZXOOF-UHFFFAOYSA-N 1 1 349.384 0.635 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251989 546310475 /nfs/dbraw/zinc/31/04/75/546310475.db2.gz DFWWARKEIIPWHZ-NEPJUHHUSA-N 1 1 325.344 0.744 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1 ZINC000619873743 546376366 /nfs/dbraw/zinc/37/63/66/546376366.db2.gz TWRVUPLIAVBLJM-LBPRGKRZSA-N 1 1 334.376 0.723 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096526 579347478 /nfs/dbraw/zinc/34/74/78/579347478.db2.gz QBWQIYOYDQANNZ-OLZOCXBDSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096526 579347479 /nfs/dbraw/zinc/34/74/79/579347479.db2.gz QBWQIYOYDQANNZ-OLZOCXBDSA-N 1 1 329.378 0.381 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736567971 578437111 /nfs/dbraw/zinc/43/71/11/578437111.db2.gz IFJYFHBNZMQQOU-NSHDSACASA-N 1 1 333.352 0.908 20 5 ECBDMO CC[N@H+]1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736567971 578437112 /nfs/dbraw/zinc/43/71/12/578437112.db2.gz IFJYFHBNZMQQOU-NSHDSACASA-N 1 1 333.352 0.908 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736862220 578458749 /nfs/dbraw/zinc/45/87/49/578458749.db2.gz AJZRCCSSDLDCPX-NSHDSACASA-N 1 1 332.368 0.433 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000780714788 578699526 /nfs/dbraw/zinc/69/95/26/578699526.db2.gz FVXPJHIGVNMCTL-NSHDSACASA-N 1 1 345.425 0.964 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000784152598 578749294 /nfs/dbraw/zinc/74/92/94/578749294.db2.gz NQGOZZYLSIBCRN-LLVKDONJSA-N 1 1 336.348 0.699 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000767242175 579104137 /nfs/dbraw/zinc/10/41/37/579104137.db2.gz BCBOADSLGDOBQI-UHFFFAOYSA-N 1 1 328.336 0.698 20 5 ECBDMO CS(=O)(=O)N1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575126 579284440 /nfs/dbraw/zinc/28/44/40/579284440.db2.gz NXJLZMYNXQRWCF-CQSZACIVSA-N 1 1 343.405 0.596 20 5 ECBDMO CS(=O)(=O)N1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575126 579284441 /nfs/dbraw/zinc/28/44/41/579284441.db2.gz NXJLZMYNXQRWCF-CQSZACIVSA-N 1 1 343.405 0.596 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582794 579284816 /nfs/dbraw/zinc/28/48/16/579284816.db2.gz BZJNZPRQWPUNEZ-YPMHNXCESA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582794 579284817 /nfs/dbraw/zinc/28/48/17/579284817.db2.gz BZJNZPRQWPUNEZ-YPMHNXCESA-N 1 1 329.378 0.252 20 5 ECBDMO NS(=O)(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000761023153 579519536 /nfs/dbraw/zinc/51/95/36/579519536.db2.gz SULHRYVXBQEFCH-CYBMUJFWSA-N 1 1 329.378 0.381 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C1 ZINC000762720759 579546970 /nfs/dbraw/zinc/54/69/70/579546970.db2.gz ZNEPNLOWLUIRCT-CYBMUJFWSA-N 1 1 329.303 0.869 20 5 ECBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CCO)CC1 ZINC000739889738 579720986 /nfs/dbraw/zinc/72/09/86/579720986.db2.gz YGKRHNLKGQNFGK-UHFFFAOYSA-N 1 1 348.403 0.991 20 5 ECBDMO CN(CC(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000742508814 579787806 /nfs/dbraw/zinc/78/78/06/579787806.db2.gz WQTOFALWCXJGLR-UHFFFAOYSA-N 1 1 349.391 0.097 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896545521 586250778 /nfs/dbraw/zinc/25/07/78/586250778.db2.gz QOAUWOKTQQOOAC-SMDDNHRTSA-N 1 1 336.392 0.968 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802239412 587014952 /nfs/dbraw/zinc/01/49/52/587014952.db2.gz VHARFTYBCYJLGD-CYBMUJFWSA-N 1 1 339.323 0.912 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802239412 587014954 /nfs/dbraw/zinc/01/49/54/587014954.db2.gz VHARFTYBCYJLGD-CYBMUJFWSA-N 1 1 339.323 0.912 20 5 ECBDMO CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccccc1[N+](=O)[O-] ZINC000814104021 587270256 /nfs/dbraw/zinc/27/02/56/587270256.db2.gz BQNWUJQDFMBXKK-UHFFFAOYSA-N 1 1 348.403 0.938 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824707788 587889433 /nfs/dbraw/zinc/88/94/33/587889433.db2.gz VZTGPAZXNGNZCM-QWRGUYRKSA-N 1 1 347.379 0.666 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000840500040 587985399 /nfs/dbraw/zinc/98/53/99/587985399.db2.gz KBCCKRXKXDQVFB-NSHDSACASA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000840500040 587985400 /nfs/dbraw/zinc/98/54/00/587985400.db2.gz KBCCKRXKXDQVFB-NSHDSACASA-N 1 1 336.348 0.354 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)nc1 ZINC000845840918 589172643 /nfs/dbraw/zinc/17/26/43/589172643.db2.gz NVGOGLIFEOGPST-NWDGAFQWSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc1 ZINC000845840918 589172644 /nfs/dbraw/zinc/17/26/44/589172644.db2.gz NVGOGLIFEOGPST-NWDGAFQWSA-N 1 1 342.377 0.131 20 5 ECBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307348 589287931 /nfs/dbraw/zinc/28/79/31/589287931.db2.gz IJJLMTPAHKFQHO-UONOGXRCSA-N 1 1 345.359 0.222 20 5 ECBDMO CC(C)Oc1nc(NCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000848662292 589305493 /nfs/dbraw/zinc/30/54/93/589305493.db2.gz PYCOXWJCHXLYTG-UHFFFAOYSA-N 1 1 337.380 0.963 20 5 ECBDMO O=c1oc2cccc([N+](=O)[O-])c2n1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853554385 589548004 /nfs/dbraw/zinc/54/80/04/589548004.db2.gz WWWGBKIWVYUEIU-GFCCVEGCSA-N 1 1 348.359 0.867 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868808393 589928261 /nfs/dbraw/zinc/92/82/61/589928261.db2.gz BDLLDFNNEOFXGQ-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000868808393 589928263 /nfs/dbraw/zinc/92/82/63/589928263.db2.gz BDLLDFNNEOFXGQ-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863323896 590003728 /nfs/dbraw/zinc/00/37/28/590003728.db2.gz LQARYMLAQUYXTO-CYBMUJFWSA-N 1 1 333.348 0.127 20 5 ECBDMO C[N@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322677 590003830 /nfs/dbraw/zinc/00/38/30/590003830.db2.gz LOXHPZHSHMQWHP-IFUGULHKSA-N 1 1 348.359 0.685 20 5 ECBDMO C[N@@H+](CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322677 590003833 /nfs/dbraw/zinc/00/38/33/590003833.db2.gz LOXHPZHSHMQWHP-IFUGULHKSA-N 1 1 348.359 0.685 20 5 ECBDMO CCOC(=O)[C@@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC12COC2 ZINC000878659030 590533851 /nfs/dbraw/zinc/53/38/51/590533851.db2.gz YHVXAJCLEFSYBI-LBPRGKRZSA-N 1 1 338.364 0.611 20 5 ECBDMO C[N@@H+](CCO)CCNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000884825340 590930335 /nfs/dbraw/zinc/93/03/35/590930335.db2.gz QSZYIMGSUQBXIU-UHFFFAOYSA-N 1 1 342.371 0.907 20 5 ECBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000925401090 611478584 /nfs/dbraw/zinc/47/85/84/611478584.db2.gz VHVNURPVFFIBGX-LBPRGKRZSA-N 1 1 334.380 0.526 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)[C@@H](CO)C1 ZINC000931405343 611537038 /nfs/dbraw/zinc/53/70/38/611537038.db2.gz IWWRBHVOLBWEQU-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931405343 611537040 /nfs/dbraw/zinc/53/70/40/611537040.db2.gz IWWRBHVOLBWEQU-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](CO)C1 ZINC000931405343 611537041 /nfs/dbraw/zinc/53/70/41/611537041.db2.gz IWWRBHVOLBWEQU-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)[C@@H](CO)C2)c1 ZINC000913553220 609690461 /nfs/dbraw/zinc/69/04/61/609690461.db2.gz DFLOXHZBBLCCAD-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)[C@@H](CO)C2)c1 ZINC000913553220 609690463 /nfs/dbraw/zinc/69/04/63/609690463.db2.gz DFLOXHZBBLCCAD-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054859 609697368 /nfs/dbraw/zinc/69/73/68/609697368.db2.gz KNJDQDUPPAOCSF-VXGBXAGGSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054859 609697369 /nfs/dbraw/zinc/69/73/69/609697369.db2.gz KNJDQDUPPAOCSF-VXGBXAGGSA-N 1 1 325.369 0.612 20 5 ECBDMO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472329 609877133 /nfs/dbraw/zinc/87/71/33/609877133.db2.gz IPNQMSBBXYKDFQ-LKFCYVNXSA-N 1 1 329.303 0.944 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC000911472329 609877134 /nfs/dbraw/zinc/87/71/34/609877134.db2.gz IPNQMSBBXYKDFQ-LKFCYVNXSA-N 1 1 329.303 0.944 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]4COC[C@H]4O3)CC2)cn1 ZINC000929170765 611735142 /nfs/dbraw/zinc/73/51/42/611735142.db2.gz BZVARSPYNINFKC-VHDGCEQUSA-N 1 1 334.376 0.916 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933675909 611740548 /nfs/dbraw/zinc/74/05/48/611740548.db2.gz QHEGVKZINFVLPE-HIFRSBDPSA-N 1 1 337.376 0.884 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933675909 611740549 /nfs/dbraw/zinc/74/05/49/611740549.db2.gz QHEGVKZINFVLPE-HIFRSBDPSA-N 1 1 337.376 0.884 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000090588983 612325762 /nfs/dbraw/zinc/32/57/62/612325762.db2.gz JKWKEZWMIBDSCL-OKILXGFUSA-N 1 1 338.408 0.798 20 5 ECBDMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919849 721847331 /nfs/dbraw/zinc/84/73/31/721847331.db2.gz DJSRLMLEMGZCOQ-NEPJUHHUSA-N 1 1 336.396 0.608 20 5 ECBDMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919849 721847333 /nfs/dbraw/zinc/84/73/33/721847333.db2.gz DJSRLMLEMGZCOQ-NEPJUHHUSA-N 1 1 336.396 0.608 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985420574 747962781 /nfs/dbraw/zinc/96/27/81/747962781.db2.gz NMLDQDFAUFJLEN-UHFFFAOYSA-N 1 1 347.379 0.788 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985420574 747962782 /nfs/dbraw/zinc/96/27/82/747962782.db2.gz NMLDQDFAUFJLEN-UHFFFAOYSA-N 1 1 347.379 0.788 20 5 ECBDMO COc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC000985425751 747976782 /nfs/dbraw/zinc/97/67/82/747976782.db2.gz HYUIVYJWIWERHV-CHWSQXEVSA-N 1 1 338.364 0.771 20 5 ECBDMO COc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000985425751 747976786 /nfs/dbraw/zinc/97/67/86/747976786.db2.gz HYUIVYJWIWERHV-CHWSQXEVSA-N 1 1 338.364 0.771 20 5 ECBDMO COc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000985425751 747976789 /nfs/dbraw/zinc/97/67/89/747976789.db2.gz HYUIVYJWIWERHV-CHWSQXEVSA-N 1 1 338.364 0.771 20 5 ECBDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000982504455 752605052 /nfs/dbraw/zinc/60/50/52/752605052.db2.gz VZBUFDQYRWZUDN-CALCHBBNSA-N 1 1 346.387 0.751 20 5 ECBDMO CCn1nnc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814429 757082335 /nfs/dbraw/zinc/08/23/35/757082335.db2.gz KSVSXEGLWNNJLS-XJFOESAGSA-N 1 1 348.407 0.162 20 5 ECBDMO CCn1nnc(C)c1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814429 757082344 /nfs/dbraw/zinc/08/23/44/757082344.db2.gz KSVSXEGLWNNJLS-XJFOESAGSA-N 1 1 348.407 0.162 20 5 ECBDMO CCn1nnc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814429 757082351 /nfs/dbraw/zinc/08/23/51/757082351.db2.gz KSVSXEGLWNNJLS-XJFOESAGSA-N 1 1 348.407 0.162 20 5 ECBDMO Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c(C)o1 ZINC001048814426 757083215 /nfs/dbraw/zinc/08/32/15/757083215.db2.gz KRACKNZMWJPOQB-QVHKTLOISA-N 1 1 334.376 0.847 20 5 ECBDMO Cn1nnc2cc(C[NH2+][C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc21 ZINC001022063681 758225831 /nfs/dbraw/zinc/22/58/31/758225831.db2.gz GQWAKESXYXDDMO-NWJSVONSSA-N 1 1 344.375 0.370 20 5 ECBDMO COCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022063762 758226904 /nfs/dbraw/zinc/22/69/04/758226904.db2.gz LROCPUBTHNZKSU-RBLKWDMZSA-N 1 1 340.405 0.692 20 5 ECBDMO C/C=C(/C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575363 769161830 /nfs/dbraw/zinc/16/18/30/769161830.db2.gz UKBCJVIZAIJKCZ-KXPQISSRSA-N 1 1 338.408 0.315 20 5 ECBDMO Nc1nccnc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031588388 771351906 /nfs/dbraw/zinc/35/19/06/771351906.db2.gz CPOTZSHAGLETNW-UHFFFAOYSA-N 1 1 342.359 0.829 20 5 ECBDMO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)c1N ZINC001031628768 771528027 /nfs/dbraw/zinc/52/80/27/771528027.db2.gz XLMRWKQNRNBRQC-UHFFFAOYSA-N 1 1 344.375 0.772 20 5 ECBDMO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020139486 772206496 /nfs/dbraw/zinc/20/64/96/772206496.db2.gz ASULRBCZBYGTIQ-KBUPBQIOSA-N 1 1 346.387 0.448 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCCC[NH+](C)C)C1 ZINC001079744135 776788724 /nfs/dbraw/zinc/78/87/24/776788724.db2.gz UDHXKAANPOSYNQ-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079966987 777169692 /nfs/dbraw/zinc/16/96/92/777169692.db2.gz QXHHEBNCZGPKMP-ZIAGYGMSSA-N 1 1 338.408 0.195 20 5 ECBDMO CCN(C(=O)C[N@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079966987 777169700 /nfs/dbraw/zinc/16/97/00/777169700.db2.gz QXHHEBNCZGPKMP-ZIAGYGMSSA-N 1 1 338.408 0.195 20 5 ECBDMO CCN(C(=O)C[N@@H+](C)C1CCC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079966987 777169707 /nfs/dbraw/zinc/16/97/07/777169707.db2.gz QXHHEBNCZGPKMP-ZIAGYGMSSA-N 1 1 338.408 0.195 20 5 ECBDMO CC[NH+](CC)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073013003 789273054 /nfs/dbraw/zinc/27/30/54/789273054.db2.gz MQEWLLZLBKLCAI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000101697435 219158065 /nfs/dbraw/zinc/15/80/65/219158065.db2.gz OYQGGUAGSKHQGW-LLVKDONJSA-N 1 1 338.364 0.860 20 5 ECBDMO COc1cc[nH+]c(N2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])CC2)c1 ZINC000354954421 299171302 /nfs/dbraw/zinc/17/13/02/299171302.db2.gz VDAOXAABZVMPCI-UHFFFAOYSA-N 1 1 346.347 0.992 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598763 219398372 /nfs/dbraw/zinc/39/83/72/219398372.db2.gz DYJUCAVXXJZFGQ-VXGBXAGGSA-N 1 1 339.396 0.715 20 5 ECBDMO COCCC[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000189912792 237392365 /nfs/dbraw/zinc/39/23/65/237392365.db2.gz BJSKPOYWVYWESY-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO COCCC[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000189912792 237392367 /nfs/dbraw/zinc/39/23/67/237392367.db2.gz BJSKPOYWVYWESY-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131357714 223225862 /nfs/dbraw/zinc/22/58/62/223225862.db2.gz RVZNNIJBEIQPRT-ZDUSSCGKSA-N 1 1 339.396 0.535 20 5 ECBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080091176 217277660 /nfs/dbraw/zinc/27/76/60/217277660.db2.gz HHAJMKCFPCJLFO-AWEZNQCLSA-N 1 1 349.435 0.783 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000265198749 247290542 /nfs/dbraw/zinc/29/05/42/247290542.db2.gz JAIXLQPZFBWUMI-ZBFHGGJFSA-N 1 1 340.376 0.808 20 5 ECBDMO CCOC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491491 248329587 /nfs/dbraw/zinc/32/95/87/248329587.db2.gz VMTZWSQCZKUXIO-WCQYABFASA-N 1 1 341.368 0.363 20 5 ECBDMO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000413480594 208333507 /nfs/dbraw/zinc/33/35/07/208333507.db2.gz RRSYTJYVPNOWNX-UHFFFAOYSA-N 1 1 325.369 0.477 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413915229 208376514 /nfs/dbraw/zinc/37/65/14/208376514.db2.gz HFZPKYCZHYYRLS-SNVBAGLBSA-N 1 1 327.362 0.833 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413915229 208376520 /nfs/dbraw/zinc/37/65/20/208376520.db2.gz HFZPKYCZHYYRLS-SNVBAGLBSA-N 1 1 327.362 0.833 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487168039 254832839 /nfs/dbraw/zinc/83/28/39/254832839.db2.gz ZAKDDHLRAJBJRW-CQSZACIVSA-N 1 1 329.303 0.598 20 5 ECBDMO COc1cc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000123919845 296652371 /nfs/dbraw/zinc/65/23/71/296652371.db2.gz PHSFUIUGFWKLMV-UWVGGRQHSA-N 1 1 329.378 0.974 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245889929 165117724 /nfs/dbraw/zinc/11/77/24/165117724.db2.gz FPZPLFGZFMBCRV-UKRRQHHQSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245889929 165117725 /nfs/dbraw/zinc/11/77/25/165117725.db2.gz FPZPLFGZFMBCRV-UKRRQHHQSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248459951 165179044 /nfs/dbraw/zinc/17/90/44/165179044.db2.gz OBNVJJHDLKTWCS-NWDGAFQWSA-N 1 1 325.365 0.648 20 5 ECBDMO COC(=O)[C@@H](C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000248802309 165185743 /nfs/dbraw/zinc/18/57/43/165185743.db2.gz QOEIZRSAJIAUSX-MFKMUULPSA-N 1 1 326.353 0.568 20 5 ECBDMO Cc1cc(=O)n(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123386842 222269364 /nfs/dbraw/zinc/26/93/64/222269364.db2.gz XMJGUWQVUPFMGP-XQQFMLRXSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1cc(=O)n(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123386842 222269365 /nfs/dbraw/zinc/26/93/65/222269365.db2.gz XMJGUWQVUPFMGP-XQQFMLRXSA-N 1 1 325.365 0.535 20 5 ECBDMO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@@H](C)O ZINC000174635784 263150855 /nfs/dbraw/zinc/15/08/55/263150855.db2.gz FXZFZOJUUNSXKQ-VXGBXAGGSA-N 1 1 325.369 0.095 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269683275 263197051 /nfs/dbraw/zinc/19/70/51/263197051.db2.gz YXVYVTITUMXRES-RISCZKNCSA-N 1 1 343.405 0.629 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](NC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000270681034 263262599 /nfs/dbraw/zinc/26/25/99/263262599.db2.gz MORKGQMNNUKKNB-NSHDSACASA-N 1 1 335.364 0.974 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795310 263273543 /nfs/dbraw/zinc/27/35/43/263273543.db2.gz MRZDDZZWMZQYGS-PHIMTYICSA-N 1 1 325.369 0.937 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795310 263273545 /nfs/dbraw/zinc/27/35/45/263273545.db2.gz MRZDDZZWMZQYGS-PHIMTYICSA-N 1 1 325.369 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795310 263273547 /nfs/dbraw/zinc/27/35/47/263273547.db2.gz MRZDDZZWMZQYGS-PHIMTYICSA-N 1 1 325.369 0.937 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284965515 264263879 /nfs/dbraw/zinc/26/38/79/264263879.db2.gz WSEWLLSSSBRMHG-GJZGRUSLSA-N 1 1 334.376 0.599 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285860490 264345508 /nfs/dbraw/zinc/34/55/08/264345508.db2.gz VCIVLDKXYBKFGP-UHFFFAOYSA-N 1 1 325.369 0.748 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(C)CC2)n1 ZINC000286266547 264384553 /nfs/dbraw/zinc/38/45/53/264384553.db2.gz WEMGURCBMDGYRL-UHFFFAOYSA-N 1 1 337.380 0.826 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000286544204 264405137 /nfs/dbraw/zinc/40/51/37/264405137.db2.gz DEHJHLHVJVOBRQ-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375048375 277146910 /nfs/dbraw/zinc/14/69/10/277146910.db2.gz HXXFGTPKUYDGRI-QMTHXVAHSA-N 1 1 340.405 0.773 20 5 ECBDMO NS(=O)(=O)c1ccc(N2CCC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000360466219 437608795 /nfs/dbraw/zinc/60/87/95/437608795.db2.gz KFFIJJYPMCQUKC-NSHDSACASA-N 1 1 340.405 0.917 20 5 ECBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C1CCN(C)CC1 ZINC000332159502 297009982 /nfs/dbraw/zinc/00/99/82/297009982.db2.gz QJUCLCBDNRQDEG-AWEZNQCLSA-N 1 1 336.440 0.892 20 5 ECBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000332159502 297009985 /nfs/dbraw/zinc/00/99/85/297009985.db2.gz QJUCLCBDNRQDEG-AWEZNQCLSA-N 1 1 336.440 0.892 20 5 ECBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000345261157 298136524 /nfs/dbraw/zinc/13/65/24/298136524.db2.gz MUKOQOBNNJMOMZ-UHFFFAOYSA-N 1 1 345.377 0.611 20 5 ECBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000346201681 298238186 /nfs/dbraw/zinc/23/81/86/298238186.db2.gz GJISPCWZWPYUDH-SNVBAGLBSA-N 1 1 325.369 0.721 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000346649076 298311775 /nfs/dbraw/zinc/31/17/75/298311775.db2.gz GJNHWNYCIDXKBF-IATRGZMQSA-N 1 1 349.387 0.920 20 5 ECBDMO CNc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361213562 300073227 /nfs/dbraw/zinc/07/32/27/300073227.db2.gz QZAZTPIPTGEGJT-UHFFFAOYSA-N 1 1 349.391 0.530 20 5 ECBDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364914049 300399576 /nfs/dbraw/zinc/39/95/76/300399576.db2.gz ILOLFZCYRCOPHI-GFCCVEGCSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364914049 300399578 /nfs/dbraw/zinc/39/95/78/300399578.db2.gz ILOLFZCYRCOPHI-GFCCVEGCSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364914051 300399680 /nfs/dbraw/zinc/39/96/80/300399680.db2.gz ILOLFZCYRCOPHI-LBPRGKRZSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000364914051 300399682 /nfs/dbraw/zinc/39/96/82/300399682.db2.gz ILOLFZCYRCOPHI-LBPRGKRZSA-N 1 1 343.405 0.672 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000069902715 435974048 /nfs/dbraw/zinc/97/40/48/435974048.db2.gz XLYLJMYPIKNLTB-UHFFFAOYSA-N 1 1 334.332 0.094 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000070449474 435986574 /nfs/dbraw/zinc/98/65/74/435986574.db2.gz ZQNMVAMWVFKBNE-LLVKDONJSA-N 1 1 334.376 0.924 20 5 ECBDMO CNS(=O)(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664986 436052835 /nfs/dbraw/zinc/05/28/35/436052835.db2.gz NPSGAEXTGPCWIY-NSHDSACASA-N 1 1 343.409 0.415 20 5 ECBDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1C ZINC000074356433 436123480 /nfs/dbraw/zinc/12/34/80/436123480.db2.gz LZLRHOGWXFBUIE-UHFFFAOYSA-N 1 1 339.377 0.873 20 5 ECBDMO COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373235379 301053351 /nfs/dbraw/zinc/05/33/51/301053351.db2.gz ZDRRXFLKNKUCAU-SNVBAGLBSA-N 1 1 339.352 0.106 20 5 ECBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)c1 ZINC000373584358 301068882 /nfs/dbraw/zinc/06/88/82/301068882.db2.gz LAGNBIVJCVEZEU-UKRRQHHQSA-N 1 1 339.396 0.121 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494101 301180376 /nfs/dbraw/zinc/18/03/76/301180376.db2.gz FDLGPQQFSCBYMF-NSHDSACASA-N 1 1 347.375 1.000 20 5 ECBDMO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494101 301180379 /nfs/dbraw/zinc/18/03/79/301180379.db2.gz FDLGPQQFSCBYMF-NSHDSACASA-N 1 1 347.375 1.000 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494101 301180381 /nfs/dbraw/zinc/18/03/81/301180381.db2.gz FDLGPQQFSCBYMF-NSHDSACASA-N 1 1 347.375 1.000 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000044687867 436345368 /nfs/dbraw/zinc/34/53/68/436345368.db2.gz IHGHVKGJOHCKJV-RYUDHWBXSA-N 1 1 339.396 0.795 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048245628 436445181 /nfs/dbraw/zinc/44/51/81/436445181.db2.gz JFXFQWGPRDEBAI-CYBMUJFWSA-N 1 1 330.348 0.577 20 5 ECBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000104102462 436557898 /nfs/dbraw/zinc/55/78/98/436557898.db2.gz ILRIAZQBLDBHIP-UHFFFAOYSA-N 1 1 344.437 0.709 20 5 ECBDMO NC(=O)[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000104680316 436560690 /nfs/dbraw/zinc/56/06/90/436560690.db2.gz XRLPJJKAVAPIPN-CQSZACIVSA-N 1 1 346.343 0.978 20 5 ECBDMO NC(=O)[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000104680316 436560691 /nfs/dbraw/zinc/56/06/91/436560691.db2.gz XRLPJJKAVAPIPN-CQSZACIVSA-N 1 1 346.343 0.978 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000106401739 436594393 /nfs/dbraw/zinc/59/43/93/436594393.db2.gz ISXUGQPKUYAJDQ-UHFFFAOYSA-N 1 1 325.369 0.165 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000106402004 436594493 /nfs/dbraw/zinc/59/44/93/436594493.db2.gz MUFMADICBZBFMF-UHFFFAOYSA-N 1 1 347.375 1.000 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000107300788 436609618 /nfs/dbraw/zinc/60/96/18/436609618.db2.gz ZUCAHQBWUDDZCP-GFCCVEGCSA-N 1 1 328.394 0.600 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000107300788 436609621 /nfs/dbraw/zinc/60/96/21/436609621.db2.gz ZUCAHQBWUDDZCP-GFCCVEGCSA-N 1 1 328.394 0.600 20 5 ECBDMO Cc1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000269359333 436663848 /nfs/dbraw/zinc/66/38/48/436663848.db2.gz KBCDOPHOBIJZAL-NSHDSACASA-N 1 1 325.369 0.593 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139571795 436666698 /nfs/dbraw/zinc/66/66/98/436666698.db2.gz WDHQTTMLVAKVDJ-ZDUSSCGKSA-N 1 1 348.407 0.916 20 5 ECBDMO COCC[N@H+]1CC[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273502891 436760949 /nfs/dbraw/zinc/76/09/49/436760949.db2.gz SGVXSNZBVGSVCV-JTQLQIEISA-N 1 1 344.393 0.375 20 5 ECBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000156742248 436821475 /nfs/dbraw/zinc/82/14/75/436821475.db2.gz RZQXQYZNMBIJNV-GFCCVEGCSA-N 1 1 334.376 0.994 20 5 ECBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273583288 436768849 /nfs/dbraw/zinc/76/88/49/436768849.db2.gz GCPNWAYYIDZGAK-UHFFFAOYSA-N 1 1 336.396 0.765 20 5 ECBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273583288 436768850 /nfs/dbraw/zinc/76/88/50/436768850.db2.gz GCPNWAYYIDZGAK-UHFFFAOYSA-N 1 1 336.396 0.765 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000155682098 436800294 /nfs/dbraw/zinc/80/02/94/436800294.db2.gz WTHRZJBIMWJTAM-ZDUSSCGKSA-N 1 1 329.378 0.597 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000155682098 436800297 /nfs/dbraw/zinc/80/02/97/436800297.db2.gz WTHRZJBIMWJTAM-ZDUSSCGKSA-N 1 1 329.378 0.597 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000249584186 436825010 /nfs/dbraw/zinc/82/50/10/436825010.db2.gz SIVLQJHCPUSABC-BZPMIXESSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000249584186 436825013 /nfs/dbraw/zinc/82/50/13/436825013.db2.gz SIVLQJHCPUSABC-BZPMIXESSA-N 1 1 337.376 0.920 20 5 ECBDMO COCC[NH+]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000171099493 436966997 /nfs/dbraw/zinc/96/69/97/436966997.db2.gz UYFOVVLBOJLCKE-UHFFFAOYSA-N 1 1 339.396 0.589 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000275460475 436971815 /nfs/dbraw/zinc/97/18/15/436971815.db2.gz YVDFXBQVAZUTNV-RYUDHWBXSA-N 1 1 336.392 0.846 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280935528 436935676 /nfs/dbraw/zinc/93/56/76/436935676.db2.gz HLJYWYCVPBJXAD-HZPDHXFCSA-N 1 1 347.375 0.838 20 5 ECBDMO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000263911042 437000914 /nfs/dbraw/zinc/00/09/14/437000914.db2.gz KRFOQTKLNRRVGZ-JTQLQIEISA-N 1 1 338.364 0.998 20 5 ECBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000263911042 437000918 /nfs/dbraw/zinc/00/09/18/437000918.db2.gz KRFOQTKLNRRVGZ-JTQLQIEISA-N 1 1 338.364 0.998 20 5 ECBDMO C[N@@H+](CC(=O)Nc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173486330 437052271 /nfs/dbraw/zinc/05/22/71/437052271.db2.gz BASGFHJCUMMTTF-AWEZNQCLSA-N 1 1 333.348 0.723 20 5 ECBDMO C[N@H+](CC(=O)Nc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173486330 437052274 /nfs/dbraw/zinc/05/22/74/437052274.db2.gz BASGFHJCUMMTTF-AWEZNQCLSA-N 1 1 333.348 0.723 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCSCC1 ZINC000264834548 437090718 /nfs/dbraw/zinc/09/07/18/437090718.db2.gz VETLYJGHFJPLED-UHFFFAOYSA-N 1 1 346.434 0.703 20 5 ECBDMO Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264862595 437097295 /nfs/dbraw/zinc/09/72/95/437097295.db2.gz FIBZDWUPGYLIDN-LBPRGKRZSA-N 1 1 338.412 0.628 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301210491 437115701 /nfs/dbraw/zinc/11/57/01/437115701.db2.gz SSQMNQOYAVFTDD-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000277896707 437261419 /nfs/dbraw/zinc/26/14/19/437261419.db2.gz DUHSODXWKNGBOH-ZDUSSCGKSA-N 1 1 334.376 0.973 20 5 ECBDMO NC(=O)c1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000267098036 437289336 /nfs/dbraw/zinc/28/93/36/437289336.db2.gz SKOJNZGGSZBQFH-UHFFFAOYSA-N 1 1 344.375 0.712 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180528897 437290976 /nfs/dbraw/zinc/29/09/76/437290976.db2.gz WIQYCHBBXZGVTI-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000184070259 437396779 /nfs/dbraw/zinc/39/67/79/437396779.db2.gz KDKMFMRLYVIXJB-LBPRGKRZSA-N 1 1 335.408 0.933 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184099607 437400044 /nfs/dbraw/zinc/40/00/44/437400044.db2.gz SMQKYNSMDLYTAM-CQSZACIVSA-N 1 1 340.380 0.281 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184346610 437400724 /nfs/dbraw/zinc/40/07/24/437400724.db2.gz SFQDODCRXWKNFZ-GFCCVEGCSA-N 1 1 338.412 0.242 20 5 ECBDMO CCC1(CC)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000185251607 437433380 /nfs/dbraw/zinc/43/33/80/437433380.db2.gz ADTAVTAYIVFJKT-NPMABZOXSA-N 1 1 344.437 0.775 20 5 ECBDMO CCC1(CC)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@@]1=O ZINC000185251607 437433381 /nfs/dbraw/zinc/43/33/81/437433381.db2.gz ADTAVTAYIVFJKT-NPMABZOXSA-N 1 1 344.437 0.775 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188694468 437562292 /nfs/dbraw/zinc/56/22/92/437562292.db2.gz RESIMIJDFOLBOX-NSHDSACASA-N 1 1 339.396 0.403 20 5 ECBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188710709 437565677 /nfs/dbraw/zinc/56/56/77/437565677.db2.gz PTZTVHHQYZXTRV-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188710709 437565682 /nfs/dbraw/zinc/56/56/82/437565682.db2.gz PTZTVHHQYZXTRV-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000190869755 437640952 /nfs/dbraw/zinc/64/09/52/437640952.db2.gz WQSMFTCUKXLSRW-RYUDHWBXSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](C)CO ZINC000190869755 437640969 /nfs/dbraw/zinc/64/09/69/437640969.db2.gz WQSMFTCUKXLSRW-RYUDHWBXSA-N 1 1 337.376 0.548 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000355341834 437699079 /nfs/dbraw/zinc/69/90/79/437699079.db2.gz YHCPVSZDEKPLJA-VIFPVBQESA-N 1 1 333.352 0.530 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000355341834 437699083 /nfs/dbraw/zinc/69/90/83/437699083.db2.gz YHCPVSZDEKPLJA-VIFPVBQESA-N 1 1 333.352 0.530 20 5 ECBDMO CCOC(=O)[C@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568180 437806034 /nfs/dbraw/zinc/80/60/34/437806034.db2.gz GZGQLRPCTSTLCX-ZIAGYGMSSA-N 1 1 340.380 0.960 20 5 ECBDMO CCOC(=O)[C@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568180 437806037 /nfs/dbraw/zinc/80/60/37/437806037.db2.gz GZGQLRPCTSTLCX-ZIAGYGMSSA-N 1 1 340.380 0.960 20 5 ECBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000364965248 437833859 /nfs/dbraw/zinc/83/38/59/437833859.db2.gz TZCSYDNUIAMTAQ-AWEZNQCLSA-N 1 1 336.396 0.228 20 5 ECBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000364965248 437833865 /nfs/dbraw/zinc/83/38/65/437833865.db2.gz TZCSYDNUIAMTAQ-AWEZNQCLSA-N 1 1 336.396 0.228 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000347525191 437905409 /nfs/dbraw/zinc/90/54/09/437905409.db2.gz PHDKMWYXNLXWKC-GFCCVEGCSA-N 1 1 338.412 0.332 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416289932 437906907 /nfs/dbraw/zinc/90/69/07/437906907.db2.gz GCTMMSFWCSEOMB-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416289932 437906910 /nfs/dbraw/zinc/90/69/10/437906910.db2.gz GCTMMSFWCSEOMB-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416303201 437912733 /nfs/dbraw/zinc/91/27/33/437912733.db2.gz XMKYGAYSTNITGO-WDEREUQCSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416303201 437912740 /nfs/dbraw/zinc/91/27/40/437912740.db2.gz XMKYGAYSTNITGO-WDEREUQCSA-N 1 1 325.369 0.013 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000371567592 437958894 /nfs/dbraw/zinc/95/88/94/437958894.db2.gz BYOZIUZCAXVUBX-JSGCOSHPSA-N 1 1 334.376 0.848 20 5 ECBDMO O=C1NC(=O)[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]12 ZINC000366305979 438049698 /nfs/dbraw/zinc/04/96/98/438049698.db2.gz FAJMMDOIWLQZIV-QWRGUYRKSA-N 1 1 334.288 0.598 20 5 ECBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]12 ZINC000366305979 438049700 /nfs/dbraw/zinc/04/97/00/438049700.db2.gz FAJMMDOIWLQZIV-QWRGUYRKSA-N 1 1 334.288 0.598 20 5 ECBDMO C[C@@H](O)COC(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653648 438110037 /nfs/dbraw/zinc/11/00/37/438110037.db2.gz MTBVYNMGEFIWKE-NEPJUHHUSA-N 1 1 326.353 0.742 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000373547126 438156586 /nfs/dbraw/zinc/15/65/86/438156586.db2.gz RZMKVDUEIZZEPW-YQQAZPJKSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373547126 438156588 /nfs/dbraw/zinc/15/65/88/438156588.db2.gz RZMKVDUEIZZEPW-YQQAZPJKSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373547126 438156593 /nfs/dbraw/zinc/15/65/93/438156593.db2.gz RZMKVDUEIZZEPW-YQQAZPJKSA-N 1 1 333.388 0.747 20 5 ECBDMO C[N@H+](CCN1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000358465260 438231192 /nfs/dbraw/zinc/23/11/92/438231192.db2.gz ZVOFHAXXMYYXJH-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@@H+](CCN1CCOCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000358465260 438231194 /nfs/dbraw/zinc/23/11/94/438231194.db2.gz ZVOFHAXXMYYXJH-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000351558693 438288503 /nfs/dbraw/zinc/28/85/03/438288503.db2.gz NCALAWBPVHPBFL-UHFFFAOYSA-N 1 1 331.336 0.268 20 5 ECBDMO COc1cc(C[N@@H+]2CCC[C@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000434792185 438326425 /nfs/dbraw/zinc/32/64/25/438326425.db2.gz GPMXYEQPXUZGCE-OAHLLOKOSA-N 1 1 334.332 0.777 20 5 ECBDMO COc1cc(C[N@H+]2CCC[C@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000434792185 438326432 /nfs/dbraw/zinc/32/64/32/438326432.db2.gz GPMXYEQPXUZGCE-OAHLLOKOSA-N 1 1 334.332 0.777 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000352361644 438412640 /nfs/dbraw/zinc/41/26/40/438412640.db2.gz LAOOVOIMYIBJNT-KBPBESRZSA-N 1 1 326.353 0.034 20 5 ECBDMO Cc1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000405726495 438470412 /nfs/dbraw/zinc/47/04/12/438470412.db2.gz VRZHQTPUBBKYHT-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000405726495 438470416 /nfs/dbraw/zinc/47/04/16/438470416.db2.gz VRZHQTPUBBKYHT-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000438284165 438475038 /nfs/dbraw/zinc/47/50/38/438475038.db2.gz YGWDRKDYNDPOAK-GRYCIOLGSA-N 1 1 337.380 0.950 20 5 ECBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408033846 438494165 /nfs/dbraw/zinc/49/41/65/438494165.db2.gz QGVUKLWMXQFWRD-MRXNPFEDSA-N 1 1 330.388 0.869 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439160798 438500736 /nfs/dbraw/zinc/50/07/36/438500736.db2.gz VMBPGXGHQMHFBY-UHFFFAOYSA-N 1 1 336.392 0.977 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369782039 438514524 /nfs/dbraw/zinc/51/45/24/438514524.db2.gz KZFPAZDMCSBARE-UKRRQHHQSA-N 1 1 334.380 0.903 20 5 ECBDMO O=C1CNC(=O)N1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440507036 438553835 /nfs/dbraw/zinc/55/38/35/438553835.db2.gz SHRQBJIDTRIONK-NSHDSACASA-N 1 1 348.363 0.418 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000408470628 438578346 /nfs/dbraw/zinc/57/83/46/438578346.db2.gz RCYOBTABASPETO-ZDUSSCGKSA-N 1 1 337.355 0.872 20 5 ECBDMO COC[C@@]1(CO)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000451929005 438616619 /nfs/dbraw/zinc/61/66/19/438616619.db2.gz LOFMATTWXIGRRU-KRWDZBQOSA-N 1 1 349.387 0.815 20 5 ECBDMO COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000451929005 438616622 /nfs/dbraw/zinc/61/66/22/438616622.db2.gz LOFMATTWXIGRRU-KRWDZBQOSA-N 1 1 349.387 0.815 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000494705594 438705378 /nfs/dbraw/zinc/70/53/78/438705378.db2.gz XNJXVJUUFSZRFJ-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000494705594 438705382 /nfs/dbraw/zinc/70/53/82/438705382.db2.gz XNJXVJUUFSZRFJ-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCN1C ZINC000414974397 438725510 /nfs/dbraw/zinc/72/55/10/438725510.db2.gz KFFXETRAQNOCMB-WFASDCNBSA-N 1 1 335.408 0.805 20 5 ECBDMO CNc1nc(C(=O)NCC[N@@H+](C)CCCOC)ccc1[N+](=O)[O-] ZINC000455746766 438752308 /nfs/dbraw/zinc/75/23/08/438752308.db2.gz AWJLLIFEOXDMSS-UHFFFAOYSA-N 1 1 325.369 0.730 20 5 ECBDMO Cn1cc([C@H](CO)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000494799580 438709490 /nfs/dbraw/zinc/70/94/90/438709490.db2.gz KJQVZCVULGQSND-CABCVRRESA-N 1 1 345.359 0.757 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH+](CCCO)CC1 ZINC000601109845 438817246 /nfs/dbraw/zinc/81/72/46/438817246.db2.gz UCNOIXQXUAEKNW-UHFFFAOYSA-N 1 1 337.302 0.852 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304638 438830449 /nfs/dbraw/zinc/83/04/49/438830449.db2.gz LRMANPRAUQTUGH-MFKMUULPSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304638 438830451 /nfs/dbraw/zinc/83/04/51/438830451.db2.gz LRMANPRAUQTUGH-MFKMUULPSA-N 1 1 346.343 0.424 20 5 ECBDMO COc1ccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000590399600 438918446 /nfs/dbraw/zinc/91/84/46/438918446.db2.gz KHFCWTGECDGBPJ-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596179900 438936479 /nfs/dbraw/zinc/93/64/79/438936479.db2.gz UYFYORSLENWNAR-UWVGGRQHSA-N 1 1 328.394 0.771 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537892 438974052 /nfs/dbraw/zinc/97/40/52/438974052.db2.gz JHTAKDFVIXGICT-LBPRGKRZSA-N 1 1 335.364 0.124 20 5 ECBDMO CNC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537214 438974065 /nfs/dbraw/zinc/97/40/65/438974065.db2.gz CQYBRQSXGOFHDG-CQSZACIVSA-N 1 1 348.403 0.990 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1COC[C@H]1OC ZINC000459827468 439009530 /nfs/dbraw/zinc/00/95/30/439009530.db2.gz NLOXAOJWESMAPU-LJWDBELGSA-N 1 1 339.348 0.934 20 5 ECBDMO Cn1cc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602485249 439098930 /nfs/dbraw/zinc/09/89/30/439098930.db2.gz QSRVEIPELFRXFW-CYBMUJFWSA-N 1 1 336.396 0.067 20 5 ECBDMO NC(=O)c1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000591752167 439081170 /nfs/dbraw/zinc/08/11/70/439081170.db2.gz ZDHBNXHZKSUXOL-SNVBAGLBSA-N 1 1 336.304 0.211 20 5 ECBDMO COc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597623600 439139945 /nfs/dbraw/zinc/13/99/45/439139945.db2.gz BJZYTEAEMZPBKL-GFCCVEGCSA-N 1 1 334.376 0.723 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000602906922 439156796 /nfs/dbraw/zinc/15/67/96/439156796.db2.gz VAMYAFYFNHRJBJ-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000602906922 439156797 /nfs/dbraw/zinc/15/67/97/439156797.db2.gz VAMYAFYFNHRJBJ-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000597694200 439162339 /nfs/dbraw/zinc/16/23/39/439162339.db2.gz JUFFXHZZUGLBNF-AAEUAGOBSA-N 1 1 337.380 0.746 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597993157 439210237 /nfs/dbraw/zinc/21/02/37/439210237.db2.gz ZSZMIDFDMRTQSO-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000597993157 439210240 /nfs/dbraw/zinc/21/02/40/439210240.db2.gz ZSZMIDFDMRTQSO-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000597993157 439210246 /nfs/dbraw/zinc/21/02/46/439210246.db2.gz ZSZMIDFDMRTQSO-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH2+]Cc2ccccc21 ZINC000592467946 439233816 /nfs/dbraw/zinc/23/38/16/439233816.db2.gz GFCAPVHRXVMAJV-UHFFFAOYSA-N 1 1 328.328 0.893 20 5 ECBDMO COCC[N@@H+](Cc1ccnn1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000489865213 439244271 /nfs/dbraw/zinc/24/42/71/439244271.db2.gz WEBUKELTHZFABS-AWEZNQCLSA-N 1 1 338.368 0.034 20 5 ECBDMO COCC[N@H+](Cc1ccnn1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000489865213 439244276 /nfs/dbraw/zinc/24/42/76/439244276.db2.gz WEBUKELTHZFABS-AWEZNQCLSA-N 1 1 338.368 0.034 20 5 ECBDMO COC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593067090 439336515 /nfs/dbraw/zinc/33/65/15/439336515.db2.gz STSSMLYGZWSPLB-UPJWGTAASA-N 1 1 326.349 0.416 20 5 ECBDMO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085743 439353180 /nfs/dbraw/zinc/35/31/80/439353180.db2.gz BDAMMFMQQKTIQG-JTQLQIEISA-N 1 1 328.394 0.736 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CCC(C[NH+](C)C)CC2)n1 ZINC000599264260 439407429 /nfs/dbraw/zinc/40/74/29/439407429.db2.gz RKNYQVJOUARCNA-UHFFFAOYSA-N 1 1 345.425 0.727 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245640 439398158 /nfs/dbraw/zinc/39/81/58/439398158.db2.gz VOOVPKPQBRFCNG-ZJUUUORDSA-N 1 1 331.398 0.289 20 5 ECBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288322 439417917 /nfs/dbraw/zinc/41/79/17/439417917.db2.gz RFMUFDIJXHNQGP-WDEREUQCSA-N 1 1 345.425 0.727 20 5 ECBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599329294 439435357 /nfs/dbraw/zinc/43/53/57/439435357.db2.gz HJKZAWJHCIDHJS-JTQLQIEISA-N 1 1 331.398 0.432 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000599414487 439460998 /nfs/dbraw/zinc/46/09/98/439460998.db2.gz FIRMGSAFTOGQPR-NSHDSACASA-N 1 1 345.425 0.821 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853023 439476918 /nfs/dbraw/zinc/47/69/18/439476918.db2.gz ANTKFGXOICXMAL-SNVBAGLBSA-N 1 1 335.316 0.215 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853023 439476922 /nfs/dbraw/zinc/47/69/22/439476922.db2.gz ANTKFGXOICXMAL-SNVBAGLBSA-N 1 1 335.316 0.215 20 5 ECBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854772 439478827 /nfs/dbraw/zinc/47/88/27/439478827.db2.gz DISJAOAXSYHZQX-LLVKDONJSA-N 1 1 330.344 0.967 20 5 ECBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854772 439478833 /nfs/dbraw/zinc/47/88/33/439478833.db2.gz DISJAOAXSYHZQX-LLVKDONJSA-N 1 1 330.344 0.967 20 5 ECBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644587 439526044 /nfs/dbraw/zinc/52/60/44/439526044.db2.gz KPWVWKZWBURZKA-BJHJDKERSA-N 1 1 332.360 0.680 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000599645095 439527339 /nfs/dbraw/zinc/52/73/39/439527339.db2.gz PAWSEQUJIIPVED-AOOOYVTPSA-N 1 1 336.348 0.738 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000599645095 439527343 /nfs/dbraw/zinc/52/73/43/439527343.db2.gz PAWSEQUJIIPVED-AOOOYVTPSA-N 1 1 336.348 0.738 20 5 ECBDMO CN(CC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000594393814 439554658 /nfs/dbraw/zinc/55/46/58/439554658.db2.gz RAKGLUBNFVCBMV-QWHCGFSZSA-N 1 1 334.376 0.308 20 5 ECBDMO [NH3+][C@@H]1CCC[C@@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594582748 439579481 /nfs/dbraw/zinc/57/94/81/439579481.db2.gz BETRFRJDIUCMLP-VXGBXAGGSA-N 1 1 342.421 0.733 20 5 ECBDMO CC(C)NC(=O)c1ccc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000594603010 439582486 /nfs/dbraw/zinc/58/24/86/439582486.db2.gz HCHWYJFPRHUIPT-UONOGXRCSA-N 1 1 348.403 0.988 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265105 439608117 /nfs/dbraw/zinc/60/81/17/439608117.db2.gz PFTAFYDIZHYHQJ-WDEREUQCSA-N 1 1 328.394 0.951 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000610387334 439612051 /nfs/dbraw/zinc/61/20/51/439612051.db2.gz CZKZGYNFZTVPJA-UHFFFAOYSA-N 1 1 334.376 0.370 20 5 ECBDMO CC[N@H+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H]1C ZINC000611084779 439671764 /nfs/dbraw/zinc/67/17/64/439671764.db2.gz SHSNMLVCLALCQH-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600532614 439674723 /nfs/dbraw/zinc/67/47/23/439674723.db2.gz NYVBLYCVQWYDQG-OAHLLOKOSA-N 1 1 345.359 0.577 20 5 ECBDMO C[NH+]1CCN(CC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000618268120 440093110 /nfs/dbraw/zinc/09/31/10/440093110.db2.gz DCYVLRTXERAYKD-UHFFFAOYSA-N 1 1 332.364 0.335 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342373004 321087250 /nfs/dbraw/zinc/08/72/50/321087250.db2.gz VSJIBZWCMWPLDY-NEPJUHHUSA-N 1 1 338.364 0.338 20 5 ECBDMO O=C(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)NCC1CC1 ZINC000568503355 322630226 /nfs/dbraw/zinc/63/02/26/322630226.db2.gz SIDAKHWGGXVWBP-UHFFFAOYSA-N 1 1 341.389 0.484 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nnc2n1CCC2 ZINC000576220588 322803425 /nfs/dbraw/zinc/80/34/25/322803425.db2.gz WVOHPLRYTQEYNY-NSHDSACASA-N 1 1 333.348 0.662 20 5 ECBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181940073 534360110 /nfs/dbraw/zinc/36/01/10/534360110.db2.gz HBRAQHCPSXDJSP-OLZOCXBDSA-N 1 1 337.376 0.922 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211723 534480577 /nfs/dbraw/zinc/48/05/77/534480577.db2.gz OBMQFURFZRGHFQ-CYBMUJFWSA-N 1 1 348.403 0.848 20 5 ECBDMO NC(=O)c1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211723 534480581 /nfs/dbraw/zinc/48/05/81/534480581.db2.gz OBMQFURFZRGHFQ-CYBMUJFWSA-N 1 1 348.403 0.848 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000153689201 527783668 /nfs/dbraw/zinc/78/36/68/527783668.db2.gz MTFJHYDMFVYWFU-LLVKDONJSA-N 1 1 325.369 0.891 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000153689201 527783672 /nfs/dbraw/zinc/78/36/72/527783672.db2.gz MTFJHYDMFVYWFU-LLVKDONJSA-N 1 1 325.369 0.891 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000183932957 528546147 /nfs/dbraw/zinc/54/61/47/528546147.db2.gz POGHUQWCEDNNGC-UHFFFAOYSA-N 1 1 340.336 0.855 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000183980728 528550726 /nfs/dbraw/zinc/55/07/26/528550726.db2.gz WZSITVAUCGXASF-UHFFFAOYSA-N 1 1 347.375 0.825 20 5 ECBDMO CCOC(=O)N[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159746859 529105458 /nfs/dbraw/zinc/10/54/58/529105458.db2.gz RDCBSDIKTPMGPY-LBPRGKRZSA-N 1 1 338.364 0.967 20 5 ECBDMO CCOC(=O)N[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159746859 529105460 /nfs/dbraw/zinc/10/54/60/529105460.db2.gz RDCBSDIKTPMGPY-LBPRGKRZSA-N 1 1 338.364 0.967 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251993 546310991 /nfs/dbraw/zinc/31/09/91/546310991.db2.gz DFWWARKEIIPWHZ-VXGBXAGGSA-N 1 1 325.344 0.744 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000784469811 578752641 /nfs/dbraw/zinc/75/26/41/578752641.db2.gz YSFWJXHAFDZXKD-JTQLQIEISA-N 1 1 339.352 0.038 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837187442 588944856 /nfs/dbraw/zinc/94/48/56/588944856.db2.gz DLQDCYFWAWVABH-LBPRGKRZSA-N 1 1 347.375 0.470 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000837187442 588944858 /nfs/dbraw/zinc/94/48/58/588944858.db2.gz DLQDCYFWAWVABH-LBPRGKRZSA-N 1 1 347.375 0.470 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000818630587 587442187 /nfs/dbraw/zinc/44/21/87/587442187.db2.gz JWVXAJFJRZMPQS-UHFFFAOYSA-N 1 1 335.364 0.833 20 5 ECBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1C[N@H+](C)CCO1 ZINC000820461304 587534935 /nfs/dbraw/zinc/53/49/35/587534935.db2.gz GZPHAODNLXZOHE-RNCFNFMXSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1C[N@@H+](C)CCO1 ZINC000820461304 587534936 /nfs/dbraw/zinc/53/49/36/587534936.db2.gz GZPHAODNLXZOHE-RNCFNFMXSA-N 1 1 333.352 0.906 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C1CC1 ZINC000821595090 587604206 /nfs/dbraw/zinc/60/42/06/587604206.db2.gz MIOFLOQXYNICLZ-NSHDSACASA-N 1 1 334.336 0.609 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000822860989 587685451 /nfs/dbraw/zinc/68/54/51/587685451.db2.gz HKFDGZKBLPBPFD-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000824707127 587888970 /nfs/dbraw/zinc/88/89/70/587888970.db2.gz NXJNWPORHQKRHF-MNOVXSKESA-N 1 1 347.379 0.666 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825410966 587938658 /nfs/dbraw/zinc/93/86/58/587938658.db2.gz BWMMFEHWCCFBEU-HNNXBMFYSA-N 1 1 337.376 0.809 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825745973 587958874 /nfs/dbraw/zinc/95/88/74/587958874.db2.gz ANBUVHKTVBDKLP-CQSZACIVSA-N 1 1 337.376 0.543 20 5 ECBDMO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1CC[NH+]1CCCC1 ZINC000830082672 588360048 /nfs/dbraw/zinc/36/00/48/588360048.db2.gz NFVJGNSJSRFATM-UHFFFAOYSA-N 1 1 325.346 0.835 20 5 ECBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846515038 589208653 /nfs/dbraw/zinc/20/86/53/589208653.db2.gz GPGYILBNEACIPF-SNVBAGLBSA-N 1 1 349.372 0.491 20 5 ECBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846515038 589208654 /nfs/dbraw/zinc/20/86/54/589208654.db2.gz GPGYILBNEACIPF-SNVBAGLBSA-N 1 1 349.372 0.491 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853063895 589530640 /nfs/dbraw/zinc/53/06/40/589530640.db2.gz DANHEEDAISEYCV-QMMMGPOBSA-N 1 1 337.174 0.493 20 5 ECBDMO C[NH+]1CCN(CC2CN(c3cc(F)c([N+](=O)[O-])cc3CO)C2)CC1 ZINC000865915254 589706561 /nfs/dbraw/zinc/70/65/61/589706561.db2.gz CFEOLNHFSUNBQY-UHFFFAOYSA-N 1 1 338.383 0.910 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119854106 590056064 /nfs/dbraw/zinc/05/60/64/590056064.db2.gz IWXOJQYAUUQHDN-UHFFFAOYSA-N 1 1 337.423 0.903 20 5 ECBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC1CN(S(C)(=O)=O)C1 ZINC000930441659 611373317 /nfs/dbraw/zinc/37/33/17/611373317.db2.gz SFOYCPRNFAIKCB-UHFFFAOYSA-N 1 1 327.406 0.961 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000924993526 611447058 /nfs/dbraw/zinc/44/70/58/611447058.db2.gz LRSXPQMDIKVWAS-KGLIPLIRSA-N 1 1 348.403 0.990 20 5 ECBDMO CC(C)(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC000941406548 610721806 /nfs/dbraw/zinc/72/18/06/610721806.db2.gz BWTLRZSXLBKBDG-HUUCEWRRSA-N 1 1 338.452 0.916 20 5 ECBDMO O=C(N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c[nH+]cn2c1 ZINC000973256743 738990789 /nfs/dbraw/zinc/99/07/89/738990789.db2.gz VPAZHKLQWACQEH-HBJVGIJOSA-N 1 1 343.343 0.377 20 5 ECBDMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025763195 739928481 /nfs/dbraw/zinc/92/84/81/739928481.db2.gz NESQPORWUAPNRH-NHAGDIPZSA-N 1 1 342.359 0.584 20 5 ECBDMO CCc1onc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778034 739936213 /nfs/dbraw/zinc/93/62/13/739936213.db2.gz PIBWZOISUHWWND-APACUCGBSA-N 1 1 334.376 0.757 20 5 ECBDMO CCc1onc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025778034 739936216 /nfs/dbraw/zinc/93/62/16/739936216.db2.gz PIBWZOISUHWWND-APACUCGBSA-N 1 1 334.376 0.757 20 5 ECBDMO CCc1onc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025778034 739936218 /nfs/dbraw/zinc/93/62/18/739936218.db2.gz PIBWZOISUHWWND-APACUCGBSA-N 1 1 334.376 0.757 20 5 ECBDMO O=C(N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c[nH+]cn2c1 ZINC000974116745 740959561 /nfs/dbraw/zinc/95/95/61/740959561.db2.gz VPAZHKLQWACQEH-ZMJPVWNMSA-N 1 1 343.343 0.377 20 5 ECBDMO C[N@@H+]1CCc2c(NC3CN(S(C)(=O)=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001168225042 751945434 /nfs/dbraw/zinc/94/54/34/751945434.db2.gz NKPJSCBGENRZRU-UHFFFAOYSA-N 1 1 340.405 0.638 20 5 ECBDMO C[N@H+]1CCc2c(NC3CN(S(C)(=O)=O)C3)ccc([N+](=O)[O-])c2C1 ZINC001168225042 751945439 /nfs/dbraw/zinc/94/54/39/751945439.db2.gz NKPJSCBGENRZRU-UHFFFAOYSA-N 1 1 340.405 0.638 20 5 ECBDMO C[NH+]1CCC(C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000978981691 746991021 /nfs/dbraw/zinc/99/10/21/746991021.db2.gz OXJSOHHEROXAFM-YXCITZCRSA-N 1 1 338.408 0.004 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001020904168 752316206 /nfs/dbraw/zinc/31/62/06/752316206.db2.gz PCMHDZLIYKASLO-HAQNSBGRSA-N 1 1 330.348 0.692 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC000989978086 754616116 /nfs/dbraw/zinc/61/61/16/754616116.db2.gz JGWCAKMBIRAONS-UHFFFAOYSA-N 1 1 333.352 0.446 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001048807010 757059416 /nfs/dbraw/zinc/05/94/16/757059416.db2.gz MEVYOBCXMMKTJJ-PHIMTYICSA-N 1 1 345.363 0.255 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001048807010 757059424 /nfs/dbraw/zinc/05/94/24/757059424.db2.gz MEVYOBCXMMKTJJ-PHIMTYICSA-N 1 1 345.363 0.255 20 5 ECBDMO COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996428774 757654943 /nfs/dbraw/zinc/65/49/43/757654943.db2.gz HIBIXFGKGNLCHY-CHWSQXEVSA-N 1 1 335.364 0.231 20 5 ECBDMO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000996429296 757657890 /nfs/dbraw/zinc/65/78/90/757657890.db2.gz OPJLQFHGSCUAAX-ZIAGYGMSSA-N 1 1 334.376 0.836 20 5 ECBDMO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000996429744 757658808 /nfs/dbraw/zinc/65/88/08/757658808.db2.gz VTLDCWGZVNYODU-CHWSQXEVSA-N 1 1 335.364 0.231 20 5 ECBDMO COCC1(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001126979667 759011716 /nfs/dbraw/zinc/01/17/16/759011716.db2.gz OHRXLTGNOLZONM-UHFFFAOYSA-N 1 1 325.369 0.351 20 5 ECBDMO Cn1cnc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001031647990 766335640 /nfs/dbraw/zinc/33/56/40/766335640.db2.gz FFKWXTMBUXVYNO-UHFFFAOYSA-N 1 1 330.348 0.585 20 5 ECBDMO Cn1nccc1CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045437399 775609811 /nfs/dbraw/zinc/60/98/11/775609811.db2.gz PCYDHCHPQFIZEZ-ZIAGYGMSSA-N 1 1 335.408 0.599 20 5 ECBDMO CN(CC[NH2+]CC(=O)NCCC(C)(C)C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696664 836160091 /nfs/dbraw/zinc/16/00/91/836160091.db2.gz OECLOVJSTULGAQ-VXGBXAGGSA-N 1 1 328.413 0.252 20 5 ECBDMO O=C(CCn1cncn1)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001267675533 838222049 /nfs/dbraw/zinc/22/20/49/838222049.db2.gz ZXWZIQPETLWVAZ-UHFFFAOYSA-N 1 1 344.375 0.825 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000131576083 529507511 /nfs/dbraw/zinc/50/75/11/529507511.db2.gz LYKDYQGCLILYOL-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](CC)CCO ZINC000184338463 529730804 /nfs/dbraw/zinc/73/08/04/529730804.db2.gz NYJICOYSNWNOAG-UHFFFAOYSA-N 1 1 345.421 0.750 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)n1 ZINC000427682939 210213446 /nfs/dbraw/zinc/21/34/46/210213446.db2.gz PIHFDSLXCMGRSB-UHFFFAOYSA-N 1 1 339.396 0.730 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000183594017 235154920 /nfs/dbraw/zinc/15/49/20/235154920.db2.gz DHEGARFDEHMNBU-ZDUSSCGKSA-N 1 1 334.376 0.843 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000186935798 236070179 /nfs/dbraw/zinc/07/01/79/236070179.db2.gz HXOZKCSWDPIXOY-VXGBXAGGSA-N 1 1 325.369 0.095 20 5 ECBDMO NC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000267217672 283328055 /nfs/dbraw/zinc/32/80/55/283328055.db2.gz IQPASWWXOYDCLA-QMMMGPOBSA-N 1 1 330.142 0.016 20 5 ECBDMO C[C@](O)(CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000433382600 291345619 /nfs/dbraw/zinc/34/56/19/291345619.db2.gz FFLIYKPAHLJFBH-HNNXBMFYSA-N 1 1 338.364 0.189 20 5 ECBDMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380574 211834250 /nfs/dbraw/zinc/83/42/50/211834250.db2.gz QKLWICGCVRZIRV-MNOVXSKESA-N 1 1 348.363 0.416 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000111265106 220128183 /nfs/dbraw/zinc/12/81/83/220128183.db2.gz IIGLKLLTEZKCGC-ZDUSSCGKSA-N 1 1 346.387 0.942 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000111265106 220128184 /nfs/dbraw/zinc/12/81/84/220128184.db2.gz IIGLKLLTEZKCGC-ZDUSSCGKSA-N 1 1 346.387 0.942 20 5 ECBDMO O=C(NCC[NH+]1CCSCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264929159 247055240 /nfs/dbraw/zinc/05/52/40/247055240.db2.gz YJWGDNUTFJRKDE-UHFFFAOYSA-N 1 1 338.389 0.698 20 5 ECBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803467 211097704 /nfs/dbraw/zinc/09/77/04/211097704.db2.gz PUBFQGZSNRGMRR-OLZOCXBDSA-N 1 1 346.409 0.051 20 5 ECBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803467 211097709 /nfs/dbraw/zinc/09/77/09/211097709.db2.gz PUBFQGZSNRGMRR-OLZOCXBDSA-N 1 1 346.409 0.051 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926039 208379330 /nfs/dbraw/zinc/37/93/30/208379330.db2.gz VQLSVCKGZSQPSF-SECBINFHSA-N 1 1 339.352 0.057 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926039 208379336 /nfs/dbraw/zinc/37/93/36/208379336.db2.gz VQLSVCKGZSQPSF-SECBINFHSA-N 1 1 339.352 0.057 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926039 208379340 /nfs/dbraw/zinc/37/93/40/208379340.db2.gz VQLSVCKGZSQPSF-SECBINFHSA-N 1 1 339.352 0.057 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926039 208379346 /nfs/dbraw/zinc/37/93/46/208379346.db2.gz VQLSVCKGZSQPSF-SECBINFHSA-N 1 1 339.352 0.057 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCNC(=O)CC1 ZINC000117338904 221055868 /nfs/dbraw/zinc/05/58/68/221055868.db2.gz ZTQSNDJCTNQGGV-UHFFFAOYSA-N 1 1 334.332 0.715 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261682760 165227431 /nfs/dbraw/zinc/22/74/31/165227431.db2.gz HOBRFBUENSDHEX-AWEZNQCLSA-N 1 1 345.359 0.880 20 5 ECBDMO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000269646172 263194446 /nfs/dbraw/zinc/19/44/46/263194446.db2.gz SNXCONJBDQHCQX-QWHCGFSZSA-N 1 1 336.392 0.993 20 5 ECBDMO CC(C)N1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000270475303 263245293 /nfs/dbraw/zinc/24/52/93/263245293.db2.gz OBBWGTFYXGLUIL-UHFFFAOYSA-N 1 1 349.439 0.962 20 5 ECBDMO C[C@@H]1C[NH+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000270795307 263273321 /nfs/dbraw/zinc/27/33/21/263273321.db2.gz MRZDDZZWMZQYGS-GHMZBOCLSA-N 1 1 325.369 0.937 20 5 ECBDMO C[N@@H+]1CC=C(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271765025 263328722 /nfs/dbraw/zinc/32/87/22/263328722.db2.gz ABKBYSHMQPBTCG-UHFFFAOYSA-N 1 1 332.360 0.703 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000272402919 263347078 /nfs/dbraw/zinc/34/70/78/263347078.db2.gz ICAJCLPRGRLVET-LBPRGKRZSA-N 1 1 334.376 0.971 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272647512 263359145 /nfs/dbraw/zinc/35/91/45/263359145.db2.gz DLTDNEYZLCVVJK-UHFFFAOYSA-N 1 1 336.352 0.322 20 5 ECBDMO Cn1cc([C@@H](CO)[NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000275134524 263554530 /nfs/dbraw/zinc/55/45/30/263554530.db2.gz CJNWUTOYIPCOOC-CQSZACIVSA-N 1 1 345.359 0.541 20 5 ECBDMO COC(=O)[C@]1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000282838188 264064420 /nfs/dbraw/zinc/06/44/20/264064420.db2.gz SPOJJLLOMTUOJL-SCDSUCTJSA-N 1 1 326.353 0.283 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294524042 265002208 /nfs/dbraw/zinc/00/22/08/265002208.db2.gz FIUZOMFORVIIRU-GHMZBOCLSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295454157 265067150 /nfs/dbraw/zinc/06/71/50/265067150.db2.gz XPFZSFBLYKQHTD-UHFFFAOYSA-N 1 1 343.405 0.638 20 5 ECBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330714907 437597475 /nfs/dbraw/zinc/59/74/75/437597475.db2.gz SNCFVPFQHBSALB-BFHYXJOUSA-N 1 1 326.397 0.881 20 5 ECBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000264584226 280348781 /nfs/dbraw/zinc/34/87/81/280348781.db2.gz VALJNZUYQDXJKZ-AWEZNQCLSA-N 1 1 334.376 0.973 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000339261810 297330395 /nfs/dbraw/zinc/33/03/95/297330395.db2.gz NOTFFAYTJAGFDL-UHFFFAOYSA-N 1 1 337.380 0.169 20 5 ECBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346200051 298238153 /nfs/dbraw/zinc/23/81/53/298238153.db2.gz QVWNGRMZCNPBLQ-MELADBBJSA-N 1 1 348.403 0.945 20 5 ECBDMO C[C@H]1C[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000353378395 299043821 /nfs/dbraw/zinc/04/38/21/299043821.db2.gz GXLSUCRZOJGAFM-WCQYABFASA-N 1 1 334.376 0.924 20 5 ECBDMO Cn1c(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000361826086 300130284 /nfs/dbraw/zinc/13/02/84/300130284.db2.gz RWAVZEGZTJJAFO-GFCCVEGCSA-N 1 1 349.391 0.312 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362607199 300203179 /nfs/dbraw/zinc/20/31/79/300203179.db2.gz UDFOCTGQSQKPGI-HUUCEWRRSA-N 1 1 340.380 0.280 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362607199 300203182 /nfs/dbraw/zinc/20/31/82/300203182.db2.gz UDFOCTGQSQKPGI-HUUCEWRRSA-N 1 1 340.380 0.280 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363865220 300301072 /nfs/dbraw/zinc/30/10/72/300301072.db2.gz GLSZOJYQUJAYKP-CHWSQXEVSA-N 1 1 335.364 0.243 20 5 ECBDMO CS(=O)(=O)NCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665110 436051298 /nfs/dbraw/zinc/05/12/98/436051298.db2.gz ZUYAJHBFCFYTIK-JTQLQIEISA-N 1 1 329.382 0.025 20 5 ECBDMO CS(=O)(=O)NCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665110 436051303 /nfs/dbraw/zinc/05/13/03/436051303.db2.gz ZUYAJHBFCFYTIK-JTQLQIEISA-N 1 1 329.382 0.025 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)c([N+](=O)[O-])c1 ZINC000072830593 436056563 /nfs/dbraw/zinc/05/65/63/436056563.db2.gz VQPLDZHADWUDQA-INIZCTEOSA-N 1 1 332.360 0.796 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000040517416 436266295 /nfs/dbraw/zinc/26/62/95/436266295.db2.gz AGJLYUQGVMRLRR-UHFFFAOYSA-N 1 1 332.158 0.328 20 5 ECBDMO CC(C)OCCN1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000080624764 436324144 /nfs/dbraw/zinc/32/41/44/436324144.db2.gz HOFVPIXASWFEGM-HNNXBMFYSA-N 1 1 341.412 0.195 20 5 ECBDMO O=C1CCCN1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548839 436432083 /nfs/dbraw/zinc/43/20/83/436432083.db2.gz MNBKQLDWSMUERS-ZDUSSCGKSA-N 1 1 334.376 0.843 20 5 ECBDMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000057449308 436611629 /nfs/dbraw/zinc/61/16/29/436611629.db2.gz JAGWUGLDESMTQN-UHFFFAOYSA-N 1 1 342.783 0.797 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548420333 302300624 /nfs/dbraw/zinc/30/06/24/302300624.db2.gz JGOPTEVZRBXSSP-PHIMTYICSA-N 1 1 325.369 0.937 20 5 ECBDMO CN(C)C(=O)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117334041 436657936 /nfs/dbraw/zinc/65/79/36/436657936.db2.gz ARWDIJCRVGFSFE-UHFFFAOYSA-N 1 1 336.348 0.913 20 5 ECBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151387880 436701932 /nfs/dbraw/zinc/70/19/32/436701932.db2.gz FGJDBLMNHXFAMY-LLVKDONJSA-N 1 1 335.368 0.932 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248962955 436813552 /nfs/dbraw/zinc/81/35/52/436813552.db2.gz RHIWPVHMRSPVHV-NEPJUHHUSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248962955 436813554 /nfs/dbraw/zinc/81/35/54/436813554.db2.gz RHIWPVHMRSPVHV-NEPJUHHUSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248962959 436813672 /nfs/dbraw/zinc/81/36/72/436813672.db2.gz RHIWPVHMRSPVHV-VXGBXAGGSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248962959 436813676 /nfs/dbraw/zinc/81/36/76/436813676.db2.gz RHIWPVHMRSPVHV-VXGBXAGGSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000128597155 436817931 /nfs/dbraw/zinc/81/79/31/436817931.db2.gz FZLWCMVIQNSKFQ-VXGBXAGGSA-N 1 1 337.380 0.620 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000128597155 436817934 /nfs/dbraw/zinc/81/79/34/436817934.db2.gz FZLWCMVIQNSKFQ-VXGBXAGGSA-N 1 1 337.380 0.620 20 5 ECBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247127344 436789835 /nfs/dbraw/zinc/78/98/35/436789835.db2.gz NHYIYPOUDXUZQO-GXTWGEPZSA-N 1 1 334.376 0.699 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000274135383 436799952 /nfs/dbraw/zinc/79/99/52/436799952.db2.gz WSDGCUSTAVULTG-CYBMUJFWSA-N 1 1 349.347 0.599 20 5 ECBDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000131397371 436853598 /nfs/dbraw/zinc/85/35/98/436853598.db2.gz ZZNGWROSXWCSIL-UHFFFAOYSA-N 1 1 335.360 0.974 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000293336480 436868501 /nfs/dbraw/zinc/86/85/01/436868501.db2.gz YKLOOAVGKNKLFL-UHFFFAOYSA-N 1 1 349.387 0.894 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249596025 436825113 /nfs/dbraw/zinc/82/51/13/436825113.db2.gz WUSCALIRSQTIIX-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249596025 436825115 /nfs/dbraw/zinc/82/51/15/436825115.db2.gz WUSCALIRSQTIIX-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000251708839 436829029 /nfs/dbraw/zinc/82/90/29/436829029.db2.gz KAOFJZVQGRBXCC-RYUDHWBXSA-N 1 1 339.396 0.403 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000275130087 436927718 /nfs/dbraw/zinc/92/77/18/436927718.db2.gz BNYJMDHGFZVVSX-ZDUSSCGKSA-N 1 1 349.347 0.599 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000293769754 436907047 /nfs/dbraw/zinc/90/70/47/436907047.db2.gz AUPOASUFSRFAHR-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000293769754 436907049 /nfs/dbraw/zinc/90/70/49/436907049.db2.gz AUPOASUFSRFAHR-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000275837689 437020565 /nfs/dbraw/zinc/02/05/65/437020565.db2.gz PFQNTUCTGIBELJ-LLVKDONJSA-N 1 1 334.376 0.982 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000171663278 436986463 /nfs/dbraw/zinc/98/64/63/436986463.db2.gz QYPKWBOLWZYNQB-NSHDSACASA-N 1 1 339.396 0.967 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000275590941 436988776 /nfs/dbraw/zinc/98/87/76/436988776.db2.gz DPMTVDUQWMNEAV-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000275590941 436988780 /nfs/dbraw/zinc/98/87/80/436988780.db2.gz DPMTVDUQWMNEAV-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO CC[N@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000281929235 437006631 /nfs/dbraw/zinc/00/66/31/437006631.db2.gz DCHLODWUEFQDPV-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO CC[N@@H+](CCOCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000281929235 437006633 /nfs/dbraw/zinc/00/66/33/437006633.db2.gz DCHLODWUEFQDPV-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000264483893 437036364 /nfs/dbraw/zinc/03/63/64/437036364.db2.gz IIYSPGCAZZPRKM-ZDUSSCGKSA-N 1 1 339.396 0.635 20 5 ECBDMO COCCOCCOCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000276138496 437061930 /nfs/dbraw/zinc/06/19/30/437061930.db2.gz DTRMRNVEDSQUBG-UHFFFAOYSA-N 1 1 343.380 0.368 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284744139 437068023 /nfs/dbraw/zinc/06/80/23/437068023.db2.gz DVSCZOMAILZLPE-CABCVRRESA-N 1 1 334.376 0.938 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264731513 437073138 /nfs/dbraw/zinc/07/31/38/437073138.db2.gz GTSLFSIEOYJSNX-LBPRGKRZSA-N 1 1 337.380 0.971 20 5 ECBDMO Cc1n[nH]c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000299440546 437078740 /nfs/dbraw/zinc/07/87/40/437078740.db2.gz JYNIDYLXCWHKAI-AOOOYVTPSA-N 1 1 325.369 0.855 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000264780446 437083931 /nfs/dbraw/zinc/08/39/31/437083931.db2.gz RVKDYZKDLJBUDV-LLVKDONJSA-N 1 1 332.364 0.447 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302506786 437144412 /nfs/dbraw/zinc/14/44/12/437144412.db2.gz FACOHWYYQGYDMB-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334088 437157849 /nfs/dbraw/zinc/15/78/49/437157849.db2.gz WDVVCWAITOXZJI-ZFWWWQNUSA-N 1 1 325.413 0.958 20 5 ECBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334088 437157852 /nfs/dbraw/zinc/15/78/52/437157852.db2.gz WDVVCWAITOXZJI-ZFWWWQNUSA-N 1 1 325.413 0.958 20 5 ECBDMO Nc1c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000176904144 437161381 /nfs/dbraw/zinc/16/13/81/437161381.db2.gz GITDGOWKMXSNKI-LBPRGKRZSA-N 1 1 334.376 0.971 20 5 ECBDMO O=C([C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCOCC1 ZINC000176201822 437134638 /nfs/dbraw/zinc/13/46/38/437134638.db2.gz SRXREOVBOLSOGW-CYBMUJFWSA-N 1 1 337.380 0.362 20 5 ECBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000301959349 437136622 /nfs/dbraw/zinc/13/66/22/437136622.db2.gz GXHMLZGKZRDUKL-ZDUSSCGKSA-N 1 1 345.407 0.854 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3[C@@H](CO)CC[C@@H]3CO)n2)c1 ZINC000287370365 437183224 /nfs/dbraw/zinc/18/32/24/437183224.db2.gz MKAWVMVEWGXFQV-CHWSQXEVSA-N 1 1 334.332 0.962 20 5 ECBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC1CCOCC1 ZINC000331989438 437190388 /nfs/dbraw/zinc/19/03/88/437190388.db2.gz ZDTNSQJUUJXIGQ-UHFFFAOYSA-N 1 1 337.380 0.723 20 5 ECBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266943192 437269035 /nfs/dbraw/zinc/26/90/35/437269035.db2.gz XENMFNDJDPMLTF-NSHDSACASA-N 1 1 331.398 0.195 20 5 ECBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266943192 437269038 /nfs/dbraw/zinc/26/90/38/437269038.db2.gz XENMFNDJDPMLTF-NSHDSACASA-N 1 1 331.398 0.195 20 5 ECBDMO COCCO[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000179249114 437257393 /nfs/dbraw/zinc/25/73/93/437257393.db2.gz LKVPVBMUZDYRCI-AWEZNQCLSA-N 1 1 325.365 0.884 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000181380904 437320074 /nfs/dbraw/zinc/32/00/74/437320074.db2.gz PLNOFBVSAAENPZ-CQSZACIVSA-N 1 1 345.359 0.880 20 5 ECBDMO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000337257798 437344014 /nfs/dbraw/zinc/34/40/14/437344014.db2.gz UPCHORZPCQTSKI-MBNYWOFBSA-N 1 1 335.360 0.545 20 5 ECBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181755274 437330911 /nfs/dbraw/zinc/33/09/11/437330911.db2.gz BYCGSGGSJHLJCP-AGIUHOORSA-N 1 1 337.376 0.920 20 5 ECBDMO Cc1cn[nH]c1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289753485 437439678 /nfs/dbraw/zinc/43/96/78/437439678.db2.gz FMDONKJQTDBGTR-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO Cc1c[nH]nc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289753485 437439681 /nfs/dbraw/zinc/43/96/81/437439681.db2.gz FMDONKJQTDBGTR-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO CCC[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269069708 437450566 /nfs/dbraw/zinc/45/05/66/437450566.db2.gz FITGQRXLPVTHHU-UHFFFAOYSA-N 1 1 325.321 0.966 20 5 ECBDMO CCC[N@@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269069708 437450569 /nfs/dbraw/zinc/45/05/69/437450569.db2.gz FITGQRXLPVTHHU-UHFFFAOYSA-N 1 1 325.321 0.966 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330489585 437529033 /nfs/dbraw/zinc/52/90/33/437529033.db2.gz MARORIOYAPDHAK-GFCCVEGCSA-N 1 1 339.396 0.442 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000360539859 437624294 /nfs/dbraw/zinc/62/42/94/437624294.db2.gz XMAOLIWDCOYIGB-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000360539859 437624298 /nfs/dbraw/zinc/62/42/98/437624298.db2.gz XMAOLIWDCOYIGB-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO C[N@H+]1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1(C)C ZINC000291146875 437564773 /nfs/dbraw/zinc/56/47/73/437564773.db2.gz OPPVVNYFCVUCGW-UHFFFAOYSA-N 1 1 336.396 0.527 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000191860487 437658172 /nfs/dbraw/zinc/65/81/72/437658172.db2.gz WZBACOCFDZKPKC-GFCCVEGCSA-N 1 1 339.396 0.778 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361558227 437670276 /nfs/dbraw/zinc/67/02/76/437670276.db2.gz VNOHXFMSENEADZ-BBRMVZONSA-N 1 1 332.360 0.897 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000192968737 437696324 /nfs/dbraw/zinc/69/63/24/437696324.db2.gz ACBPRPNQZKXSSZ-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO COCC[NH+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193344597 437706623 /nfs/dbraw/zinc/70/66/23/437706623.db2.gz ZBYOMNQUNAWTRE-UHFFFAOYSA-N 1 1 348.403 0.748 20 5 ECBDMO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043298 437723390 /nfs/dbraw/zinc/72/33/90/437723390.db2.gz IJDWZAUTUIMMLJ-OUJBWJOFSA-N 1 1 349.343 0.965 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043298 437723393 /nfs/dbraw/zinc/72/33/93/437723393.db2.gz IJDWZAUTUIMMLJ-OUJBWJOFSA-N 1 1 349.343 0.965 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347276894 437864346 /nfs/dbraw/zinc/86/43/46/437864346.db2.gz OGYNNQXMHYZWMR-HZSPNIEDSA-N 1 1 326.349 0.152 20 5 ECBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347629924 437919211 /nfs/dbraw/zinc/91/92/11/437919211.db2.gz AHFICRHHTNGJRY-DZGCQCFKSA-N 1 1 339.396 0.390 20 5 ECBDMO Cc1nc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)no1 ZINC000365274245 437884273 /nfs/dbraw/zinc/88/42/73/437884273.db2.gz ARUCBJXUIQAEBV-AAEUAGOBSA-N 1 1 336.352 0.723 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357312261 437962806 /nfs/dbraw/zinc/96/28/06/437962806.db2.gz IMMRSBJJOUJFPR-LLVKDONJSA-N 1 1 337.380 0.857 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371991111 438019997 /nfs/dbraw/zinc/01/99/97/438019997.db2.gz IWSHPEDWANWIBA-CMPLNLGQSA-N 1 1 335.364 0.555 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371991111 438020003 /nfs/dbraw/zinc/02/00/03/438020003.db2.gz IWSHPEDWANWIBA-CMPLNLGQSA-N 1 1 335.364 0.555 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366759147 438121770 /nfs/dbraw/zinc/12/17/70/438121770.db2.gz PLHMAJSZHYDMBG-KBPBESRZSA-N 1 1 348.359 0.513 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000358195837 438179568 /nfs/dbraw/zinc/17/95/68/438179568.db2.gz KDUYTSFFMDDZDB-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358201130 438180162 /nfs/dbraw/zinc/18/01/62/438180162.db2.gz QLSOBMLNYRGOSY-AWEZNQCLSA-N 1 1 343.405 0.123 20 5 ECBDMO C[N@H+](CCN1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000358465261 438232050 /nfs/dbraw/zinc/23/20/50/438232050.db2.gz ZVOFHAXXMYYXJH-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@@H+](CCN1CCOCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000358465261 438232052 /nfs/dbraw/zinc/23/20/52/438232052.db2.gz ZVOFHAXXMYYXJH-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073347 438283676 /nfs/dbraw/zinc/28/36/76/438283676.db2.gz REOBKQHKSVSESI-FZMZJTMJSA-N 1 1 332.360 0.626 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073347 438283678 /nfs/dbraw/zinc/28/36/78/438283678.db2.gz REOBKQHKSVSESI-FZMZJTMJSA-N 1 1 332.360 0.626 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368068601 438284569 /nfs/dbraw/zinc/28/45/69/438284569.db2.gz BGSJNUGYTJXBAY-JTNHKYCSSA-N 1 1 332.360 0.990 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)s1 ZINC000420453180 438408790 /nfs/dbraw/zinc/40/87/90/438408790.db2.gz XCUAMTSUNIRANZ-LURJTMIESA-N 1 1 327.334 0.932 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369379697 438462742 /nfs/dbraw/zinc/46/27/42/438462742.db2.gz NYZSYUSGBOYTDM-JSGCOSHPSA-N 1 1 335.368 0.298 20 5 ECBDMO C[C@@](O)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000440792390 438565021 /nfs/dbraw/zinc/56/50/21/438565021.db2.gz LZSPCJNODRIBNU-OAHLLOKOSA-N 1 1 338.364 0.800 20 5 ECBDMO CCO[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000451949035 438619175 /nfs/dbraw/zinc/61/91/75/438619175.db2.gz WBGLVVXOFAEBQX-ZIAGYGMSSA-N 1 1 344.389 0.762 20 5 ECBDMO Cc1nc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ncc1[N+](=O)[O-] ZINC000450347612 438689555 /nfs/dbraw/zinc/68/95/55/438689555.db2.gz QCURNELKGOHWRE-UHFFFAOYSA-N 1 1 344.379 0.876 20 5 ECBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455506591 438747380 /nfs/dbraw/zinc/74/73/80/438747380.db2.gz DVNLMIXIAQWPEM-NSHDSACASA-N 1 1 337.380 0.560 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000457120658 438796653 /nfs/dbraw/zinc/79/66/53/438796653.db2.gz LIFUMDWXEWCTDK-NSHDSACASA-N 1 1 339.396 0.323 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@H+](CCO)C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000457120658 438796655 /nfs/dbraw/zinc/79/66/55/438796655.db2.gz LIFUMDWXEWCTDK-NSHDSACASA-N 1 1 339.396 0.323 20 5 ECBDMO COC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595663035 438843603 /nfs/dbraw/zinc/84/36/03/438843603.db2.gz GIYHINPEWGIRNX-AWEZNQCLSA-N 1 1 340.380 0.960 20 5 ECBDMO CNc1nccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000561285384 438844295 /nfs/dbraw/zinc/84/42/95/438844295.db2.gz JQQWMHCCSJDPOU-UHFFFAOYSA-N 1 1 345.363 0.727 20 5 ECBDMO NS(=O)(=O)c1ccc(N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000589109666 438856018 /nfs/dbraw/zinc/85/60/18/438856018.db2.gz RJUKYTMJWJTOFB-UHFFFAOYSA-N 1 1 326.378 0.527 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399635 438918424 /nfs/dbraw/zinc/91/84/24/438918424.db2.gz LRHMZAZYRNOYDG-UHFFFAOYSA-N 1 1 332.404 0.843 20 5 ECBDMO COC(=O)c1c(Cl)c(N2CC[NH2+][C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596065148 438920034 /nfs/dbraw/zinc/92/00/34/438920034.db2.gz FBJZYCPPLQRRJJ-ZETCQYMHSA-N 1 1 342.739 0.298 20 5 ECBDMO Nc1ccc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000590571714 438934022 /nfs/dbraw/zinc/93/40/22/438934022.db2.gz WAFDMVVCHOYIKL-UHFFFAOYSA-N 1 1 348.407 0.707 20 5 ECBDMO Nc1ccc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)nc1[N+](=O)[O-] ZINC000590571714 438934026 /nfs/dbraw/zinc/93/40/26/438934026.db2.gz WAFDMVVCHOYIKL-UHFFFAOYSA-N 1 1 348.407 0.707 20 5 ECBDMO NC(=O)c1cc(N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596248504 438946850 /nfs/dbraw/zinc/94/68/50/438946850.db2.gz YSBFSUYTJGGMRA-ZDUSSCGKSA-N 1 1 334.376 0.995 20 5 ECBDMO COc1c(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000597693946 439162387 /nfs/dbraw/zinc/16/23/87/439162387.db2.gz HBGHGABMDPLQLA-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000592430262 439226627 /nfs/dbraw/zinc/22/66/27/439226627.db2.gz RNENHQVSTGHSHT-LSDHHAIUSA-N 1 1 339.392 0.381 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000568346935 439239532 /nfs/dbraw/zinc/23/95/32/439239532.db2.gz IGWRVDICWAONLH-AWEZNQCLSA-N 1 1 347.375 0.880 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598776966 439314739 /nfs/dbraw/zinc/31/47/39/439314739.db2.gz RDVTVENJNYNOQK-LBPRGKRZSA-N 1 1 336.348 0.367 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000604489581 439316656 /nfs/dbraw/zinc/31/66/56/439316656.db2.gz OHRHKKSWBGMGBS-CYBMUJFWSA-N 1 1 337.380 0.505 20 5 ECBDMO C[N@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000604526543 439319260 /nfs/dbraw/zinc/31/92/60/439319260.db2.gz VPPLPGNOBRWIHA-UHFFFAOYSA-N 1 1 336.396 0.528 20 5 ECBDMO CN1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000604526543 439319263 /nfs/dbraw/zinc/31/92/63/439319263.db2.gz VPPLPGNOBRWIHA-UHFFFAOYSA-N 1 1 336.396 0.528 20 5 ECBDMO CN1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000604526543 439319268 /nfs/dbraw/zinc/31/92/68/439319268.db2.gz VPPLPGNOBRWIHA-UHFFFAOYSA-N 1 1 336.396 0.528 20 5 ECBDMO CC[N@@H+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H]1C ZINC000598608362 439287958 /nfs/dbraw/zinc/28/79/58/439287958.db2.gz RUBUTCRARJXEKY-GFCCVEGCSA-N 1 1 336.396 0.752 20 5 ECBDMO CC[N@H+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H]1C ZINC000598608362 439287962 /nfs/dbraw/zinc/28/79/62/439287962.db2.gz RUBUTCRARJXEKY-GFCCVEGCSA-N 1 1 336.396 0.752 20 5 ECBDMO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592870910 439293533 /nfs/dbraw/zinc/29/35/33/439293533.db2.gz HDJRZZBUBNNWHC-JTQLQIEISA-N 1 1 336.348 0.492 20 5 ECBDMO O=C1CNC(=O)N1CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603940549 439294924 /nfs/dbraw/zinc/29/49/24/439294924.db2.gz DKQOFZVYNUUDRB-UHFFFAOYSA-N 1 1 348.363 0.054 20 5 ECBDMO O=C(NC1CC1)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599176786 439373159 /nfs/dbraw/zinc/37/31/59/439373159.db2.gz YCWZZSKSMNIXHA-CYBMUJFWSA-N 1 1 334.376 0.966 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000599325069 439432042 /nfs/dbraw/zinc/43/20/42/439432042.db2.gz DYKUWZYVWPNCCH-JTQLQIEISA-N 1 1 331.398 0.339 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000599325069 439432049 /nfs/dbraw/zinc/43/20/49/439432049.db2.gz DYKUWZYVWPNCCH-JTQLQIEISA-N 1 1 331.398 0.339 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000599331860 439438398 /nfs/dbraw/zinc/43/83/98/439438398.db2.gz YOPYPNQPGIVBAP-VHSXEESVSA-N 1 1 329.382 0.043 20 5 ECBDMO CN(C(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000594026467 439509909 /nfs/dbraw/zinc/50/99/09/439509909.db2.gz DAHHCPRSEOSXGY-LSDHHAIUSA-N 1 1 334.376 0.308 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856667 439479729 /nfs/dbraw/zinc/47/97/29/439479729.db2.gz YWHRIHBKHQTYKP-LLVKDONJSA-N 1 1 349.343 0.257 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856667 439479735 /nfs/dbraw/zinc/47/97/35/439479735.db2.gz YWHRIHBKHQTYKP-LLVKDONJSA-N 1 1 349.343 0.257 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593738023 439458479 /nfs/dbraw/zinc/45/84/79/439458479.db2.gz KFJAOBYTWLZPKS-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593738023 439458484 /nfs/dbraw/zinc/45/84/84/439458484.db2.gz KFJAOBYTWLZPKS-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393455 439554315 /nfs/dbraw/zinc/55/43/15/439554315.db2.gz NLYKGNGMMCPUJV-NWDGAFQWSA-N 1 1 330.344 0.967 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939521 439581480 /nfs/dbraw/zinc/58/14/80/439581480.db2.gz WGZOUHXANGXFSU-MNOVXSKESA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939521 439581487 /nfs/dbraw/zinc/58/14/87/439581487.db2.gz WGZOUHXANGXFSU-MNOVXSKESA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939521 439581489 /nfs/dbraw/zinc/58/14/89/439581489.db2.gz WGZOUHXANGXFSU-MNOVXSKESA-N 1 1 337.380 0.722 20 5 ECBDMO COc1ccnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1F ZINC000594733494 439598982 /nfs/dbraw/zinc/59/89/82/439598982.db2.gz WIWVURPQXCOIPS-SNVBAGLBSA-N 1 1 325.300 0.485 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572767351 439608309 /nfs/dbraw/zinc/60/83/09/439608309.db2.gz CIIAPVIALRFNCP-ZDUSSCGKSA-N 1 1 348.403 0.979 20 5 ECBDMO COc1ccc(CC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900723 439656276 /nfs/dbraw/zinc/65/62/76/439656276.db2.gz IYMTVVZNXDAJOM-ABAIWWIYSA-N 1 1 337.376 0.981 20 5 ECBDMO COc1ccc(CC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900723 439656280 /nfs/dbraw/zinc/65/62/80/439656280.db2.gz IYMTVVZNXDAJOM-ABAIWWIYSA-N 1 1 337.376 0.981 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000611106888 439673101 /nfs/dbraw/zinc/67/31/01/439673101.db2.gz XDDVBNWNQLJYGT-KOLCDFICSA-N 1 1 343.409 0.572 20 5 ECBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530348 439675383 /nfs/dbraw/zinc/67/53/83/439675383.db2.gz CSAZIEFJYNJSSE-GFCCVEGCSA-N 1 1 327.768 0.974 20 5 ECBDMO CNc1nccc(C(=O)NCC[N@@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000574170265 439689849 /nfs/dbraw/zinc/68/98/49/439689849.db2.gz KRSFERQPDZMROC-UHFFFAOYSA-N 1 1 325.369 0.730 20 5 ECBDMO CC[N@H+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000612662107 439735233 /nfs/dbraw/zinc/73/52/33/439735233.db2.gz ANDJMVGFZICMDN-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1CCO ZINC000614662903 439784105 /nfs/dbraw/zinc/78/41/05/439784105.db2.gz WGLGCKJPQVOYQZ-LBPRGKRZSA-N 1 1 337.376 0.864 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000616136092 439812018 /nfs/dbraw/zinc/81/20/18/439812018.db2.gz OYYWHWDHCIPWEC-TXEJJXNPSA-N 1 1 340.332 0.074 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000616136092 439812019 /nfs/dbraw/zinc/81/20/19/439812019.db2.gz OYYWHWDHCIPWEC-TXEJJXNPSA-N 1 1 340.332 0.074 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000337336415 320945516 /nfs/dbraw/zinc/94/55/16/320945516.db2.gz NGVBGTZDOFPUSA-UHFFFAOYSA-N 1 1 340.384 0.003 20 5 ECBDMO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000342421293 321091211 /nfs/dbraw/zinc/09/12/11/321091211.db2.gz RDPIYTAIVJBIGT-WPRPVWTQSA-N 1 1 330.362 0.832 20 5 ECBDMO CCc1n[nH]c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000347119391 321231860 /nfs/dbraw/zinc/23/18/60/321231860.db2.gz WVYKTOXHKTUOCF-SNVBAGLBSA-N 1 1 325.369 0.721 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ncnn2-c2ccccc2)c1 ZINC000567700595 322593366 /nfs/dbraw/zinc/59/33/66/322593366.db2.gz MYHWTSRRIROZIF-AWEZNQCLSA-N 1 1 343.347 0.523 20 5 ECBDMO CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531580 578142990 /nfs/dbraw/zinc/14/29/90/578142990.db2.gz LXCUHJQPSKKFCD-DGCLKSJQSA-N 1 1 337.380 0.506 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000797414779 578633809 /nfs/dbraw/zinc/63/38/09/578633809.db2.gz PDBHODWJMGRGIG-OAHLLOKOSA-N 1 1 334.332 0.918 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000797414779 578633810 /nfs/dbraw/zinc/63/38/10/578633810.db2.gz PDBHODWJMGRGIG-OAHLLOKOSA-N 1 1 334.332 0.918 20 5 ECBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768480437 579126618 /nfs/dbraw/zinc/12/66/18/579126618.db2.gz RFSJEUWOTKLVBY-LLVKDONJSA-N 1 1 326.426 0.740 20 5 ECBDMO C[C@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000761443355 579528729 /nfs/dbraw/zinc/52/87/29/579528729.db2.gz JTPCUVJKMNCTPU-NSHDSACASA-N 1 1 334.376 0.764 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](C)[N@H+]1CCO ZINC000836870206 588937051 /nfs/dbraw/zinc/93/70/51/588937051.db2.gz VWESWCWDANRWGB-AOOOYVTPSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H](C)[N@@H+]1CCO ZINC000836870206 588937052 /nfs/dbraw/zinc/93/70/52/588937052.db2.gz VWESWCWDANRWGB-AOOOYVTPSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000841456611 588988902 /nfs/dbraw/zinc/98/89/02/588988902.db2.gz JDBWZQCNGFENCA-TYNCELHUSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000841456611 588988903 /nfs/dbraw/zinc/98/89/03/588988903.db2.gz JDBWZQCNGFENCA-TYNCELHUSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896555450 586254415 /nfs/dbraw/zinc/25/44/15/586254415.db2.gz JLBXZMCESZDHAK-CZUORRHYSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000896555450 586254420 /nfs/dbraw/zinc/25/44/20/586254420.db2.gz JLBXZMCESZDHAK-CZUORRHYSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000896555450 586254421 /nfs/dbraw/zinc/25/44/21/586254421.db2.gz JLBXZMCESZDHAK-CZUORRHYSA-N 1 1 349.435 0.782 20 5 ECBDMO O=[N+]([O-])c1ccc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000843055278 589048529 /nfs/dbraw/zinc/04/85/29/589048529.db2.gz VQQRFZUMENFVJG-UHFFFAOYSA-N 1 1 340.405 0.014 20 5 ECBDMO CC(=O)CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817288929 587338256 /nfs/dbraw/zinc/33/82/56/587338256.db2.gz PDIDBXFSWMOEAR-UHFFFAOYSA-N 1 1 329.378 0.784 20 5 ECBDMO CC(=O)CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000817288929 587338258 /nfs/dbraw/zinc/33/82/58/587338258.db2.gz PDIDBXFSWMOEAR-UHFFFAOYSA-N 1 1 329.378 0.784 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821328886 587586005 /nfs/dbraw/zinc/58/60/05/587586005.db2.gz SKXWHWUQGLKZRK-QLFBSQMISA-N 1 1 349.387 0.745 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000824707129 587889206 /nfs/dbraw/zinc/88/92/06/587889206.db2.gz NXJNWPORHQKRHF-WDEREUQCSA-N 1 1 347.379 0.666 20 5 ECBDMO CN(C)c1[nH+]cc(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)n1C ZINC000825883536 587968698 /nfs/dbraw/zinc/96/86/98/587968698.db2.gz UDFUCWPHYAWPBY-CYBMUJFWSA-N 1 1 333.348 0.744 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827375024 588115849 /nfs/dbraw/zinc/11/58/49/588115849.db2.gz SEHLBRGQUMQNSQ-UKRRQHHQSA-N 1 1 346.387 0.877 20 5 ECBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1C ZINC000848237762 589284588 /nfs/dbraw/zinc/28/45/88/589284588.db2.gz JTHANPRZOYHFBR-PHIMTYICSA-N 1 1 337.380 0.753 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C[C@@H]1C ZINC000848237762 589284589 /nfs/dbraw/zinc/28/45/89/589284589.db2.gz JTHANPRZOYHFBR-PHIMTYICSA-N 1 1 337.380 0.753 20 5 ECBDMO NC(=O)[C@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[NH2+]1 ZINC000856721790 589671579 /nfs/dbraw/zinc/67/15/79/589671579.db2.gz OSGPEUVWRWYXJJ-MRVPVSSYSA-N 1 1 329.154 0.621 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000858912654 589781668 /nfs/dbraw/zinc/78/16/68/589781668.db2.gz MVGAVTLZVMMTLL-UHFFFAOYSA-N 1 1 345.425 0.870 20 5 ECBDMO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322187 590002852 /nfs/dbraw/zinc/00/28/52/590002852.db2.gz AXTFBKOJKBBNJI-KNVOCYPGSA-N 1 1 332.158 0.707 20 5 ECBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322187 590002855 /nfs/dbraw/zinc/00/28/55/590002855.db2.gz AXTFBKOJKBBNJI-KNVOCYPGSA-N 1 1 332.158 0.707 20 5 ECBDMO C[C@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)N1CC[NH2+]CC1=O ZINC000863663958 590029953 /nfs/dbraw/zinc/02/99/53/590029953.db2.gz OAZHIXKQANVLQR-SECBINFHSA-N 1 1 332.320 0.456 20 5 ECBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665773 590139741 /nfs/dbraw/zinc/13/97/41/590139741.db2.gz SRPXEZMROPAWIW-NWDGAFQWSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665773 590139743 /nfs/dbraw/zinc/13/97/43/590139743.db2.gz SRPXEZMROPAWIW-NWDGAFQWSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882102731 590516946 /nfs/dbraw/zinc/51/69/46/590516946.db2.gz QWSKZPJHMHLKMK-LBPRGKRZSA-N 1 1 337.355 0.872 20 5 ECBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175418 590800043 /nfs/dbraw/zinc/80/00/43/590800043.db2.gz ZWBGPCCSUIFDDE-TZMCWYRMSA-N 1 1 325.365 0.836 20 5 ECBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175418 590800044 /nfs/dbraw/zinc/80/00/44/590800044.db2.gz ZWBGPCCSUIFDDE-TZMCWYRMSA-N 1 1 325.365 0.836 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000919837164 609664195 /nfs/dbraw/zinc/66/41/95/609664195.db2.gz RTXNPOMYXKHKAP-WDEREUQCSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000919837164 609664197 /nfs/dbraw/zinc/66/41/97/609664197.db2.gz RTXNPOMYXKHKAP-WDEREUQCSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000913551452 609692659 /nfs/dbraw/zinc/69/26/59/609692659.db2.gz QOVJVWUILBGUHP-AWEZNQCLSA-N 1 1 332.360 0.684 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000913551452 609692661 /nfs/dbraw/zinc/69/26/61/609692661.db2.gz QOVJVWUILBGUHP-AWEZNQCLSA-N 1 1 332.360 0.684 20 5 ECBDMO O=C1CNCCN1[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332853 611230112 /nfs/dbraw/zinc/23/01/12/611230112.db2.gz MYZPBJJRMRMBLJ-JKSUJKDBSA-N 1 1 348.403 0.524 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000247690001 612534980 /nfs/dbraw/zinc/53/49/80/612534980.db2.gz VSMBVGKBPATLNZ-DGCLKSJQSA-N 1 1 326.353 0.237 20 5 ECBDMO CC1CC[NH+](CC(=O)N2CC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000954240176 612789818 /nfs/dbraw/zinc/78/98/18/612789818.db2.gz YUYNHIGOGGJAPG-ZIAGYGMSSA-N 1 1 338.408 0.053 20 5 ECBDMO C[NH+](C)/C=C/c1cc(N2CCN3C(=O)COC[C@H]3C2)ncc1[N+](=O)[O-] ZINC001167229876 733073802 /nfs/dbraw/zinc/07/38/02/733073802.db2.gz MERBVULBERZYHR-ITDFMYJTSA-N 1 1 347.375 0.570 20 5 ECBDMO CC(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235627 741527290 /nfs/dbraw/zinc/52/72/90/741527290.db2.gz LWLJHMAFLDWALV-ZIAGYGMSSA-N 1 1 336.396 0.462 20 5 ECBDMO Cn1cc(CC[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC000981763762 751074861 /nfs/dbraw/zinc/07/48/61/751074861.db2.gz KHIHEVQUDYMYNE-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cn1cc(CC[N@@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC000981763762 751074869 /nfs/dbraw/zinc/07/48/69/751074869.db2.gz KHIHEVQUDYMYNE-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cn1cc(CC[N@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC000981763762 751074876 /nfs/dbraw/zinc/07/48/76/751074876.db2.gz KHIHEVQUDYMYNE-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105505029 753763534 /nfs/dbraw/zinc/76/35/34/753763534.db2.gz PKQSQOUSRZQDRM-UHFFFAOYSA-N 1 1 348.363 0.795 20 5 ECBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001168337417 754667335 /nfs/dbraw/zinc/66/73/35/754667335.db2.gz FDXJMNYDBXEUGQ-UHFFFAOYSA-N 1 1 339.348 0.362 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccccc1Cl ZINC001126936259 756744353 /nfs/dbraw/zinc/74/43/53/756744353.db2.gz DAWBCYTUJSZHPG-BXKDBHETSA-N 1 1 340.767 0.650 20 5 ECBDMO CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000996429187 757656329 /nfs/dbraw/zinc/65/63/29/757656329.db2.gz LHYDDNHSGHCHMJ-HUUCEWRRSA-N 1 1 335.408 0.691 20 5 ECBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325707 760130831 /nfs/dbraw/zinc/13/08/31/760130831.db2.gz LHZJUNFHHVFPCY-FPQZTECRSA-N 1 1 339.421 0.968 20 5 ECBDMO Cc1nn[nH]c1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031889569 763331420 /nfs/dbraw/zinc/33/14/20/763331420.db2.gz IINLLVYIHZVXAE-UHFFFAOYSA-N 1 1 330.348 0.883 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1cnc[nH]c1=O ZINC001031758719 767161480 /nfs/dbraw/zinc/16/14/80/767161480.db2.gz MTMCJSBOBVDGPT-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CC2CCC2)CC1 ZINC001070963179 784241827 /nfs/dbraw/zinc/24/18/27/784241827.db2.gz FHQHDRILLDJQQJ-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC[N@@H+](CC2CCC2)CC1 ZINC001070963179 784241833 /nfs/dbraw/zinc/24/18/33/784241833.db2.gz FHQHDRILLDJQQJ-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(=O)NCC[N@H+](CC2CCC2)CC1 ZINC001070963179 784241841 /nfs/dbraw/zinc/24/18/41/784241841.db2.gz FHQHDRILLDJQQJ-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCOc1cccc(F)c1 ZINC001266273031 835595671 /nfs/dbraw/zinc/59/56/71/835595671.db2.gz JEXZRMCDMAPMIN-ZIAGYGMSSA-N 1 1 325.340 0.918 20 5 ECBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCOc1cccc(F)c1 ZINC001266273031 835595676 /nfs/dbraw/zinc/59/56/76/835595676.db2.gz JEXZRMCDMAPMIN-ZIAGYGMSSA-N 1 1 325.340 0.918 20 5 ECBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])CCOc1cccc(F)c1 ZINC001266273031 835595682 /nfs/dbraw/zinc/59/56/82/835595682.db2.gz JEXZRMCDMAPMIN-ZIAGYGMSSA-N 1 1 325.340 0.918 20 5 ECBDMO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCc1nc[nH]n1 ZINC001267361389 837251748 /nfs/dbraw/zinc/25/17/48/837251748.db2.gz YRHCQOJRUPCDOI-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181944408 529894676 /nfs/dbraw/zinc/89/46/76/529894676.db2.gz OBNVJJHDLKTWCS-RYUDHWBXSA-N 1 1 325.365 0.648 20 5 ECBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000420595834 209397811 /nfs/dbraw/zinc/39/78/11/209397811.db2.gz GRIKVJZRGLZSOW-LBPRGKRZSA-N 1 1 334.376 0.852 20 5 ECBDMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000193655073 240249996 /nfs/dbraw/zinc/24/99/96/240249996.db2.gz UANVCNNQBKOCJW-UHFFFAOYSA-N 1 1 329.378 0.978 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000356150610 299356301 /nfs/dbraw/zinc/35/63/01/299356301.db2.gz OBTIAMLTJQYXQP-PHIMTYICSA-N 1 1 339.396 0.946 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000356150610 299356305 /nfs/dbraw/zinc/35/63/05/299356305.db2.gz OBTIAMLTJQYXQP-PHIMTYICSA-N 1 1 339.396 0.946 20 5 ECBDMO Cc1nn(C)c(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1[N+](=O)[O-] ZINC000265164265 247262233 /nfs/dbraw/zinc/26/22/33/247262233.db2.gz WSWXKMSAUDMRJO-LBPRGKRZSA-N 1 1 338.412 0.991 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444173194 211056991 /nfs/dbraw/zinc/05/69/91/211056991.db2.gz CDYABDVMCLTIFS-CYBMUJFWSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444173194 211056995 /nfs/dbraw/zinc/05/69/95/211056995.db2.gz CDYABDVMCLTIFS-CYBMUJFWSA-N 1 1 343.405 0.735 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000443676598 211031101 /nfs/dbraw/zinc/03/11/01/211031101.db2.gz VZKYHUYMMGCWGJ-TXEJJXNPSA-N 1 1 340.384 0.192 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000411943251 208174802 /nfs/dbraw/zinc/17/48/02/208174802.db2.gz NIJXFOYNJHKPDI-CYBMUJFWSA-N 1 1 346.387 0.894 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413903995 208369566 /nfs/dbraw/zinc/36/95/66/208369566.db2.gz OYYGDKRLDVSKIU-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413903995 208369569 /nfs/dbraw/zinc/36/95/69/208369569.db2.gz OYYGDKRLDVSKIU-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413920039 208375133 /nfs/dbraw/zinc/37/51/33/208375133.db2.gz MWPAMCQXNHHIAD-CYBMUJFWSA-N 1 1 335.360 0.701 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428819222 210286049 /nfs/dbraw/zinc/28/60/49/210286049.db2.gz HCCLYWPIQOAGST-AWEZNQCLSA-N 1 1 345.359 0.997 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000451664220 285165277 /nfs/dbraw/zinc/16/52/77/285165277.db2.gz OBNDGKMJHPPYJX-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000451664220 285165282 /nfs/dbraw/zinc/16/52/82/285165282.db2.gz OBNDGKMJHPPYJX-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO CC(C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000044695611 296597617 /nfs/dbraw/zinc/59/76/17/296597617.db2.gz BYBOLUQJQIZGIS-CYBMUJFWSA-N 1 1 325.369 0.264 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000090588795 164638139 /nfs/dbraw/zinc/63/81/39/164638139.db2.gz RZDVVVDLMNNLCS-ZDUSSCGKSA-N 1 1 332.364 0.760 20 5 ECBDMO COCCOC[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352794 165159579 /nfs/dbraw/zinc/15/95/79/165159579.db2.gz GVBKDXHJAPWAFF-GXTWGEPZSA-N 1 1 328.369 0.137 20 5 ECBDMO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccco1 ZINC000299624216 296874622 /nfs/dbraw/zinc/87/46/22/296874622.db2.gz MDJFEIWCAOCEME-GFCCVEGCSA-N 1 1 334.332 0.769 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000272951718 263381733 /nfs/dbraw/zinc/38/17/33/263381733.db2.gz XTNUXJUWDJSRCJ-GFCCVEGCSA-N 1 1 338.389 0.693 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000282251844 264029362 /nfs/dbraw/zinc/02/93/62/264029362.db2.gz GQBPQHLCKQAIMX-LKFCYVNXSA-N 1 1 336.348 0.656 20 5 ECBDMO NC(=O)[C@]1(O)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000285202969 264290329 /nfs/dbraw/zinc/29/03/29/264290329.db2.gz WSSBGEVNXKUHRK-INIZCTEOSA-N 1 1 346.343 0.714 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286149250 264375276 /nfs/dbraw/zinc/37/52/76/264375276.db2.gz INBZYMIDYSLKLK-CQSZACIVSA-N 1 1 333.392 0.920 20 5 ECBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413983 264396102 /nfs/dbraw/zinc/39/61/02/264396102.db2.gz KEQBWNXFXZPFHK-GXTWGEPZSA-N 1 1 339.396 0.533 20 5 ECBDMO CC(C)(C)OC(=O)C1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000296079778 265094164 /nfs/dbraw/zinc/09/41/64/265094164.db2.gz YLBPEEWUISSLTF-LBPRGKRZSA-N 1 1 326.353 0.426 20 5 ECBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[NH+]1CCOCC1 ZINC000298271734 265234103 /nfs/dbraw/zinc/23/41/03/265234103.db2.gz DXLYJSWXAKCGJE-ZDUSSCGKSA-N 1 1 337.380 0.857 20 5 ECBDMO C[C@H]([NH3+])C[C@H](C)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937488 274503399 /nfs/dbraw/zinc/50/33/99/274503399.db2.gz CMZIJZSZBXAJIH-QWRGUYRKSA-N 1 1 330.410 0.589 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000345021139 298108272 /nfs/dbraw/zinc/10/82/72/298108272.db2.gz UQXMAUYKAJOUMX-INIZCTEOSA-N 1 1 337.376 0.855 20 5 ECBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346200050 298238473 /nfs/dbraw/zinc/23/84/73/298238473.db2.gz QVWNGRMZCNPBLQ-IHRRRGAJSA-N 1 1 348.403 0.945 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3[C@H](CO)CC[C@H]3CO)o2)cc1 ZINC000347346314 298439563 /nfs/dbraw/zinc/43/95/63/298439563.db2.gz UBCQHABULGICLD-STQMWFEESA-N 1 1 334.332 0.962 20 5 ECBDMO CCOc1cc(N2CC[NH+]([C@@H]3COC[C@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000361396877 300089404 /nfs/dbraw/zinc/08/94/04/300089404.db2.gz VLZLLRSSYPXKQE-HUUCEWRRSA-N 1 1 337.376 0.875 20 5 ECBDMO COc1ccnc(N2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000364056248 300322552 /nfs/dbraw/zinc/32/25/52/300322552.db2.gz LBPZYZYSRRUSRG-UHFFFAOYSA-N 1 1 347.379 0.802 20 5 ECBDMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340097 300347212 /nfs/dbraw/zinc/34/72/12/300347212.db2.gz RJMFZABBNRAABN-TZMCWYRMSA-N 1 1 337.380 0.412 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000072796882 436053729 /nfs/dbraw/zinc/05/37/29/436053729.db2.gz YQKIMEYMPWJJFD-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000072796882 436053733 /nfs/dbraw/zinc/05/37/33/436053733.db2.gz YQKIMEYMPWJJFD-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO Cc1[nH+]c(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c2n1CCCC2 ZINC000371301969 300906086 /nfs/dbraw/zinc/90/60/86/300906086.db2.gz WZDCAKZGXXSZSB-UHFFFAOYSA-N 1 1 345.359 0.914 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(=O)N(C)C ZINC000026257915 436161839 /nfs/dbraw/zinc/16/18/39/436161839.db2.gz JJFDNMWTWBXSON-UHFFFAOYSA-N 1 1 338.364 0.952 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637735 301117604 /nfs/dbraw/zinc/11/76/04/301117604.db2.gz RZCPFUFEKBIVPQ-RNJOBUHISA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637735 301117606 /nfs/dbraw/zinc/11/76/06/301117606.db2.gz RZCPFUFEKBIVPQ-RNJOBUHISA-N 1 1 338.364 0.975 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375325731 301168072 /nfs/dbraw/zinc/16/80/72/301168072.db2.gz AFCRTIHZZCZZOJ-STQMWFEESA-N 1 1 333.348 0.873 20 5 ECBDMO C[C@H](CS(C)(=O)=O)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075743224 436172686 /nfs/dbraw/zinc/17/26/86/436172686.db2.gz JUOAJSSLBRCTNV-ZWNOBZJWSA-N 1 1 346.409 0.050 20 5 ECBDMO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075743224 436172688 /nfs/dbraw/zinc/17/26/88/436172688.db2.gz JUOAJSSLBRCTNV-ZWNOBZJWSA-N 1 1 346.409 0.050 20 5 ECBDMO CC(=O)N1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000028694873 436192487 /nfs/dbraw/zinc/19/24/87/436192487.db2.gz HQKWGRVQZQXLEZ-HNNXBMFYSA-N 1 1 337.376 0.889 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000076459257 436208319 /nfs/dbraw/zinc/20/83/19/436208319.db2.gz OLXDXJYDFLRWBL-JTQLQIEISA-N 1 1 340.405 0.974 20 5 ECBDMO CC(C)C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000044695642 436345212 /nfs/dbraw/zinc/34/52/12/436345212.db2.gz QGWFDGNGZCTXGI-CYBMUJFWSA-N 1 1 339.396 0.654 20 5 ECBDMO C[C@@]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)(C(N)=O)c1ccccc1 ZINC000090553670 436432485 /nfs/dbraw/zinc/43/24/85/436432485.db2.gz ZOEKMYYLRLKTRC-INIZCTEOSA-N 1 1 330.344 0.747 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000090550907 436432575 /nfs/dbraw/zinc/43/25/75/436432575.db2.gz RSXZTALDGVBCGF-AWEZNQCLSA-N 1 1 336.392 0.553 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000545154493 302231226 /nfs/dbraw/zinc/23/12/26/302231226.db2.gz OHHKMIFJUSWLRT-HNNXBMFYSA-N 1 1 337.332 0.162 20 5 ECBDMO Cc1nn(CCC(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000548062490 302282513 /nfs/dbraw/zinc/28/25/13/302282513.db2.gz ZAWFXHVPRPSJCD-UHFFFAOYSA-N 1 1 347.379 0.870 20 5 ECBDMO Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000137068955 436654958 /nfs/dbraw/zinc/65/49/58/436654958.db2.gz HGIFRPQXXDQSAU-OAHLLOKOSA-N 1 1 330.344 0.780 20 5 ECBDMO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000151303063 436699886 /nfs/dbraw/zinc/69/98/86/436699886.db2.gz BDXJQRYMEARLNL-GFCCVEGCSA-N 1 1 340.384 0.059 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000067289093 436710058 /nfs/dbraw/zinc/71/00/58/436710058.db2.gz CHKQOCJLFVCQPU-BETUJISGSA-N 1 1 339.396 0.797 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000067998207 436730619 /nfs/dbraw/zinc/73/06/19/436730619.db2.gz ZFMRNMOZCPWTMN-CQSZACIVSA-N 1 1 337.380 0.505 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000248657254 436808365 /nfs/dbraw/zinc/80/83/65/436808365.db2.gz FHFLQCLCRPUAMQ-QWRGUYRKSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1 ZINC000248657254 436808367 /nfs/dbraw/zinc/80/83/67/436808367.db2.gz FHFLQCLCRPUAMQ-QWRGUYRKSA-N 1 1 325.369 0.338 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000126615180 436788697 /nfs/dbraw/zinc/78/86/97/436788697.db2.gz IBCSGBIFZKXUHP-PWSUYJOCSA-N 1 1 325.369 0.325 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000126615180 436788699 /nfs/dbraw/zinc/78/86/99/436788699.db2.gz IBCSGBIFZKXUHP-PWSUYJOCSA-N 1 1 325.369 0.325 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249606454 436824805 /nfs/dbraw/zinc/82/48/05/436824805.db2.gz ZVDKOXVXQYQWNH-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249606454 436824808 /nfs/dbraw/zinc/82/48/08/436824808.db2.gz ZVDKOXVXQYQWNH-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO Cc1nn(C)c(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000161860692 436897897 /nfs/dbraw/zinc/89/78/97/436897897.db2.gz IUVLGMUEVKHKNO-GFCCVEGCSA-N 1 1 336.396 0.555 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262094240 436908085 /nfs/dbraw/zinc/90/80/85/436908085.db2.gz YTLVJUYOWFBKOY-ZDUSSCGKSA-N 1 1 330.348 0.668 20 5 ECBDMO C[C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000294061523 436932336 /nfs/dbraw/zinc/93/23/36/436932336.db2.gz VAGFACISDYXLAO-TXEJJXNPSA-N 1 1 334.376 0.876 20 5 ECBDMO C[N@H+]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298111449 437027621 /nfs/dbraw/zinc/02/76/21/437027621.db2.gz YMVOQBLEQSRGGM-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000172199152 437003359 /nfs/dbraw/zinc/00/33/59/437003359.db2.gz QVQNZBAQJCJXHF-QPJJXVBHSA-N 1 1 346.387 0.888 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000172199505 437003382 /nfs/dbraw/zinc/00/33/82/437003382.db2.gz RCCOWQCDKHNZBZ-UHFFFAOYSA-N 1 1 335.364 0.071 20 5 ECBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000297141698 437006232 /nfs/dbraw/zinc/00/62/32/437006232.db2.gz CMWIRXORURDBHX-HNNXBMFYSA-N 1 1 336.396 0.919 20 5 ECBDMO C[C@H](CO)[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](C)O ZINC000282098515 437010172 /nfs/dbraw/zinc/01/01/72/437010172.db2.gz PBMBTUUWGVRALI-NEPJUHHUSA-N 1 1 325.365 0.987 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000284744141 437068726 /nfs/dbraw/zinc/06/87/26/437068726.db2.gz DVSCZOMAILZLPE-HUUCEWRRSA-N 1 1 334.376 0.938 20 5 ECBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000175204097 437096968 /nfs/dbraw/zinc/09/69/68/437096968.db2.gz MCSQZSXVCFMDKG-OCCSQVGLSA-N 1 1 337.376 0.922 20 5 ECBDMO O=C(CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000175882453 437119882 /nfs/dbraw/zinc/11/98/82/437119882.db2.gz PXOJLEVFUPRFMH-LLVKDONJSA-N 1 1 333.348 0.633 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000175882453 437119886 /nfs/dbraw/zinc/11/98/86/437119886.db2.gz PXOJLEVFUPRFMH-LLVKDONJSA-N 1 1 333.348 0.633 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277622991 437239113 /nfs/dbraw/zinc/23/91/13/437239113.db2.gz WJEWHTAATAHLNL-ZDUSSCGKSA-N 1 1 334.376 0.890 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266815344 437249629 /nfs/dbraw/zinc/24/96/29/437249629.db2.gz WHHBCDOEQRIDPT-AWEZNQCLSA-N 1 1 335.408 0.682 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)CCOCC(F)(F)F)n1 ZINC000267051727 437285791 /nfs/dbraw/zinc/28/57/91/437285791.db2.gz GIJIPONGSMEWBG-UHFFFAOYSA-N 1 1 326.275 0.665 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113677 437291795 /nfs/dbraw/zinc/29/17/95/437291795.db2.gz YFTXXUCWQWVPIY-CHWSQXEVSA-N 1 1 339.396 0.654 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000184787628 437413542 /nfs/dbraw/zinc/41/35/42/437413542.db2.gz BHRDOUUFVKYLMD-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000268426632 437415588 /nfs/dbraw/zinc/41/55/88/437415588.db2.gz MICUINLHCVZGIY-UHFFFAOYSA-N 1 1 330.348 0.873 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CC)c([N+](=O)[O-])n1 ZINC000339039387 437435693 /nfs/dbraw/zinc/43/56/93/437435693.db2.gz BRWCAFLEGDLBST-LLVKDONJSA-N 1 1 345.425 0.964 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CC)c([N+](=O)[O-])n1 ZINC000339039387 437435696 /nfs/dbraw/zinc/43/56/96/437435696.db2.gz BRWCAFLEGDLBST-LLVKDONJSA-N 1 1 345.425 0.964 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289824682 437442547 /nfs/dbraw/zinc/44/25/47/437442547.db2.gz OIGKMDBIJJFDIT-SNVBAGLBSA-N 1 1 329.328 0.738 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290550606 437500846 /nfs/dbraw/zinc/50/08/46/437500846.db2.gz DYIBMXIXBYHLKO-UHFFFAOYSA-N 1 1 326.401 0.250 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290550606 437500850 /nfs/dbraw/zinc/50/08/50/437500850.db2.gz DYIBMXIXBYHLKO-UHFFFAOYSA-N 1 1 326.401 0.250 20 5 ECBDMO C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187720292 437512384 /nfs/dbraw/zinc/51/23/84/437512384.db2.gz UUWJCTIDAWXJNF-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187720292 437512388 /nfs/dbraw/zinc/51/23/88/437512388.db2.gz UUWJCTIDAWXJNF-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CCO ZINC000187720292 437512393 /nfs/dbraw/zinc/51/23/93/437512393.db2.gz UUWJCTIDAWXJNF-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000261606387 304806628 /nfs/dbraw/zinc/80/66/28/304806628.db2.gz AKXRAKFDXGPKFS-UHFFFAOYSA-N 1 1 346.384 0.308 20 5 ECBDMO C[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH+](C)CC1 ZINC000188563828 437557670 /nfs/dbraw/zinc/55/76/70/437557670.db2.gz BRDOMICCKDBNDQ-ZDUSSCGKSA-N 1 1 348.403 0.820 20 5 ECBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CC(C)(C)O ZINC000188696610 437562545 /nfs/dbraw/zinc/56/25/45/437562545.db2.gz WZOKZBSWCZOQBI-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CC(C)(C)O ZINC000188696610 437562552 /nfs/dbraw/zinc/56/25/52/437562552.db2.gz WZOKZBSWCZOQBI-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330686802 437589191 /nfs/dbraw/zinc/58/91/91/437589191.db2.gz MWYCYNPOYQTAGO-NWDGAFQWSA-N 1 1 339.396 0.440 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330686802 437589195 /nfs/dbraw/zinc/58/91/95/437589195.db2.gz MWYCYNPOYQTAGO-NWDGAFQWSA-N 1 1 339.396 0.440 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291790498 437627833 /nfs/dbraw/zinc/62/78/33/437627833.db2.gz MRMVRTLSROKOLY-IRXDYDNUSA-N 1 1 346.387 0.788 20 5 ECBDMO COCC[N@H+](Cc1cccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000191246367 437651035 /nfs/dbraw/zinc/65/10/35/437651035.db2.gz NARKZGALOQITML-OAHLLOKOSA-N 1 1 335.364 0.696 20 5 ECBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292373461 437685880 /nfs/dbraw/zinc/68/58/80/437685880.db2.gz YTJFUFXPJMTOTD-CYBMUJFWSA-N 1 1 343.405 0.939 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192921121 437696245 /nfs/dbraw/zinc/69/62/45/437696245.db2.gz QETFNQGYUVPNDN-BETUJISGSA-N 1 1 325.390 0.918 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000331166941 437704763 /nfs/dbraw/zinc/70/47/63/437704763.db2.gz YKMDSTRWWVTKKA-NSHDSACASA-N 1 1 342.346 0.778 20 5 ECBDMO O=C(CNC(=O)c1n[nH]cc1[N+](=O)[O-])NCC[NH+]1CCCCCC1 ZINC000356452047 437766970 /nfs/dbraw/zinc/76/69/70/437766970.db2.gz HVXKUYRMSNFHGI-UHFFFAOYSA-N 1 1 338.368 0.040 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340888240 437755038 /nfs/dbraw/zinc/75/50/38/437755038.db2.gz FSKROBHIBMNMNI-AWEZNQCLSA-N 1 1 348.359 0.513 20 5 ECBDMO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340888240 437755042 /nfs/dbraw/zinc/75/50/42/437755042.db2.gz FSKROBHIBMNMNI-AWEZNQCLSA-N 1 1 348.359 0.513 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CC1 ZINC000357433039 437985270 /nfs/dbraw/zinc/98/52/70/437985270.db2.gz CMUFUDYQCFDZLB-ZDUSSCGKSA-N 1 1 334.332 0.867 20 5 ECBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1 ZINC000366117163 438021395 /nfs/dbraw/zinc/02/13/95/438021395.db2.gz CMDPDFIOSSDKAP-ZWNOBZJWSA-N 1 1 336.348 0.498 20 5 ECBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C(N)=O)O1 ZINC000366117163 438021401 /nfs/dbraw/zinc/02/14/01/438021401.db2.gz CMDPDFIOSSDKAP-ZWNOBZJWSA-N 1 1 336.348 0.498 20 5 ECBDMO CS[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000342543606 438027519 /nfs/dbraw/zinc/02/75/19/438027519.db2.gz KFRCZRPKRIZKJQ-RWMBFGLXSA-N 1 1 329.426 0.130 20 5 ECBDMO CS[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000342543606 438027525 /nfs/dbraw/zinc/02/75/25/438027525.db2.gz KFRCZRPKRIZKJQ-RWMBFGLXSA-N 1 1 329.426 0.130 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000342349868 438006369 /nfs/dbraw/zinc/00/63/69/438006369.db2.gz BPVDTLFOGYFNMP-LLVKDONJSA-N 1 1 338.364 0.986 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000342349868 438006376 /nfs/dbraw/zinc/00/63/76/438006376.db2.gz BPVDTLFOGYFNMP-LLVKDONJSA-N 1 1 338.364 0.986 20 5 ECBDMO CC[NH+]1CCN(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000357896052 438093373 /nfs/dbraw/zinc/09/33/73/438093373.db2.gz SXAQVUXZDPZOTA-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372289938 438064128 /nfs/dbraw/zinc/06/41/28/438064128.db2.gz SVTPWFGBDRCRQO-NEPJUHHUSA-N 1 1 326.353 0.834 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401603 438066207 /nfs/dbraw/zinc/06/62/07/438066207.db2.gz AEIMVXCMHPDUKT-CHWSQXEVSA-N 1 1 346.343 0.152 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000366401603 438066215 /nfs/dbraw/zinc/06/62/15/438066215.db2.gz AEIMVXCMHPDUKT-CHWSQXEVSA-N 1 1 346.343 0.152 20 5 ECBDMO O=C([C@@H]1CCCO1)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712097 438108265 /nfs/dbraw/zinc/10/82/65/438108265.db2.gz DXYBFCVRVIGKTN-ZDUSSCGKSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@@H]1CCCO1)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712097 438108268 /nfs/dbraw/zinc/10/82/68/438108268.db2.gz DXYBFCVRVIGKTN-ZDUSSCGKSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366759637 438121384 /nfs/dbraw/zinc/12/13/84/438121384.db2.gz RASIDOGIYZYLIW-GXTWGEPZSA-N 1 1 348.359 0.513 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000358052797 438133505 /nfs/dbraw/zinc/13/35/05/438133505.db2.gz UWDHQRGPRKCEEP-INIZCTEOSA-N 1 1 345.359 0.577 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000358056723 438135203 /nfs/dbraw/zinc/13/52/03/438135203.db2.gz AYTBCCKLKJPSDL-MRXNPFEDSA-N 1 1 345.359 0.577 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1C ZINC000358195838 438178120 /nfs/dbraw/zinc/17/81/20/438178120.db2.gz KDUYTSFFMDDZDB-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432389406 438192928 /nfs/dbraw/zinc/19/29/28/438192928.db2.gz VJSOQFFZSMOKRB-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432389406 438192932 /nfs/dbraw/zinc/19/29/32/438192932.db2.gz VJSOQFFZSMOKRB-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368068602 438283390 /nfs/dbraw/zinc/28/33/90/438283390.db2.gz BGSJNUGYTJXBAY-SUNKGSAMSA-N 1 1 332.360 0.990 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406792 438328073 /nfs/dbraw/zinc/32/80/73/438328073.db2.gz HMFRNGNUWJWLCP-JSGCOSHPSA-N 1 1 337.380 0.676 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406792 438328077 /nfs/dbraw/zinc/32/80/77/438328077.db2.gz HMFRNGNUWJWLCP-JSGCOSHPSA-N 1 1 337.380 0.676 20 5 ECBDMO Nc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455289 438330567 /nfs/dbraw/zinc/33/05/67/438330567.db2.gz OCHMDPOAUSZNAI-WCQYABFASA-N 1 1 347.379 0.404 20 5 ECBDMO NC(=O)c1nn(C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000352436483 438423280 /nfs/dbraw/zinc/42/32/80/438423280.db2.gz GYKFNQHQDBXSCF-ZDUSSCGKSA-N 1 1 345.359 0.309 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420638409 438416955 /nfs/dbraw/zinc/41/69/55/438416955.db2.gz PVAAKAABUNWWRS-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369473498 438478856 /nfs/dbraw/zinc/47/88/56/438478856.db2.gz WSRZZEWUJKWPEV-ZDUSSCGKSA-N 1 1 348.359 0.942 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000369473498 438478861 /nfs/dbraw/zinc/47/88/61/438478861.db2.gz WSRZZEWUJKWPEV-ZDUSSCGKSA-N 1 1 348.359 0.942 20 5 ECBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000369290010 438450833 /nfs/dbraw/zinc/45/08/33/438450833.db2.gz HOMLHLDXTMADSS-DHMWGJHJSA-N 1 1 340.380 0.421 20 5 ECBDMO CCC[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968942 438454060 /nfs/dbraw/zinc/45/40/60/438454060.db2.gz AUSLJWMVEJHHHZ-CYBMUJFWSA-N 1 1 345.421 0.966 20 5 ECBDMO Cc1nn(C)c(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000369349349 438457802 /nfs/dbraw/zinc/45/78/02/438457802.db2.gz YPCWRBKEOPZQMA-ZDUSSCGKSA-N 1 1 338.412 0.455 20 5 ECBDMO NC(=O)c1cccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000439169630 438501195 /nfs/dbraw/zinc/50/11/95/438501195.db2.gz PHEXOEFDQUZSEL-LBPRGKRZSA-N 1 1 334.376 0.852 20 5 ECBDMO C[C@@](O)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000359831144 438505410 /nfs/dbraw/zinc/50/54/10/438505410.db2.gz AYWOSBFQUMGKSU-OAHLLOKOSA-N 1 1 341.339 0.547 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494254635 438683156 /nfs/dbraw/zinc/68/31/56/438683156.db2.gz SWCFEJAIUNJJGN-OAHLLOKOSA-N 1 1 338.339 0.786 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451631702 438702586 /nfs/dbraw/zinc/70/25/86/438702586.db2.gz IPTJDYIAPWCNGY-TXEJJXNPSA-N 1 1 346.343 0.436 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000575239416 438743053 /nfs/dbraw/zinc/74/30/53/438743053.db2.gz YBESIQCPPBYPBQ-SCRDCRAPSA-N 1 1 326.349 0.010 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601129355 438821484 /nfs/dbraw/zinc/82/14/84/438821484.db2.gz GQQDPSKJTUFIQZ-UHFFFAOYSA-N 1 1 325.344 0.729 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863011 438845751 /nfs/dbraw/zinc/84/57/51/438845751.db2.gz NUMSCPMEDZWRNJ-STQMWFEESA-N 1 1 337.380 0.157 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000589930060 438893297 /nfs/dbraw/zinc/89/32/97/438893297.db2.gz RQPWOQMYPXOFKS-VHSXEESVSA-N 1 1 329.382 0.136 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000589930060 438893299 /nfs/dbraw/zinc/89/32/99/438893299.db2.gz RQPWOQMYPXOFKS-VHSXEESVSA-N 1 1 329.382 0.136 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000589930339 438893637 /nfs/dbraw/zinc/89/36/37/438893637.db2.gz WNJSYQLDCBXNMB-GXFFZTMASA-N 1 1 341.389 0.928 20 5 ECBDMO O=C(Nc1n[nH]c2ncnn12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000590379745 438913512 /nfs/dbraw/zinc/91/35/12/438913512.db2.gz ORPFOGNSZYJVAI-UHFFFAOYSA-N 1 1 339.275 0.799 20 5 ECBDMO O=c1[nH]ccc(NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC000596265166 438948989 /nfs/dbraw/zinc/94/89/89/438948989.db2.gz QHBKBZDVTSBCOW-UHFFFAOYSA-N 1 1 338.364 0.989 20 5 ECBDMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602434564 439086604 /nfs/dbraw/zinc/08/66/04/439086604.db2.gz GMSLLRLZTGLQOU-LBPRGKRZSA-N 1 1 337.380 0.399 20 5 ECBDMO NC(=O)c1ccc(CN2CCN(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000580692060 439118513 /nfs/dbraw/zinc/11/85/13/439118513.db2.gz HLNFADVTHIUDPN-UHFFFAOYSA-N 1 1 330.348 0.739 20 5 ECBDMO CC(C)(C(=O)NC[C@H]1C[N@H+]2CCN1CCC2)n1cc([N+](=O)[O-])cn1 ZINC000597624800 439141414 /nfs/dbraw/zinc/14/14/14/439141414.db2.gz LEORBLDVXAVOAP-LBPRGKRZSA-N 1 1 336.396 0.033 20 5 ECBDMO CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873254 439150394 /nfs/dbraw/zinc/15/03/94/439150394.db2.gz IFYBQYYCDACHKW-KGLIPLIRSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873254 439150401 /nfs/dbraw/zinc/15/04/01/439150401.db2.gz IFYBQYYCDACHKW-KGLIPLIRSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@H+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873254 439150405 /nfs/dbraw/zinc/15/04/05/439150405.db2.gz IFYBQYYCDACHKW-KGLIPLIRSA-N 1 1 325.413 0.814 20 5 ECBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598451523 439264206 /nfs/dbraw/zinc/26/42/06/439264206.db2.gz AYGDLYYGOMPSPF-AWEZNQCLSA-N 1 1 335.360 0.972 20 5 ECBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598451523 439264210 /nfs/dbraw/zinc/26/42/10/439264210.db2.gz AYGDLYYGOMPSPF-AWEZNQCLSA-N 1 1 335.360 0.972 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000604199877 439301153 /nfs/dbraw/zinc/30/11/53/439301153.db2.gz VMYGOSMGNPSWQO-LLVKDONJSA-N 1 1 348.359 0.531 20 5 ECBDMO COCC[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101674 439344044 /nfs/dbraw/zinc/34/40/44/439344044.db2.gz RFVACACHJLRDTQ-AWEZNQCLSA-N 1 1 341.412 0.195 20 5 ECBDMO COCCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101674 439344050 /nfs/dbraw/zinc/34/40/50/439344050.db2.gz RFVACACHJLRDTQ-AWEZNQCLSA-N 1 1 341.412 0.195 20 5 ECBDMO COCCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593101674 439344056 /nfs/dbraw/zinc/34/40/56/439344056.db2.gz RFVACACHJLRDTQ-AWEZNQCLSA-N 1 1 341.412 0.195 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1 ZINC000593320240 439366904 /nfs/dbraw/zinc/36/69/04/439366904.db2.gz BNHYNOPTACTENQ-CQSZACIVSA-N 1 1 344.375 0.572 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](Cc2ccccc2)C1 ZINC000593320240 439366908 /nfs/dbraw/zinc/36/69/08/439366908.db2.gz BNHYNOPTACTENQ-CQSZACIVSA-N 1 1 344.375 0.572 20 5 ECBDMO CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000570198320 439399977 /nfs/dbraw/zinc/39/99/77/439399977.db2.gz UKHVEFKWOMUQQS-CYBMUJFWSA-N 1 1 346.387 0.690 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)cn1 ZINC000599259560 439404386 /nfs/dbraw/zinc/40/43/86/439404386.db2.gz MSXBBLKSIOPIOT-CQSZACIVSA-N 1 1 336.392 0.778 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000599214188 439384280 /nfs/dbraw/zinc/38/42/80/439384280.db2.gz VKJJFJVDMAVXCN-VIFPVBQESA-N 1 1 329.382 0.091 20 5 ECBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599288321 439418931 /nfs/dbraw/zinc/41/89/31/439418931.db2.gz RFMUFDIJXHNQGP-QWRGUYRKSA-N 1 1 345.425 0.727 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC000599325070 439431579 /nfs/dbraw/zinc/43/15/79/439431579.db2.gz DYKUWZYVWPNCCH-SNVBAGLBSA-N 1 1 331.398 0.339 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000599325070 439431584 /nfs/dbraw/zinc/43/15/84/439431584.db2.gz DYKUWZYVWPNCCH-SNVBAGLBSA-N 1 1 331.398 0.339 20 5 ECBDMO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325920 439434575 /nfs/dbraw/zinc/43/45/75/439434575.db2.gz MJOTYEFKKCROBL-YPMHNXCESA-N 1 1 338.364 0.790 20 5 ECBDMO Cn1cnnc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000594024023 439509955 /nfs/dbraw/zinc/50/99/55/439509955.db2.gz WUZVBDMBNDVILE-UHFFFAOYSA-N 1 1 332.364 0.924 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027992 439508955 /nfs/dbraw/zinc/50/89/55/439508955.db2.gz YIWYWGGLJBJRAS-UONOGXRCSA-N 1 1 334.376 0.593 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198955 439525721 /nfs/dbraw/zinc/52/57/21/439525721.db2.gz WMEULGDLIZIONK-UONOGXRCSA-N 1 1 334.376 0.890 20 5 ECBDMO CNc1nccc(C(=O)NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000571820206 439534738 /nfs/dbraw/zinc/53/47/38/439534738.db2.gz QDVAUARSHBIBKJ-UHFFFAOYSA-N 1 1 330.348 1.494 20 5 ECBDMO Nc1nccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000594291518 439534949 /nfs/dbraw/zinc/53/49/49/439534949.db2.gz IIUHPEHXRVXZEN-NWDGAFQWSA-N 1 1 335.364 0.243 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC2)C1 ZINC000594293583 439537636 /nfs/dbraw/zinc/53/76/36/439537636.db2.gz YCPCQUMUYNOFLN-GFCCVEGCSA-N 1 1 348.407 0.424 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000599693061 439538842 /nfs/dbraw/zinc/53/88/42/439538842.db2.gz WAUZWBVWFWNIHO-LLVKDONJSA-N 1 1 331.398 0.053 20 5 ECBDMO CC(=O)NC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705607 439540270 /nfs/dbraw/zinc/54/02/70/439540270.db2.gz XQXKEVLCQCXFGK-GXTWGEPZSA-N 1 1 325.369 0.143 20 5 ECBDMO CNc1nccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000571895425 439541333 /nfs/dbraw/zinc/54/13/33/439541333.db2.gz STYGSEIXDSZRPM-LLVKDONJSA-N 1 1 337.380 0.608 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594394630 439554590 /nfs/dbraw/zinc/55/45/90/439554590.db2.gz YVGHCSAXGBTOJI-QWHCGFSZSA-N 1 1 335.360 0.423 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609307119 439564286 /nfs/dbraw/zinc/56/42/86/439564286.db2.gz QYSUGJWAKJFOBE-ZDUSSCGKSA-N 1 1 335.364 0.477 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000610263315 439606813 /nfs/dbraw/zinc/60/68/13/439606813.db2.gz YEOWNWRZEIMEEQ-LLVKDONJSA-N 1 1 326.378 0.752 20 5 ECBDMO CC[NH+](CC)CCOCCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594773975 439607775 /nfs/dbraw/zinc/60/77/75/439607775.db2.gz UOVDLCYIJJQMBT-UHFFFAOYSA-N 1 1 346.409 0.627 20 5 ECBDMO C[NH+]1CCN(CC(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000610340029 439611088 /nfs/dbraw/zinc/61/10/88/439611088.db2.gz OFZZAHUJFSAHQI-ZDUSSCGKSA-N 1 1 348.407 0.250 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600807969 439704179 /nfs/dbraw/zinc/70/41/79/439704179.db2.gz GEDWNILTYAPJTP-NSHDSACASA-N 1 1 330.344 0.939 20 5 ECBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000595344085 439709181 /nfs/dbraw/zinc/70/91/81/439709181.db2.gz LHEHFEXZJSMYHP-AWEZNQCLSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)CN1CCOCC1 ZINC000595344085 439709184 /nfs/dbraw/zinc/70/91/84/439709184.db2.gz LHEHFEXZJSMYHP-AWEZNQCLSA-N 1 1 327.356 0.859 20 5 ECBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1F ZINC000600535180 439674520 /nfs/dbraw/zinc/67/45/20/439674520.db2.gz QBWOQZXKSNSNLV-SECBINFHSA-N 1 1 327.312 0.539 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365827 321086935 /nfs/dbraw/zinc/08/69/35/321086935.db2.gz VTSYZLFPRXXSTI-YPMHNXCESA-N 1 1 338.364 0.338 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C(N)=O ZINC000345107557 321174533 /nfs/dbraw/zinc/17/45/33/321174533.db2.gz TUEMIGQCHOQCKS-LBPRGKRZSA-N 1 1 336.348 0.882 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347641931 321246820 /nfs/dbraw/zinc/24/68/20/321246820.db2.gz AFYFLEDGJBNQMM-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888607 322047636 /nfs/dbraw/zinc/04/76/36/322047636.db2.gz IWIJRIKQCRUGIL-UHFFFAOYSA-N 1 1 335.408 0.993 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000420431397 546211814 /nfs/dbraw/zinc/21/18/14/546211814.db2.gz XGCRIFBQCUEOBB-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO C[N@@H+](CCO)C1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736801343 578453370 /nfs/dbraw/zinc/45/33/70/578453370.db2.gz IJRXIWZEJTVAHL-UHFFFAOYSA-N 1 1 347.379 0.668 20 5 ECBDMO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000788006080 578825297 /nfs/dbraw/zinc/82/52/97/578825297.db2.gz LHIOGMAFXKCIEO-NSHDSACASA-N 1 1 342.787 0.980 20 5 ECBDMO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000788006080 578825298 /nfs/dbraw/zinc/82/52/98/578825298.db2.gz LHIOGMAFXKCIEO-NSHDSACASA-N 1 1 342.787 0.980 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000742285474 579785091 /nfs/dbraw/zinc/78/50/91/579785091.db2.gz DSZGMKGSOBXPHE-WDEREUQCSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000742285474 579785093 /nfs/dbraw/zinc/78/50/93/579785093.db2.gz DSZGMKGSOBXPHE-WDEREUQCSA-N 1 1 342.377 0.131 20 5 ECBDMO CN1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888980988 586241261 /nfs/dbraw/zinc/24/12/61/586241261.db2.gz WYOUIFGCBGSCNH-UHFFFAOYSA-N 1 1 338.383 0.982 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896566926 586256243 /nfs/dbraw/zinc/25/62/43/586256243.db2.gz FGBYQBYOSFPDJO-NHYWBVRUSA-N 1 1 336.392 0.968 20 5 ECBDMO COc1cc(Cc2noc(CN3CC[NH2+]CC3=O)n2)ccc1[N+](=O)[O-] ZINC000843192406 589053261 /nfs/dbraw/zinc/05/32/61/589053261.db2.gz URHTUZCBCHJNLK-UHFFFAOYSA-N 1 1 347.331 0.509 20 5 ECBDMO C[C@@H]([NH3+])c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000843215189 589054137 /nfs/dbraw/zinc/05/41/37/589054137.db2.gz FNOYRFZOCWVVPC-SSDOTTSWSA-N 1 1 349.303 0.950 20 5 ECBDMO O=C1OCCN1CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839035653 586833859 /nfs/dbraw/zinc/83/38/59/586833859.db2.gz ZLMINVNDBFAELR-UHFFFAOYSA-N 1 1 335.364 0.954 20 5 ECBDMO COc1ccc(CNC(=O)C2CN(C)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000906356213 586945038 /nfs/dbraw/zinc/94/50/38/586945038.db2.gz PJCHCFAVOPOXPQ-UHFFFAOYSA-N 1 1 336.392 0.713 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000804431127 587085068 /nfs/dbraw/zinc/08/50/68/587085068.db2.gz ZTKNKHMBKMRSGC-UHFFFAOYSA-N 1 1 336.377 0.785 20 5 ECBDMO CC[N@@H+](C)C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821164539 587576187 /nfs/dbraw/zinc/57/61/87/587576187.db2.gz GUCAJZQDUQDSCA-SNVBAGLBSA-N 1 1 332.368 0.948 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000826707618 588079870 /nfs/dbraw/zinc/07/98/70/588079870.db2.gz KIABGJUSFFWFIU-ZDUSSCGKSA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000826707618 588079872 /nfs/dbraw/zinc/07/98/72/588079872.db2.gz KIABGJUSFFWFIU-ZDUSSCGKSA-N 1 1 325.340 0.801 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853517735 589545480 /nfs/dbraw/zinc/54/54/80/589545480.db2.gz CSCUBYCSWPRSQY-NSHDSACASA-N 1 1 330.348 0.879 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853517735 589545481 /nfs/dbraw/zinc/54/54/81/589545481.db2.gz CSCUBYCSWPRSQY-NSHDSACASA-N 1 1 330.348 0.879 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856253003 589657929 /nfs/dbraw/zinc/65/79/29/589657929.db2.gz CUYMNRZUUQSSBY-ZDUSSCGKSA-N 1 1 334.376 0.848 20 5 ECBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000858628915 589761850 /nfs/dbraw/zinc/76/18/50/589761850.db2.gz SXQIJGFKFQEZLQ-SECBINFHSA-N 1 1 335.769 0.515 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1nc2ccccn2c1[N+](=O)[O-] ZINC000858688022 589766542 /nfs/dbraw/zinc/76/65/42/589766542.db2.gz WOYZPRDRNBRRQA-NSHDSACASA-N 1 1 332.364 0.994 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072492 590365987 /nfs/dbraw/zinc/36/59/87/590365987.db2.gz VYVOCEMYQVSTIH-UONOGXRCSA-N 1 1 348.403 0.983 20 5 ECBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880303893 590382492 /nfs/dbraw/zinc/38/24/92/590382492.db2.gz SHQLJMPCWIUWIK-GHMZBOCLSA-N 1 1 338.286 0.805 20 5 ECBDMO O=C(C[N@@H+]1C[C@H]2C[C@@]2(O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880416622 590391296 /nfs/dbraw/zinc/39/12/96/590391296.db2.gz UZZYBNFDUHWSLL-CXAGYDPISA-N 1 1 346.387 0.310 20 5 ECBDMO O=C(C[N@H+]1CC=C[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880487765 590396325 /nfs/dbraw/zinc/39/63/25/590396325.db2.gz OFXLTDOJOPROIQ-MRXNPFEDSA-N 1 1 346.387 0.476 20 5 ECBDMO O=C(C[N@@H+]1CC=C[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880487765 590396329 /nfs/dbraw/zinc/39/63/29/590396329.db2.gz OFXLTDOJOPROIQ-MRXNPFEDSA-N 1 1 346.387 0.476 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cc(F)ncn2)CC1 ZINC000878676860 590534918 /nfs/dbraw/zinc/53/49/18/590534918.db2.gz BINOUFPVCWFRNI-UHFFFAOYSA-N 1 1 335.343 0.851 20 5 ECBDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175416 590800372 /nfs/dbraw/zinc/80/03/72/590800372.db2.gz ZWBGPCCSUIFDDE-JSGCOSHPSA-N 1 1 325.365 0.836 20 5 ECBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175416 590800376 /nfs/dbraw/zinc/80/03/76/590800376.db2.gz ZWBGPCCSUIFDDE-JSGCOSHPSA-N 1 1 325.365 0.836 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889781087 591095490 /nfs/dbraw/zinc/09/54/90/591095490.db2.gz LICYIRWSMJDOKN-LSDHHAIUSA-N 1 1 334.376 0.969 20 5 ECBDMO CS(=O)(=O)N1CC(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000930100736 611390322 /nfs/dbraw/zinc/39/03/22/611390322.db2.gz YOTKFCCVPYBSRA-UHFFFAOYSA-N 1 1 325.390 0.844 20 5 ECBDMO CS(=O)(=O)N1CC(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000930100736 611390324 /nfs/dbraw/zinc/39/03/24/611390324.db2.gz YOTKFCCVPYBSRA-UHFFFAOYSA-N 1 1 325.390 0.844 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2C)c1F ZINC000924976947 611444275 /nfs/dbraw/zinc/44/42/75/611444275.db2.gz AIHDBNDBXBJWRH-DTWKUNHWSA-N 1 1 329.303 0.976 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930845065 611473068 /nfs/dbraw/zinc/47/30/68/611473068.db2.gz FVFIMLHHEWCMMV-LBPRGKRZSA-N 1 1 341.408 0.918 20 5 ECBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000931403897 611536691 /nfs/dbraw/zinc/53/66/91/611536691.db2.gz QLWULYFSMKFWLL-GFCCVEGCSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000931403897 611536695 /nfs/dbraw/zinc/53/66/95/611536695.db2.gz QLWULYFSMKFWLL-GFCCVEGCSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1CO ZINC000931403897 611536699 /nfs/dbraw/zinc/53/66/99/611536699.db2.gz QLWULYFSMKFWLL-GFCCVEGCSA-N 1 1 340.355 0.671 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928092707 608675062 /nfs/dbraw/zinc/67/50/62/608675062.db2.gz IVFBDKVQKKCTEE-NWDGAFQWSA-N 1 1 325.394 0.487 20 5 ECBDMO CN(CC[N@@H+](C)CCO)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000912607909 609977328 /nfs/dbraw/zinc/97/73/28/609977328.db2.gz AFWYIGAAPXKSSO-UHFFFAOYSA-N 1 1 329.328 0.495 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775920 739945098 /nfs/dbraw/zinc/94/50/98/739945098.db2.gz QLPUZPFNLMPWAC-ZNLHFFCSSA-N 1 1 343.343 0.434 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc4nonc4c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775920 739945102 /nfs/dbraw/zinc/94/51/02/739945102.db2.gz QLPUZPFNLMPWAC-ZNLHFFCSSA-N 1 1 343.343 0.434 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3ccc4nonc4c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775920 739945105 /nfs/dbraw/zinc/94/51/05/739945105.db2.gz QLPUZPFNLMPWAC-ZNLHFFCSSA-N 1 1 343.343 0.434 20 5 ECBDMO NC(=O)c1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000983649116 744992824 /nfs/dbraw/zinc/99/28/24/744992824.db2.gz NZQQARLMIDLOLY-NMFUWQPSSA-N 1 1 346.387 0.435 20 5 ECBDMO O=C(NCC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001001806782 746737617 /nfs/dbraw/zinc/73/76/17/746737617.db2.gz YSZSHUQSHRRXFQ-ZIAGYGMSSA-N 1 1 343.343 0.188 20 5 ECBDMO O=C(NC1CC[NH+](CCCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002784205 747782126 /nfs/dbraw/zinc/78/21/26/747782126.db2.gz HLIOUKCGCZHSKO-ZIAGYGMSSA-N 1 1 338.408 0.245 20 5 ECBDMO Cc1cccc(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936964 756768358 /nfs/dbraw/zinc/76/83/58/756768358.db2.gz YWTDRLLFNLPNBQ-CHWSQXEVSA-N 1 1 334.376 0.613 20 5 ECBDMO Cc1ccccc1CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126943530 756907176 /nfs/dbraw/zinc/90/71/76/756907176.db2.gz PZZCCRBNDMVOIW-HUUCEWRRSA-N 1 1 348.403 0.025 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107200558 757592007 /nfs/dbraw/zinc/59/20/07/757592007.db2.gz OQZZZBNMLPGFPD-IHWYPQMZSA-N 1 1 346.351 0.256 20 5 ECBDMO COCC(=O)N1CC2(C1)CC[NH+](Cc1c([N+](=O)[O-])ncn1C)CC2 ZINC001050394988 760223868 /nfs/dbraw/zinc/22/38/68/760223868.db2.gz DTOAVKICGWVCQX-UHFFFAOYSA-N 1 1 337.380 0.399 20 5 ECBDMO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC001031636630 771556404 /nfs/dbraw/zinc/55/64/04/771556404.db2.gz JLCAIGZDSXEPOA-UHFFFAOYSA-N 1 1 346.387 0.621 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073092160 789428731 /nfs/dbraw/zinc/42/87/31/789428731.db2.gz PQCBJRIXKZEEKP-CHWSQXEVSA-N 1 1 340.424 0.489 20 5 ECBDMO CC(C)[N@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073092160 789428734 /nfs/dbraw/zinc/42/87/34/789428734.db2.gz PQCBJRIXKZEEKP-CHWSQXEVSA-N 1 1 340.424 0.489 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073092160 789428742 /nfs/dbraw/zinc/42/87/42/789428742.db2.gz PQCBJRIXKZEEKP-CHWSQXEVSA-N 1 1 340.424 0.489 20 5 ECBDMO CC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073254401 789659088 /nfs/dbraw/zinc/65/90/88/789659088.db2.gz GTBFTHRCIVZBSI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[N@H+](C)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073254401 789659096 /nfs/dbraw/zinc/65/90/96/789659096.db2.gz GTBFTHRCIVZBSI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[N@@H+](C)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073254401 789659100 /nfs/dbraw/zinc/65/91/00/789659100.db2.gz GTBFTHRCIVZBSI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181944426 529913432 /nfs/dbraw/zinc/91/34/32/529913432.db2.gz OBNVJJHDLKTWCS-NEPJUHHUSA-N 1 1 325.365 0.648 20 5 ECBDMO CNC(=O)CC[N@@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355739544 299296359 /nfs/dbraw/zinc/29/63/59/299296359.db2.gz SJKKDBPKLZIDSI-UHFFFAOYSA-N 1 1 339.348 0.715 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189335234 437592619 /nfs/dbraw/zinc/59/26/19/437592619.db2.gz SPZBTXXDVXDUDO-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000266270555 248214408 /nfs/dbraw/zinc/21/44/08/248214408.db2.gz RBABQRKIVQYUFO-UHFFFAOYSA-N 1 1 331.336 0.149 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450622535 211336778 /nfs/dbraw/zinc/33/67/78/211336778.db2.gz KDLHKIIUMKZGRR-INIZCTEOSA-N 1 1 345.359 0.577 20 5 ECBDMO C[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000429351661 210314810 /nfs/dbraw/zinc/31/48/10/210314810.db2.gz FWKZQKCPFNBWJV-CZUORRHYSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@H]1CN(C2CCC2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351661 210314816 /nfs/dbraw/zinc/31/48/16/210314816.db2.gz FWKZQKCPFNBWJV-CZUORRHYSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@H]1CN(C2CCC2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351661 210314817 /nfs/dbraw/zinc/31/48/17/210314817.db2.gz FWKZQKCPFNBWJV-CZUORRHYSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000186854521 533670840 /nfs/dbraw/zinc/67/08/40/533670840.db2.gz UPLZIDNJMXJFTF-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245409414 165104207 /nfs/dbraw/zinc/10/42/07/165104207.db2.gz MCSQZSXVCFMDKG-JSGCOSHPSA-N 1 1 337.376 0.922 20 5 ECBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000247977403 165168141 /nfs/dbraw/zinc/16/81/41/165168141.db2.gz HXYHKEUADOBBCY-GXTWGEPZSA-N 1 1 334.376 0.699 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251563464 165204955 /nfs/dbraw/zinc/20/49/55/165204955.db2.gz GTEIUNLILPVJGB-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000251563464 165204957 /nfs/dbraw/zinc/20/49/57/165204957.db2.gz GTEIUNLILPVJGB-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000262064326 165283952 /nfs/dbraw/zinc/28/39/52/165283952.db2.gz WCWKQRXZMWASIL-GFCCVEGCSA-N 1 1 346.347 0.368 20 5 ECBDMO CN(C)c1nc(N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc[nH+]1 ZINC000301333081 296885338 /nfs/dbraw/zinc/88/53/38/296885338.db2.gz BYVYPNOXMFWJGJ-UHFFFAOYSA-N 1 1 345.367 0.150 20 5 ECBDMO Cc1c([C@H]2[C@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC(=O)N2C)cnn1C ZINC000331677361 296955821 /nfs/dbraw/zinc/95/58/21/296955821.db2.gz VLHOXMKBEHVQDZ-RISCZKNCSA-N 1 1 347.379 0.432 20 5 ECBDMO Cc1ccc2[nH+]c(Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cn2c1 ZINC000031813206 263140963 /nfs/dbraw/zinc/14/09/63/263140963.db2.gz KHUOUIOFMXLYLC-UHFFFAOYSA-N 1 1 327.300 0.860 20 5 ECBDMO Cc1ccc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174475479 263150320 /nfs/dbraw/zinc/15/03/20/263150320.db2.gz QORDPYUPIRXRLE-INIZCTEOSA-N 1 1 337.376 0.716 20 5 ECBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000295351695 265061240 /nfs/dbraw/zinc/06/12/40/265061240.db2.gz OEIBFEWICFDHSV-UHFFFAOYSA-N 1 1 343.405 0.638 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296785078 265116346 /nfs/dbraw/zinc/11/63/46/265116346.db2.gz QLBQFBOVHTUGOH-LBPRGKRZSA-N 1 1 343.384 0.609 20 5 ECBDMO CO[C@H](C)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420973077 274074233 /nfs/dbraw/zinc/07/42/33/274074233.db2.gz LSTBEIOKFCNLMX-LLVKDONJSA-N 1 1 331.394 0.840 20 5 ECBDMO NC(=O)N1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343510472 437595609 /nfs/dbraw/zinc/59/56/09/437595609.db2.gz LVEMYHLXDFZKKS-GFCCVEGCSA-N 1 1 338.364 0.421 20 5 ECBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000264383390 277047333 /nfs/dbraw/zinc/04/73/33/277047333.db2.gz FSXNOEVXUOVSDH-LBPRGKRZSA-N 1 1 335.412 0.573 20 5 ECBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000471750246 277328332 /nfs/dbraw/zinc/32/83/32/277328332.db2.gz NHRLAIYOJRNUAT-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337700696 297206158 /nfs/dbraw/zinc/20/61/58/297206158.db2.gz TZDLGJISYDRGGN-GFCCVEGCSA-N 1 1 337.380 0.513 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580986 300107634 /nfs/dbraw/zinc/10/76/34/300107634.db2.gz DWUJKFQGCWLAER-WFASDCNBSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580986 300107638 /nfs/dbraw/zinc/10/76/38/300107638.db2.gz DWUJKFQGCWLAER-WFASDCNBSA-N 1 1 349.387 0.956 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180304 300167870 /nfs/dbraw/zinc/16/78/70/300167870.db2.gz IFCJDJVTBZJBMG-KCQAQPDRSA-N 1 1 325.413 0.957 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000362180304 300167872 /nfs/dbraw/zinc/16/78/72/300167872.db2.gz IFCJDJVTBZJBMG-KCQAQPDRSA-N 1 1 325.413 0.957 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000363988611 300314207 /nfs/dbraw/zinc/31/42/07/300314207.db2.gz XQNYZEFUBDZOKG-UHFFFAOYSA-N 1 1 334.380 0.921 20 5 ECBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000072561669 436048888 /nfs/dbraw/zinc/04/88/88/436048888.db2.gz AALKURWAIQRETG-YPMHNXCESA-N 1 1 346.409 0.051 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])c2)C1 ZINC000026981659 436170837 /nfs/dbraw/zinc/17/08/37/436170837.db2.gz PSJIENPFZPAANR-GFCCVEGCSA-N 1 1 325.369 0.264 20 5 ECBDMO Nc1nc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000076267977 436197913 /nfs/dbraw/zinc/19/79/13/436197913.db2.gz QBDLCNXYBVDYCD-CYBMUJFWSA-N 1 1 344.375 0.798 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000078644507 436272836 /nfs/dbraw/zinc/27/28/36/436272836.db2.gz GICOCWLDDNXPFR-HNNXBMFYSA-N 1 1 346.387 0.973 20 5 ECBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000090003679 436425226 /nfs/dbraw/zinc/42/52/26/436425226.db2.gz RWHZIGKHXSBAMQ-HIFRSBDPSA-N 1 1 348.407 0.840 20 5 ECBDMO [NH3+]Cc1nnnn1CC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000521998013 301797925 /nfs/dbraw/zinc/79/79/25/301797925.db2.gz CXTHKVBLAMTZQB-UHFFFAOYSA-N 1 1 345.241 0.698 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000538242564 302158954 /nfs/dbraw/zinc/15/89/54/302158954.db2.gz KRXDGXRTTFHAFU-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)[C@@H](C)C1 ZINC000538242564 302158956 /nfs/dbraw/zinc/15/89/56/302158956.db2.gz KRXDGXRTTFHAFU-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548741142 302324145 /nfs/dbraw/zinc/32/41/45/302324145.db2.gz CZCVVTPYMLQZTI-UWVGGRQHSA-N 1 1 325.369 0.936 20 5 ECBDMO C[N@@H+](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000067147669 436706220 /nfs/dbraw/zinc/70/62/20/436706220.db2.gz SJVJCGKHEKVQGM-UHFFFAOYSA-N 1 1 330.348 1.000 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC000139045183 436662240 /nfs/dbraw/zinc/66/22/40/436662240.db2.gz MXVIIPVUWBRXCC-CYBMUJFWSA-N 1 1 347.375 0.683 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](N3CCNC3=O)C2)c([N+](=O)[O-])c1 ZINC000139045183 436662244 /nfs/dbraw/zinc/66/22/44/436662244.db2.gz MXVIIPVUWBRXCC-CYBMUJFWSA-N 1 1 347.375 0.683 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000139186158 436665081 /nfs/dbraw/zinc/66/50/81/436665081.db2.gz IWRYNAIPAONENM-BXUZGUMPSA-N 1 1 334.376 0.924 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000247324955 436793804 /nfs/dbraw/zinc/79/38/04/436793804.db2.gz WLKXVEGLVRZANR-UPJWGTAASA-N 1 1 328.394 0.359 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000131140390 436848262 /nfs/dbraw/zinc/84/82/62/436848262.db2.gz IEHSHEZTTRQRBL-CQSZACIVSA-N 1 1 336.396 0.205 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274460073 436828902 /nfs/dbraw/zinc/82/89/02/436828902.db2.gz HHDWZKFNEOISNO-QWRGUYRKSA-N 1 1 339.348 0.360 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000274968624 436901837 /nfs/dbraw/zinc/90/18/37/436901837.db2.gz HVHYLQQCGARIFG-ZDUSSCGKSA-N 1 1 346.387 0.940 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000275627487 436992328 /nfs/dbraw/zinc/99/23/28/436992328.db2.gz UWIRTCQLZHHMSC-CYBMUJFWSA-N 1 1 340.376 0.808 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCN(c2ccc(N)[nH+]c2)CC1 ZINC000264622182 437054740 /nfs/dbraw/zinc/05/47/40/437054740.db2.gz INLXBTHAFCYZES-UHFFFAOYSA-N 1 1 343.347 0.393 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])n1 ZINC000331715481 437150668 /nfs/dbraw/zinc/15/06/68/437150668.db2.gz HREHTOSAGKAFQY-WDEREUQCSA-N 1 1 343.409 0.716 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000265417275 437127053 /nfs/dbraw/zinc/12/70/53/437127053.db2.gz VHUGRUZTTGXFAB-LLVKDONJSA-N 1 1 336.348 0.752 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC[NH+](CCCO)CC3)c([N+](=O)[O-])cc12 ZINC000301838075 437133122 /nfs/dbraw/zinc/13/31/22/437133122.db2.gz WMBVOCIPEPBPFT-UHFFFAOYSA-N 1 1 333.348 0.748 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000278880525 437353208 /nfs/dbraw/zinc/35/32/08/437353208.db2.gz PDOYFZAGCHDQMQ-LBPRGKRZSA-N 1 1 337.380 0.503 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000279058790 437370208 /nfs/dbraw/zinc/37/02/08/437370208.db2.gz LKNJPUUXWKAQQH-HNNXBMFYSA-N 1 1 334.332 0.648 20 5 ECBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181755304 437330212 /nfs/dbraw/zinc/33/02/12/437330212.db2.gz BYCGSGGSJHLJCP-UPJWGTAASA-N 1 1 337.376 0.920 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135441 437376430 /nfs/dbraw/zinc/37/64/30/437376430.db2.gz WSLYRNNICQDPLU-WFASDCNBSA-N 1 1 334.332 0.302 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000279361498 437399663 /nfs/dbraw/zinc/39/96/63/437399663.db2.gz VHOVIIYZAUWONW-PHIMTYICSA-N 1 1 348.359 0.562 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186711080 437483140 /nfs/dbraw/zinc/48/31/40/437483140.db2.gz NVVRTWKNIXLORF-AWEZNQCLSA-N 1 1 346.387 0.940 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)C[C@H](C)O ZINC000289846928 437445188 /nfs/dbraw/zinc/44/51/88/437445188.db2.gz PKTUIVFZYXLPEK-NSHDSACASA-N 1 1 341.364 0.607 20 5 ECBDMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189283405 437589857 /nfs/dbraw/zinc/58/98/57/437589857.db2.gz QVXWQFMWCOPDHQ-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000343721014 437636595 /nfs/dbraw/zinc/63/65/95/437636595.db2.gz BZUODEFQXLNIKO-NEPJUHHUSA-N 1 1 328.390 0.744 20 5 ECBDMO O=C1CC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751182 437647854 /nfs/dbraw/zinc/64/78/54/437647854.db2.gz OWVMAMSAJGDACM-OLZOCXBDSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751182 437647858 /nfs/dbraw/zinc/64/78/58/437647858.db2.gz OWVMAMSAJGDACM-OLZOCXBDSA-N 1 1 335.360 0.641 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CCOC)n1 ZINC000191803393 437654183 /nfs/dbraw/zinc/65/41/83/437654183.db2.gz GBKGUVDBXGWNRV-LLVKDONJSA-N 1 1 325.369 0.652 20 5 ECBDMO Nc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000361699603 437681034 /nfs/dbraw/zinc/68/10/34/437681034.db2.gz HDTBTRVTLXLOOS-UKRRQHHQSA-N 1 1 334.376 0.848 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000363391346 437787865 /nfs/dbraw/zinc/78/78/65/437787865.db2.gz QUMORIXPWBXTCO-LBPRGKRZSA-N 1 1 334.376 0.890 20 5 ECBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347375655 437879305 /nfs/dbraw/zinc/87/93/05/437879305.db2.gz JQBFCVJVRBCREH-AWEZNQCLSA-N 1 1 348.403 0.947 20 5 ECBDMO CCOCCO[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000341683354 437884746 /nfs/dbraw/zinc/88/47/46/437884746.db2.gz DZXDQOJYPJLDPW-CQSZACIVSA-N 1 1 325.365 0.884 20 5 ECBDMO CCC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000347443673 437889798 /nfs/dbraw/zinc/88/97/98/437889798.db2.gz FNGPGEJOAYWZHK-GFCCVEGCSA-N 1 1 340.384 0.146 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000416287472 437903424 /nfs/dbraw/zinc/90/34/24/437903424.db2.gz BZUGMEPMMPRPSB-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000416287472 437903430 /nfs/dbraw/zinc/90/34/30/437903430.db2.gz BZUGMEPMMPRPSB-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371261191 437906497 /nfs/dbraw/zinc/90/64/97/437906497.db2.gz VVDWROIPRHKOTD-WDEREUQCSA-N 1 1 337.380 0.863 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000371261191 437906500 /nfs/dbraw/zinc/90/65/00/437906500.db2.gz VVDWROIPRHKOTD-WDEREUQCSA-N 1 1 337.380 0.863 20 5 ECBDMO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416492862 437943955 /nfs/dbraw/zinc/94/39/55/437943955.db2.gz BMRGQAPLHBWAIG-JTQLQIEISA-N 1 1 329.378 0.833 20 5 ECBDMO COc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000416492863 437944919 /nfs/dbraw/zinc/94/49/19/437944919.db2.gz BMRGQAPLHBWAIG-SNVBAGLBSA-N 1 1 329.378 0.833 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342362285 438012588 /nfs/dbraw/zinc/01/25/88/438012588.db2.gz ZTXHYEYFLVGGOG-GFCCVEGCSA-N 1 1 335.364 0.927 20 5 ECBDMO NS(=O)(=O)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372403693 438087097 /nfs/dbraw/zinc/08/70/97/438087097.db2.gz GNLALEUNYXYQCG-ZZXKWVIFSA-N 1 1 340.405 0.819 20 5 ECBDMO NS(=O)(=O)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372403693 438087099 /nfs/dbraw/zinc/08/70/99/438087099.db2.gz GNLALEUNYXYQCG-ZZXKWVIFSA-N 1 1 340.405 0.819 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336695 438056796 /nfs/dbraw/zinc/05/67/96/438056796.db2.gz YRYTZIAOYSJRND-OLZOCXBDSA-N 1 1 346.343 0.518 20 5 ECBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531286 438070065 /nfs/dbraw/zinc/07/00/65/438070065.db2.gz MEMMHOHRPMMBFN-DYEKYZERSA-N 1 1 337.376 0.920 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358198401 438178967 /nfs/dbraw/zinc/17/89/67/438178967.db2.gz MLZFNEXRSBBZNP-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000432389405 438193377 /nfs/dbraw/zinc/19/33/77/438193377.db2.gz VJSOQFFZSMOKRB-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000432389405 438193384 /nfs/dbraw/zinc/19/33/84/438193384.db2.gz VJSOQFFZSMOKRB-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO CNC(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419006364 438281648 /nfs/dbraw/zinc/28/16/48/438281648.db2.gz QEPLGNFXZLCRFJ-NWDGAFQWSA-N 1 1 336.392 0.846 20 5 ECBDMO C[N@@H+](C[C@@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713986 438324251 /nfs/dbraw/zinc/32/42/51/438324251.db2.gz XYYCLJIOAJROIV-IUODEOHRSA-N 1 1 335.408 0.931 20 5 ECBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351642911 438309494 /nfs/dbraw/zinc/30/94/94/438309494.db2.gz HDTLKGSIIMKZRT-PSLIRLAXSA-N 1 1 347.331 0.628 20 5 ECBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351642911 438309497 /nfs/dbraw/zinc/30/94/97/438309497.db2.gz HDTLKGSIIMKZRT-PSLIRLAXSA-N 1 1 347.331 0.628 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000378183841 438358829 /nfs/dbraw/zinc/35/88/29/438358829.db2.gz PMVLVSLUGYMIIG-HNNXBMFYSA-N 1 1 344.375 0.967 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000378183841 438358833 /nfs/dbraw/zinc/35/88/33/438358833.db2.gz PMVLVSLUGYMIIG-HNNXBMFYSA-N 1 1 344.375 0.967 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])n1 ZINC000420767762 438437920 /nfs/dbraw/zinc/43/79/20/438437920.db2.gz NQCGZUTVCHVDBT-SNVBAGLBSA-N 1 1 331.398 0.526 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359581280 438462349 /nfs/dbraw/zinc/46/23/49/438462349.db2.gz WRMXASHOBNUNSR-DOMZBBRYSA-N 1 1 326.349 0.418 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])n1 ZINC000407989536 438479125 /nfs/dbraw/zinc/47/91/25/438479125.db2.gz HSTVJNLFLXCUDQ-SNVBAGLBSA-N 1 1 329.382 0.280 20 5 ECBDMO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000420953689 438450090 /nfs/dbraw/zinc/45/00/90/438450090.db2.gz ZQGRFIQFOXMZDO-UKRRQHHQSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](CO)O1 ZINC000420953689 438450093 /nfs/dbraw/zinc/45/00/93/438450093.db2.gz ZQGRFIQFOXMZDO-UKRRQHHQSA-N 1 1 340.376 0.806 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H](O)C1 ZINC000420970303 438454661 /nfs/dbraw/zinc/45/46/61/438454661.db2.gz FDRVPCFTJDCLCQ-BJHJDKERSA-N 1 1 343.405 0.576 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089967 438516552 /nfs/dbraw/zinc/51/65/52/438516552.db2.gz VCHKRZDMVCNGHB-ZWNOBZJWSA-N 1 1 346.343 0.295 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000422089967 438516557 /nfs/dbraw/zinc/51/65/57/438516557.db2.gz VCHKRZDMVCNGHB-ZWNOBZJWSA-N 1 1 346.343 0.295 20 5 ECBDMO Nc1c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000370161415 438555213 /nfs/dbraw/zinc/55/52/13/438555213.db2.gz KIMQILHRHZKQHB-OCCSQVGLSA-N 1 1 334.376 0.848 20 5 ECBDMO C[N@H+]1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1(C)C ZINC000440648739 438559074 /nfs/dbraw/zinc/55/90/74/438559074.db2.gz KLNZCJAGBWXJGV-UHFFFAOYSA-N 1 1 333.396 1.075 20 5 ECBDMO CNc1nc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455734226 438752478 /nfs/dbraw/zinc/75/24/78/438752478.db2.gz NHLMSNMAWGSMOR-LLVKDONJSA-N 1 1 337.380 0.730 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC[N@@H+](CCO)CC1 ZINC000601113125 438817393 /nfs/dbraw/zinc/81/73/93/438817393.db2.gz CWHXPJSTUALIRI-UHFFFAOYSA-N 1 1 337.302 0.852 20 5 ECBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000577290716 438831726 /nfs/dbraw/zinc/83/17/26/438831726.db2.gz VQMJWPDAHNCACR-CYBMUJFWSA-N 1 1 333.392 0.980 20 5 ECBDMO CO[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661090 438840417 /nfs/dbraw/zinc/84/04/17/438840417.db2.gz IAZZIFWLFZUTTA-GOEBONIOSA-N 1 1 340.376 0.808 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000589930053 438892485 /nfs/dbraw/zinc/89/24/85/438892485.db2.gz RQPWOQMYPXOFKS-NXEZZACHSA-N 1 1 329.382 0.136 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000589930053 438892487 /nfs/dbraw/zinc/89/24/87/438892487.db2.gz RQPWOQMYPXOFKS-NXEZZACHSA-N 1 1 329.382 0.136 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590398922 438917559 /nfs/dbraw/zinc/91/75/59/438917559.db2.gz BOUSHRQLVAJJHW-UHFFFAOYSA-N 1 1 348.403 0.679 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000590564016 438932340 /nfs/dbraw/zinc/93/23/40/438932340.db2.gz BSXKNDJKDYPTGY-STQMWFEESA-N 1 1 337.380 0.421 20 5 ECBDMO NC(=O)c1cc(N2CCC[C@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596200512 438940366 /nfs/dbraw/zinc/94/03/66/438940366.db2.gz ORVVMRQBBFIEIO-ZDUSSCGKSA-N 1 1 334.376 0.995 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000591328945 439003667 /nfs/dbraw/zinc/00/36/67/439003667.db2.gz JNFPZRJAMCYATO-SNVBAGLBSA-N 1 1 329.378 0.833 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000518758266 439009741 /nfs/dbraw/zinc/00/97/41/439009741.db2.gz WYAKSBSDSKGNLD-MRVPVSSYSA-N 1 1 345.157 0.428 20 5 ECBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@](C)(CO)C1 ZINC000602965025 439170550 /nfs/dbraw/zinc/17/05/50/439170550.db2.gz XYEBVYHFDRONFH-WMLDXEAASA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@](C)(CO)C1 ZINC000602965025 439170554 /nfs/dbraw/zinc/17/05/54/439170554.db2.gz XYEBVYHFDRONFH-WMLDXEAASA-N 1 1 349.387 0.956 20 5 ECBDMO CNc1nccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694547 439162492 /nfs/dbraw/zinc/16/24/92/439162492.db2.gz LDZFQYNIKIOZBX-CHWSQXEVSA-N 1 1 349.391 0.967 20 5 ECBDMO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807089 439202407 /nfs/dbraw/zinc/20/24/07/439202407.db2.gz OFJQPRZBTHXYTF-VHSXEESVSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807089 439202410 /nfs/dbraw/zinc/20/24/10/439202410.db2.gz OFJQPRZBTHXYTF-VHSXEESVSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598000472 439210935 /nfs/dbraw/zinc/21/09/35/439210935.db2.gz VCRBUQMABCKNQG-NEPJUHHUSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000598000472 439210940 /nfs/dbraw/zinc/21/09/40/439210940.db2.gz VCRBUQMABCKNQG-NEPJUHHUSA-N 1 1 325.369 0.407 20 5 ECBDMO O=C(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCNCC1 ZINC000568748571 439275777 /nfs/dbraw/zinc/27/57/77/439275777.db2.gz FXFCYEJRZCUNSU-OAHLLOKOSA-N 1 1 332.404 0.937 20 5 ECBDMO O=[N+]([O-])c1c(N[C@H]2CCn3cc[nH+]c3C2)ncnc1N1CCOCC1 ZINC000598613631 439287638 /nfs/dbraw/zinc/28/76/38/439287638.db2.gz ATLODLFBNMLSBD-NSHDSACASA-N 1 1 345.363 0.845 20 5 ECBDMO CCOC(=O)C[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325821 439435222 /nfs/dbraw/zinc/43/52/22/439435222.db2.gz MJOTYEFKKCROBL-DGCLKSJQSA-N 1 1 338.364 0.790 20 5 ECBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562558 439408014 /nfs/dbraw/zinc/40/80/14/439408014.db2.gz GGYVFUOXXKCEKJ-SKDRFNHKSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562558 439408019 /nfs/dbraw/zinc/40/80/19/439408019.db2.gz GGYVFUOXXKCEKJ-SKDRFNHKSA-N 1 1 326.378 0.751 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C(C)(C)C1 ZINC000593876484 439484066 /nfs/dbraw/zinc/48/40/66/439484066.db2.gz QQPGRMIZBJTDMG-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)C(C)(C)C1 ZINC000593876484 439484068 /nfs/dbraw/zinc/48/40/68/439484068.db2.gz QQPGRMIZBJTDMG-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594369531 439548640 /nfs/dbraw/zinc/54/86/40/439548640.db2.gz LSVCOQWKTHUQOZ-CYBMUJFWSA-N 1 1 333.392 0.980 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269538 439561580 /nfs/dbraw/zinc/56/15/80/439561580.db2.gz SWIZVJAYIVBAJU-ZDUSSCGKSA-N 1 1 339.396 0.717 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609668382 439584067 /nfs/dbraw/zinc/58/40/67/439584067.db2.gz NSLPRVMTRMVAAF-GFCCVEGCSA-N 1 1 337.380 0.059 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000594748976 439600783 /nfs/dbraw/zinc/60/07/83/439600783.db2.gz QTUDIDAPWBXTSR-GHMZBOCLSA-N 1 1 326.378 0.895 20 5 ECBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594759752 439604018 /nfs/dbraw/zinc/60/40/18/439604018.db2.gz VUNVUGFYBAGLPM-NSHDSACASA-N 1 1 328.394 0.952 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000610912395 439657818 /nfs/dbraw/zinc/65/78/18/439657818.db2.gz FDRIZUGAULYIQO-OTYXRUKQSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000610912395 439657820 /nfs/dbraw/zinc/65/78/20/439657820.db2.gz FDRIZUGAULYIQO-OTYXRUKQSA-N 1 1 337.332 0.772 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600531427 439674645 /nfs/dbraw/zinc/67/46/45/439674645.db2.gz DZUACLWNMMYPQU-CYBMUJFWSA-N 1 1 345.359 0.577 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000595505064 439735837 /nfs/dbraw/zinc/73/58/37/439735837.db2.gz LOULKCWDECADDF-LBPRGKRZSA-N 1 1 332.360 0.489 20 5 ECBDMO C[C@@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617834764 439982456 /nfs/dbraw/zinc/98/24/56/439982456.db2.gz DMNKDJGHIQVOIX-CYBMUJFWSA-N 1 1 348.403 0.931 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365822 321087044 /nfs/dbraw/zinc/08/70/44/321087044.db2.gz VTSYZLFPRXXSTI-DGCLKSJQSA-N 1 1 338.364 0.338 20 5 ECBDMO CN1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000562990055 322291244 /nfs/dbraw/zinc/29/12/44/322291244.db2.gz WJACEBIJJUQENE-ZDUSSCGKSA-N 1 1 341.389 0.579 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cc4c3OCCO4)C[C@H]2C1 ZINC000564738288 322391092 /nfs/dbraw/zinc/39/10/92/322391092.db2.gz KWWHMKOTQCAEDP-PHIMTYICSA-N 1 1 333.344 1.000 20 5 ECBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189841364 533913559 /nfs/dbraw/zinc/91/35/59/533913559.db2.gz DJNLUQGFMQEEHZ-GFCCVEGCSA-N 1 1 335.408 0.933 20 5 ECBDMO CC1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000420935769 546214860 /nfs/dbraw/zinc/21/48/60/546214860.db2.gz KFRPQOIJYKVKLU-CHWSQXEVSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000420935769 546214866 /nfs/dbraw/zinc/21/48/66/546214866.db2.gz KFRPQOIJYKVKLU-CHWSQXEVSA-N 1 1 340.376 0.806 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096528 579347468 /nfs/dbraw/zinc/34/74/68/579347468.db2.gz QBWQIYOYDQANNZ-STQMWFEESA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096528 579347469 /nfs/dbraw/zinc/34/74/69/579347469.db2.gz QBWQIYOYDQANNZ-STQMWFEESA-N 1 1 329.378 0.381 20 5 ECBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)NC ZINC000735870359 578398370 /nfs/dbraw/zinc/39/83/70/578398370.db2.gz UGXUTSPOAOQKPB-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791356829 578889324 /nfs/dbraw/zinc/88/93/24/578889324.db2.gz MEKMFAYZADYRLA-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO CC(C)N1CC[NH+](CCCOC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000791753910 578892350 /nfs/dbraw/zinc/89/23/50/578892350.db2.gz JVQJPGFICCNRBZ-UHFFFAOYSA-N 1 1 340.384 0.146 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000768833990 579133010 /nfs/dbraw/zinc/13/30/10/579133010.db2.gz JFNRIKKVYVOUGQ-VHSXEESVSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000768833990 579133012 /nfs/dbraw/zinc/13/30/12/579133012.db2.gz JFNRIKKVYVOUGQ-VHSXEESVSA-N 1 1 347.418 0.798 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859009 579321838 /nfs/dbraw/zinc/32/18/38/579321838.db2.gz OMBWLXOSILUJOZ-DGCLKSJQSA-N 1 1 339.396 0.920 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859009 579321839 /nfs/dbraw/zinc/32/18/39/579321839.db2.gz OMBWLXOSILUJOZ-DGCLKSJQSA-N 1 1 339.396 0.920 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1nc2ccccn2c1[N+](=O)[O-] ZINC000743046742 579794097 /nfs/dbraw/zinc/79/40/97/579794097.db2.gz PMNMJZMXYOTTPZ-UHFFFAOYSA-N 1 1 332.364 0.453 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000841456609 588988743 /nfs/dbraw/zinc/98/87/43/588988743.db2.gz JDBWZQCNGFENCA-JMSVASOKSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000841456609 588988744 /nfs/dbraw/zinc/98/87/44/588988744.db2.gz JDBWZQCNGFENCA-JMSVASOKSA-N 1 1 337.376 0.542 20 5 ECBDMO COc1c(C(=O)N2CCN(C)CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888985153 586251358 /nfs/dbraw/zinc/25/13/58/586251358.db2.gz MXWTYJJOKKWNRA-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1c(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000888985153 586251360 /nfs/dbraw/zinc/25/13/60/586251360.db2.gz MXWTYJJOKKWNRA-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896555446 586254168 /nfs/dbraw/zinc/25/41/68/586254168.db2.gz JLBXZMCESZDHAK-CJNGLKHVSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000896555446 586254170 /nfs/dbraw/zinc/25/41/70/586254170.db2.gz JLBXZMCESZDHAK-CJNGLKHVSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000896555446 586254172 /nfs/dbraw/zinc/25/41/72/586254172.db2.gz JLBXZMCESZDHAK-CJNGLKHVSA-N 1 1 349.435 0.782 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896581979 586260847 /nfs/dbraw/zinc/26/08/47/586260847.db2.gz OZBNQXNJIVACFS-FZMZJTMJSA-N 1 1 336.392 0.968 20 5 ECBDMO CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888993765 586351270 /nfs/dbraw/zinc/35/12/70/586351270.db2.gz FZRKLWMSXICPGO-UHFFFAOYSA-N 1 1 335.408 0.713 20 5 ECBDMO COCC[NH2+]Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1 ZINC000843236747 589054628 /nfs/dbraw/zinc/05/46/28/589054628.db2.gz HASPJTDZTVPGFD-UHFFFAOYSA-N 1 1 345.319 0.962 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000900221412 586532966 /nfs/dbraw/zinc/53/29/66/586532966.db2.gz PIPZIANFHOXJKK-WBVHZDCISA-N 1 1 348.403 0.699 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720174 586889861 /nfs/dbraw/zinc/88/98/61/586889861.db2.gz ICSBCPIHVQUEJK-KLHDSHLOSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720174 586889864 /nfs/dbraw/zinc/88/98/64/586889864.db2.gz ICSBCPIHVQUEJK-KLHDSHLOSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720174 586889866 /nfs/dbraw/zinc/88/98/66/586889866.db2.gz ICSBCPIHVQUEJK-KLHDSHLOSA-N 1 1 333.388 0.651 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000808021680 587142280 /nfs/dbraw/zinc/14/22/80/587142280.db2.gz AVRMSUMQDYWDDC-SNVBAGLBSA-N 1 1 337.355 0.436 20 5 ECBDMO C[C@@H]1COCCN1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820813431 587557852 /nfs/dbraw/zinc/55/78/52/587557852.db2.gz GURQFDBOQGFBNG-SECBINFHSA-N 1 1 334.340 0.303 20 5 ECBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC000821629070 587609493 /nfs/dbraw/zinc/60/94/93/587609493.db2.gz XVDWLLWSUVPUHB-STQMWFEESA-N 1 1 331.336 0.294 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821691053 587623531 /nfs/dbraw/zinc/62/35/31/587623531.db2.gz GXMCVSLHLDVKEA-SNVBAGLBSA-N 1 1 348.367 0.693 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823592346 587732720 /nfs/dbraw/zinc/73/27/20/587732720.db2.gz RAMNOSIXAUFQKZ-CVEARBPZSA-N 1 1 334.376 0.992 20 5 ECBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000823625390 587735370 /nfs/dbraw/zinc/73/53/70/587735370.db2.gz UBNVJCIPTHMLNP-UWVGGRQHSA-N 1 1 346.351 0.445 20 5 ECBDMO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000824014725 587848689 /nfs/dbraw/zinc/84/86/89/587848689.db2.gz RDADXVHMUWALBN-PMPSAXMXSA-N 1 1 331.372 0.976 20 5 ECBDMO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000824014725 587848691 /nfs/dbraw/zinc/84/86/91/587848691.db2.gz RDADXVHMUWALBN-PMPSAXMXSA-N 1 1 331.372 0.976 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000829911340 588347983 /nfs/dbraw/zinc/34/79/83/588347983.db2.gz VXGMQTBVNHITQC-HUBLWGQQSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000829911340 588347985 /nfs/dbraw/zinc/34/79/85/588347985.db2.gz VXGMQTBVNHITQC-HUBLWGQQSA-N 1 1 337.376 0.542 20 5 ECBDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251102 608729012 /nfs/dbraw/zinc/72/90/12/608729012.db2.gz OZOACAGIDZXEJB-HIFRSBDPSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251102 608729014 /nfs/dbraw/zinc/72/90/14/608729014.db2.gz OZOACAGIDZXEJB-HIFRSBDPSA-N 1 1 325.413 0.814 20 5 ECBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000933251102 608729015 /nfs/dbraw/zinc/72/90/15/608729015.db2.gz OZOACAGIDZXEJB-HIFRSBDPSA-N 1 1 325.413 0.814 20 5 ECBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000174882043 610041841 /nfs/dbraw/zinc/04/18/41/610041841.db2.gz FZQMOXKRQDJVOH-UHFFFAOYSA-N 1 1 326.353 0.835 20 5 ECBDMO COC(=O)COc1c(C)cc(-n2cnc(C[NH3+])cc2=N)cc1[N+](=O)[O-] ZINC001167362378 734012632 /nfs/dbraw/zinc/01/26/32/734012632.db2.gz USUHDZCSKOLTBU-UHFFFAOYSA-N 1 1 347.331 0.579 20 5 ECBDMO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001025775298 739943454 /nfs/dbraw/zinc/94/34/54/739943454.db2.gz MXMMUMXZKRBABK-VVSAWPALSA-N 1 1 332.360 0.302 20 5 ECBDMO O=C(NC1CC[NH+](Cc2ccc3nonc3c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789266 747788943 /nfs/dbraw/zinc/78/89/43/747788943.db2.gz UUNUYXJUROLNLP-IUODEOHRSA-N 1 1 345.359 0.969 20 5 ECBDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 ZINC000985426256 747981694 /nfs/dbraw/zinc/98/16/94/747981694.db2.gz OJTDPYYKDVKMJK-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC000985426256 747981696 /nfs/dbraw/zinc/98/16/96/747981696.db2.gz OJTDPYYKDVKMJK-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC000985426256 747981701 /nfs/dbraw/zinc/98/17/01/747981701.db2.gz OJTDPYYKDVKMJK-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cn1nccc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964516 750114939 /nfs/dbraw/zinc/11/49/39/750114939.db2.gz MUZPTDCRPRHHOB-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO Cn1nccc1C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964516 750114943 /nfs/dbraw/zinc/11/49/43/750114943.db2.gz MUZPTDCRPRHHOB-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO Cn1nccc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964516 750114946 /nfs/dbraw/zinc/11/49/46/750114946.db2.gz MUZPTDCRPRHHOB-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)nn1C ZINC001048813116 757075864 /nfs/dbraw/zinc/07/58/64/757075864.db2.gz AHAWATFYJSJYND-AYRXBEOTSA-N 1 1 333.392 0.284 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000996428806 757655066 /nfs/dbraw/zinc/65/50/66/757655066.db2.gz HQVHOLDRZVTHJA-CHWSQXEVSA-N 1 1 348.407 0.360 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107425390 758534324 /nfs/dbraw/zinc/53/43/24/758534324.db2.gz WIWWFGWEEWBYQI-IHWYPQMZSA-N 1 1 346.351 0.256 20 5 ECBDMO Cn1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001050326141 760131812 /nfs/dbraw/zinc/13/18/12/760131812.db2.gz TWQYSKBTYPBRHK-HBJVGIJOSA-N 1 1 336.396 0.245 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N(Cc1ccccn1)C1CC[NH+](CCO)CC1 ZINC001048627268 760813567 /nfs/dbraw/zinc/81/35/67/760813567.db2.gz IOKIKLDGJRABBL-HZPDHXFCSA-N 1 1 348.403 0.532 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnn(C2CCC2)c1 ZINC001127235281 765562412 /nfs/dbraw/zinc/56/24/12/765562412.db2.gz MQWHNIUBRYTMCO-UHFFFAOYSA-N 1 1 347.379 0.769 20 5 ECBDMO O=C(NCC[NH+]1CCC(NC(=O)C2CCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001055575438 769162100 /nfs/dbraw/zinc/16/21/00/769162100.db2.gz VQMSYMMONPRUPC-ZIAGYGMSSA-N 1 1 338.408 0.149 20 5 ECBDMO COCc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001020138993 772205297 /nfs/dbraw/zinc/20/52/97/772205297.db2.gz LROCPUBTHNZKSU-CNVPUSNMSA-N 1 1 340.405 0.692 20 5 ECBDMO Cn1nccc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699195 783294797 /nfs/dbraw/zinc/29/47/97/783294797.db2.gz AEJQEOKGXBYLBP-HUUCEWRRSA-N 1 1 347.419 0.900 20 5 ECBDMO O=C(Cn1ncnn1)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001267326201 837203128 /nfs/dbraw/zinc/20/31/28/837203128.db2.gz RHVBWXZQHSSCES-UHFFFAOYSA-N 1 1 345.363 0.362 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)c([N+](=O)[O-])n1 ZINC000354618175 299077302 /nfs/dbraw/zinc/07/73/02/299077302.db2.gz VLEWTWZGISDTPY-UHFFFAOYSA-N 1 1 329.382 0.351 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc[nH]n2)cc1 ZINC000066990303 215101396 /nfs/dbraw/zinc/10/13/96/215101396.db2.gz ZVFBIQUQPZOSLG-UHFFFAOYSA-N 1 1 325.350 0.386 20 5 ECBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355068401 299194806 /nfs/dbraw/zinc/19/48/06/299194806.db2.gz MKEVHMLTYRZQMW-ZDUSSCGKSA-N 1 1 340.380 0.538 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CC1 ZINC000189740679 237210310 /nfs/dbraw/zinc/21/03/10/237210310.db2.gz QQUSYSRWLIYMMX-LBPRGKRZSA-N 1 1 336.392 0.799 20 5 ECBDMO CN(CC(=O)NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000266307234 248238404 /nfs/dbraw/zinc/23/84/04/248238404.db2.gz FGQAROHVNLDVMC-ZDUSSCGKSA-N 1 1 335.408 0.393 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000266484300 248325088 /nfs/dbraw/zinc/32/50/88/248325088.db2.gz QXOFOZZZMXLCCF-UHFFFAOYSA-N 1 1 332.320 0.391 20 5 ECBDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451263144 211372142 /nfs/dbraw/zinc/37/21/42/211372142.db2.gz HQCBBYDAXCVNSN-CHWSQXEVSA-N 1 1 328.369 0.672 20 5 ECBDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451263144 211372146 /nfs/dbraw/zinc/37/21/46/211372146.db2.gz HQCBBYDAXCVNSN-CHWSQXEVSA-N 1 1 328.369 0.672 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267781605 251342148 /nfs/dbraw/zinc/34/21/48/251342148.db2.gz IAYPFEJQLXYOFF-CYBMUJFWSA-N 1 1 347.375 0.941 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267781605 251342151 /nfs/dbraw/zinc/34/21/51/251342151.db2.gz IAYPFEJQLXYOFF-CYBMUJFWSA-N 1 1 347.375 0.941 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000413923260 208380477 /nfs/dbraw/zinc/38/04/77/208380477.db2.gz QUDNDQQICNCXAE-ZDUSSCGKSA-N 1 1 335.360 0.701 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000153440697 224104974 /nfs/dbraw/zinc/10/49/74/224104974.db2.gz JHSKWMOBQZAQPI-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000153440697 224104975 /nfs/dbraw/zinc/10/49/75/224104975.db2.gz JHSKWMOBQZAQPI-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000116889697 221005886 /nfs/dbraw/zinc/00/58/86/221005886.db2.gz LSLTVEMSYPPYQK-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000116889697 221005889 /nfs/dbraw/zinc/00/58/89/221005889.db2.gz LSLTVEMSYPPYQK-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116892018 221006868 /nfs/dbraw/zinc/00/68/68/221006868.db2.gz BEXGINLPXCGWEV-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116892018 221006871 /nfs/dbraw/zinc/00/68/71/221006871.db2.gz BEXGINLPXCGWEV-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000186832000 533671535 /nfs/dbraw/zinc/67/15/35/533671535.db2.gz RFONJVFRWILAQA-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO CCOC(=O)[C@H](C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000248964787 165192116 /nfs/dbraw/zinc/19/21/16/165192116.db2.gz GXUOOXIXBACUFV-GWCFXTLKSA-N 1 1 326.353 0.568 20 5 ECBDMO CCOC(=O)[C@H](C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000248964787 165192119 /nfs/dbraw/zinc/19/21/19/165192119.db2.gz GXUOOXIXBACUFV-GWCFXTLKSA-N 1 1 326.353 0.568 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251709145 165206446 /nfs/dbraw/zinc/20/64/46/165206446.db2.gz KFUXHHOKOCTISI-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000251709145 165206449 /nfs/dbraw/zinc/20/64/49/165206449.db2.gz KFUXHHOKOCTISI-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO COCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000195456102 263170939 /nfs/dbraw/zinc/17/09/39/263170939.db2.gz HMZKQDYZZOFHAX-UHFFFAOYSA-N 1 1 325.369 0.280 20 5 ECBDMO CCC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000270927484 263286475 /nfs/dbraw/zinc/28/64/75/263286475.db2.gz GGJTUSNIMWTSSH-ZDUSSCGKSA-N 1 1 339.396 0.751 20 5 ECBDMO CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000270939765 263286962 /nfs/dbraw/zinc/28/69/62/263286962.db2.gz JHFDYISCRRVOGG-ZDUSSCGKSA-N 1 1 339.396 0.751 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000275533526 263613149 /nfs/dbraw/zinc/61/31/49/263613149.db2.gz KQLNNWAWBPOQKE-CQSZACIVSA-N 1 1 340.376 0.808 20 5 ECBDMO Cn1c(=O)cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n(C)c1=O ZINC000285175058 264287371 /nfs/dbraw/zinc/28/73/71/264287371.db2.gz BKBPYZJYPPUNMI-UHFFFAOYSA-N 1 1 332.360 0.667 20 5 ECBDMO COCCOC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000295003189 265038768 /nfs/dbraw/zinc/03/87/68/265038768.db2.gz AEKQGKKGKBKVCN-CQSZACIVSA-N 1 1 339.392 0.741 20 5 ECBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405332 277126399 /nfs/dbraw/zinc/12/63/99/277126399.db2.gz RTNPHUBAQUWCPP-HNNXBMFYSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405332 277126400 /nfs/dbraw/zinc/12/64/00/277126400.db2.gz RTNPHUBAQUWCPP-HNNXBMFYSA-N 1 1 334.376 0.574 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000174305706 282003714 /nfs/dbraw/zinc/00/37/14/282003714.db2.gz HAFFFDFAGHVPOJ-VXGBXAGGSA-N 1 1 339.396 0.403 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000338880983 297305096 /nfs/dbraw/zinc/30/50/96/297305096.db2.gz DJOBISDEZKCLGE-UHFFFAOYSA-N 1 1 333.352 0.461 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000338954798 297311471 /nfs/dbraw/zinc/31/14/71/297311471.db2.gz LIRNUDFAAAQLMW-ZDUSSCGKSA-N 1 1 334.376 0.912 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000339396425 297345306 /nfs/dbraw/zinc/34/53/06/297345306.db2.gz WRAFSMSSKZBNSP-GJZGRUSLSA-N 1 1 336.392 0.552 20 5 ECBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056454 299006855 /nfs/dbraw/zinc/00/68/55/299006855.db2.gz KVURJOABCQCZOI-MGPQQGTHSA-N 1 1 338.364 0.222 20 5 ECBDMO O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056454 299006859 /nfs/dbraw/zinc/00/68/59/299006859.db2.gz KVURJOABCQCZOI-MGPQQGTHSA-N 1 1 338.364 0.222 20 5 ECBDMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580984 300107700 /nfs/dbraw/zinc/10/77/00/300107700.db2.gz DWUJKFQGCWLAER-IUODEOHRSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580984 300107703 /nfs/dbraw/zinc/10/77/03/300107703.db2.gz DWUJKFQGCWLAER-IUODEOHRSA-N 1 1 349.387 0.956 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000363666515 300284660 /nfs/dbraw/zinc/28/46/60/300284660.db2.gz YDLKOVFNKJZNJW-UHFFFAOYSA-N 1 1 325.369 0.362 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000364068782 300322938 /nfs/dbraw/zinc/32/29/38/300322938.db2.gz DSZLFLXQTKMJRW-NWDGAFQWSA-N 1 1 337.380 0.308 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000072631928 436049361 /nfs/dbraw/zinc/04/93/61/436049361.db2.gz FYQVIZHCEKVPJY-AWEZNQCLSA-N 1 1 347.379 0.155 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073047197 436065687 /nfs/dbraw/zinc/06/56/87/436065687.db2.gz HYSMBPFIPMLIHP-LLVKDONJSA-N 1 1 335.360 0.976 20 5 ECBDMO Cc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000074137412 436108975 /nfs/dbraw/zinc/10/89/75/436108975.db2.gz YCQJSRYEFVFUAF-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584779 301068940 /nfs/dbraw/zinc/06/89/40/301068940.db2.gz MDFRLQDETGSMQQ-JTQLQIEISA-N 1 1 340.340 0.623 20 5 ECBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000374424306 301108278 /nfs/dbraw/zinc/10/82/78/301108278.db2.gz PYCXBBYHHDLFMG-LBPRGKRZSA-N 1 1 341.437 0.894 20 5 ECBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3ncc([N+](=O)[O-])s3)CC2)C1 ZINC000374424306 301108280 /nfs/dbraw/zinc/10/82/80/301108280.db2.gz PYCXBBYHHDLFMG-LBPRGKRZSA-N 1 1 341.437 0.894 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377749364 301371760 /nfs/dbraw/zinc/37/17/60/301371760.db2.gz UBTNDHWFAPPSEX-HNNXBMFYSA-N 1 1 348.403 0.731 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000377886658 301387665 /nfs/dbraw/zinc/38/76/65/301387665.db2.gz FYQVIZHCEKVPJY-CQSZACIVSA-N 1 1 347.379 0.155 20 5 ECBDMO CC[N@@H+](CCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000029839748 436210438 /nfs/dbraw/zinc/21/04/38/436210438.db2.gz NFYGZPGQSVNNQQ-UHFFFAOYSA-N 1 1 336.392 0.558 20 5 ECBDMO CCOC(=O)c1ccnc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000077966318 436258209 /nfs/dbraw/zinc/25/82/09/436258209.db2.gz HAKOFWNXXVDRHC-LLVKDONJSA-N 1 1 337.380 0.824 20 5 ECBDMO CCOC(=O)c1ccnc(NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000077966318 436258212 /nfs/dbraw/zinc/25/82/12/436258212.db2.gz HAKOFWNXXVDRHC-LLVKDONJSA-N 1 1 337.380 0.824 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000080894663 436332140 /nfs/dbraw/zinc/33/21/40/436332140.db2.gz ZAJCPWNLFHXSMJ-MRXNPFEDSA-N 1 1 337.376 0.716 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000046449163 436395730 /nfs/dbraw/zinc/39/57/30/436395730.db2.gz RVWSRYDWROLVQU-UHFFFAOYSA-N 1 1 335.364 0.238 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(c2ncccn2)CC1 ZINC000090554310 436432587 /nfs/dbraw/zinc/43/25/87/436432587.db2.gz JACSCESDVOJSMA-UHFFFAOYSA-N 1 1 344.375 0.759 20 5 ECBDMO CCNC(=O)C[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053400352 436531085 /nfs/dbraw/zinc/53/10/85/436531085.db2.gz QABVUQINMPEQEG-CYBMUJFWSA-N 1 1 325.365 0.793 20 5 ECBDMO CCNC(=O)C[N@@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053400352 436531087 /nfs/dbraw/zinc/53/10/87/436531087.db2.gz QABVUQINMPEQEG-CYBMUJFWSA-N 1 1 325.365 0.793 20 5 ECBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000060626300 436634338 /nfs/dbraw/zinc/63/43/38/436634338.db2.gz WJJOCEWNZBWYRZ-AWEZNQCLSA-N 1 1 334.376 0.925 20 5 ECBDMO NS(=O)(=O)c1c(N[C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000548614468 302313436 /nfs/dbraw/zinc/31/34/36/302313436.db2.gz CTLQDYXCTXTDPY-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151057653 436695729 /nfs/dbraw/zinc/69/57/29/436695729.db2.gz XERXMVZOOHASRS-LBPRGKRZSA-N 1 1 340.384 0.201 20 5 ECBDMO NC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000273215408 436738638 /nfs/dbraw/zinc/73/86/38/436738638.db2.gz XQCLQXUPVBVFPD-LBPRGKRZSA-N 1 1 340.311 0.249 20 5 ECBDMO NC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000273215408 436738642 /nfs/dbraw/zinc/73/86/42/436738642.db2.gz XQCLQXUPVBVFPD-LBPRGKRZSA-N 1 1 340.311 0.249 20 5 ECBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245466370 436761755 /nfs/dbraw/zinc/76/17/55/436761755.db2.gz RDXVWZLYGAECFY-DGCLKSJQSA-N 1 1 335.364 0.333 20 5 ECBDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245466370 436761759 /nfs/dbraw/zinc/76/17/59/436761759.db2.gz RDXVWZLYGAECFY-DGCLKSJQSA-N 1 1 335.364 0.333 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272491552 436718136 /nfs/dbraw/zinc/71/81/36/436718136.db2.gz TYSMSOFEDYEQGB-WFASDCNBSA-N 1 1 346.387 0.877 20 5 ECBDMO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248893132 436812206 /nfs/dbraw/zinc/81/22/06/436812206.db2.gz GDAIPEQOXZISDJ-VXGBXAGGSA-N 1 1 325.365 0.621 20 5 ECBDMO C[C@@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000248893132 436812209 /nfs/dbraw/zinc/81/22/09/436812209.db2.gz GDAIPEQOXZISDJ-VXGBXAGGSA-N 1 1 325.365 0.621 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000274397274 436821705 /nfs/dbraw/zinc/82/17/05/436821705.db2.gz LYOMFWYXLKVKKG-UHFFFAOYSA-N 1 1 347.393 0.196 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000251438720 436830088 /nfs/dbraw/zinc/83/00/88/436830088.db2.gz CIZVHPWLDLLSIR-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO O=C([C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCSCC1 ZINC000157959326 436836620 /nfs/dbraw/zinc/83/66/20/436836620.db2.gz AFUAQEAZTDSCRC-CYBMUJFWSA-N 1 1 339.421 0.831 20 5 ECBDMO O=C([C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCSCC1 ZINC000157959326 436836625 /nfs/dbraw/zinc/83/66/25/436836625.db2.gz AFUAQEAZTDSCRC-CYBMUJFWSA-N 1 1 339.421 0.831 20 5 ECBDMO O=C(C[N@H+](CCO)C1CCOCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000275445884 436968915 /nfs/dbraw/zinc/96/89/15/436968915.db2.gz ARPJEDLNFGAEAU-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264445376 437030873 /nfs/dbraw/zinc/03/08/73/437030873.db2.gz CELCPDQKOBNBJE-CQSZACIVSA-N 1 1 334.376 0.593 20 5 ECBDMO CC[N@@H+](CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282100338 437009671 /nfs/dbraw/zinc/00/96/71/437009671.db2.gz PEURJTAEEZSGPX-AWEZNQCLSA-N 1 1 328.365 0.665 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264504960 437039255 /nfs/dbraw/zinc/03/92/55/437039255.db2.gz KSTQVUFSEQXRQU-CQSZACIVSA-N 1 1 349.391 0.463 20 5 ECBDMO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173480857 437052342 /nfs/dbraw/zinc/05/23/42/437052342.db2.gz ADBVCCIZCUZYHO-OLZOCXBDSA-N 1 1 326.353 0.568 20 5 ECBDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173480857 437052344 /nfs/dbraw/zinc/05/23/44/437052344.db2.gz ADBVCCIZCUZYHO-OLZOCXBDSA-N 1 1 326.353 0.568 20 5 ECBDMO CNC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000264604778 437053546 /nfs/dbraw/zinc/05/35/46/437053546.db2.gz OGMUBMQHYDRHQH-CYBMUJFWSA-N 1 1 349.391 0.706 20 5 ECBDMO COC(=O)[C@H](C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173622787 437057852 /nfs/dbraw/zinc/05/78/52/437057852.db2.gz QXYCOHIGUSBUHN-MFKMUULPSA-N 1 1 326.353 0.426 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299249854 437061219 /nfs/dbraw/zinc/06/12/19/437061219.db2.gz YCHWLZSMKKQXNU-LLVKDONJSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000299249854 437061221 /nfs/dbraw/zinc/06/12/21/437061221.db2.gz YCHWLZSMKKQXNU-LLVKDONJSA-N 1 1 329.378 0.976 20 5 ECBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1 ZINC000331475032 437103241 /nfs/dbraw/zinc/10/32/41/437103241.db2.gz PINSKVZNIDQHSY-FPMFFAJLSA-N 1 1 337.380 0.143 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000265520072 437145315 /nfs/dbraw/zinc/14/53/15/437145315.db2.gz IXJJKAPOTUDIKU-JTQLQIEISA-N 1 1 336.348 0.610 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000276494030 437115400 /nfs/dbraw/zinc/11/54/00/437115400.db2.gz WATPCVRXCNQHKH-HNNXBMFYSA-N 1 1 336.348 0.154 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000276510748 437119352 /nfs/dbraw/zinc/11/93/52/437119352.db2.gz ZQZWKQANOFUTJX-OAHLLOKOSA-N 1 1 336.348 0.154 20 5 ECBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286718599 437123165 /nfs/dbraw/zinc/12/31/65/437123165.db2.gz GDODQDYVVSRPEP-ZDUSSCGKSA-N 1 1 338.364 0.967 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000175961994 437125182 /nfs/dbraw/zinc/12/51/82/437125182.db2.gz WXNAQWGGECVOKK-VHSXEESVSA-N 1 1 325.369 0.407 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000277896702 437261442 /nfs/dbraw/zinc/26/14/42/437261442.db2.gz DUHSODXWKNGBOH-CYBMUJFWSA-N 1 1 334.376 0.973 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000181381084 437319615 /nfs/dbraw/zinc/31/96/15/437319615.db2.gz KWNDWAMMNXGOTP-CQSZACIVSA-N 1 1 330.348 0.697 20 5 ECBDMO Cc1nnc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520728 437429894 /nfs/dbraw/zinc/42/98/94/437429894.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520728 437429897 /nfs/dbraw/zinc/42/98/97/437429897.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520728 437429900 /nfs/dbraw/zinc/42/99/00/437429900.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520728 437429903 /nfs/dbraw/zinc/42/99/03/437429903.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520728 437429906 /nfs/dbraw/zinc/42/99/06/437429906.db2.gz WLSKCFDAOHWNAB-YPMHNXCESA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186711095 437482419 /nfs/dbraw/zinc/48/24/19/437482419.db2.gz NVVRTWKNIXLORF-CQSZACIVSA-N 1 1 346.387 0.940 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289910611 437447838 /nfs/dbraw/zinc/44/78/38/437447838.db2.gz NYMJZAKYHDAWKH-AAEUAGOBSA-N 1 1 340.771 0.949 20 5 ECBDMO COC[C@H](C(N)=O)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339367920 437461631 /nfs/dbraw/zinc/46/16/31/437461631.db2.gz XCBXJLZANGFJHC-CYBMUJFWSA-N 1 1 338.364 0.664 20 5 ECBDMO COC[C@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339367920 437461634 /nfs/dbraw/zinc/46/16/34/437461634.db2.gz XCBXJLZANGFJHC-CYBMUJFWSA-N 1 1 338.364 0.664 20 5 ECBDMO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187262934 437499175 /nfs/dbraw/zinc/49/91/75/437499175.db2.gz JZJZDMFOSNMYEA-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187262934 437499178 /nfs/dbraw/zinc/49/91/78/437499178.db2.gz JZJZDMFOSNMYEA-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000290750580 437524016 /nfs/dbraw/zinc/52/40/16/437524016.db2.gz YKKLWKXDOATZJM-UHFFFAOYSA-N 1 1 326.401 0.181 20 5 ECBDMO CN(CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)CC[NH+](C)C ZINC000290750580 437524019 /nfs/dbraw/zinc/52/40/19/437524019.db2.gz YKKLWKXDOATZJM-UHFFFAOYSA-N 1 1 326.401 0.181 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330686804 437588208 /nfs/dbraw/zinc/58/82/08/437588208.db2.gz MWYCYNPOYQTAGO-VXGBXAGGSA-N 1 1 339.396 0.440 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330686804 437588213 /nfs/dbraw/zinc/58/82/13/437588213.db2.gz MWYCYNPOYQTAGO-VXGBXAGGSA-N 1 1 339.396 0.440 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361558228 437672061 /nfs/dbraw/zinc/67/20/61/437672061.db2.gz VNOHXFMSENEADZ-CJNGLKHVSA-N 1 1 332.360 0.897 20 5 ECBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000361813282 437690502 /nfs/dbraw/zinc/69/05/02/437690502.db2.gz JICVJAUMOYQLIX-LBPRGKRZSA-N 1 1 335.412 0.431 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000355374974 437701498 /nfs/dbraw/zinc/70/14/98/437701498.db2.gz XDUVSDNHKUODJB-STQMWFEESA-N 1 1 335.364 0.507 20 5 ECBDMO CN(C)c1ncc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000356431753 437765298 /nfs/dbraw/zinc/76/52/98/437765298.db2.gz IEYHUQFBPOLUST-UHFFFAOYSA-N 1 1 332.364 0.745 20 5 ECBDMO CN(C)c1ncc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000356431753 437765301 /nfs/dbraw/zinc/76/53/01/437765301.db2.gz IEYHUQFBPOLUST-UHFFFAOYSA-N 1 1 332.364 0.745 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000331260828 437729256 /nfs/dbraw/zinc/72/92/56/437729256.db2.gz BKXCOGITODCVJP-QWRGUYRKSA-N 1 1 338.286 0.541 20 5 ECBDMO CNc1nc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416317260 437917571 /nfs/dbraw/zinc/91/75/71/437917571.db2.gz WSFZVAPEASBPLU-WDEREUQCSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416317260 437917576 /nfs/dbraw/zinc/91/75/76/437917576.db2.gz WSFZVAPEASBPLU-WDEREUQCSA-N 1 1 337.380 0.559 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000357127249 437919577 /nfs/dbraw/zinc/91/95/77/437919577.db2.gz IXYCXPULHYKPOI-UHFFFAOYSA-N 1 1 341.364 0.920 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416303200 437911904 /nfs/dbraw/zinc/91/19/04/437911904.db2.gz XMKYGAYSTNITGO-QWRGUYRKSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416303200 437911908 /nfs/dbraw/zinc/91/19/08/437911908.db2.gz XMKYGAYSTNITGO-QWRGUYRKSA-N 1 1 325.369 0.013 20 5 ECBDMO CN1C[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000365817737 437975133 /nfs/dbraw/zinc/97/51/33/437975133.db2.gz CJSJOGDKLGEQKN-AWEZNQCLSA-N 1 1 347.375 0.975 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000366213175 438037072 /nfs/dbraw/zinc/03/70/72/438037072.db2.gz JWELBSZDIVARHY-GFCCVEGCSA-N 1 1 336.396 0.067 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000348759255 438093222 /nfs/dbraw/zinc/09/32/22/438093222.db2.gz AFWIOZALZVYESV-HUUCEWRRSA-N 1 1 337.376 0.351 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336694 438055782 /nfs/dbraw/zinc/05/57/82/438055782.db2.gz YRYTZIAOYSJRND-CHWSQXEVSA-N 1 1 346.343 0.518 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1C ZINC000358208390 438181664 /nfs/dbraw/zinc/18/16/64/438181664.db2.gz GEYMNXZXOOUSJZ-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358213134 438184390 /nfs/dbraw/zinc/18/43/90/438184390.db2.gz OJYCFYLNQSGHMB-LBPRGKRZSA-N 1 1 349.796 0.593 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358219038 438184961 /nfs/dbraw/zinc/18/49/61/438184961.db2.gz XBSMQGGQJDUEET-CYBMUJFWSA-N 1 1 329.378 0.081 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)CCCO1 ZINC000432878654 438215283 /nfs/dbraw/zinc/21/52/83/438215283.db2.gz JJLRJCZUCOVLBC-LBPRGKRZSA-N 1 1 334.380 1.550 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073350 438284213 /nfs/dbraw/zinc/28/42/13/438284213.db2.gz REOBKQHKSVSESI-SMDDNHRTSA-N 1 1 332.360 0.626 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073350 438284218 /nfs/dbraw/zinc/28/42/18/438284218.db2.gz REOBKQHKSVSESI-SMDDNHRTSA-N 1 1 332.360 0.626 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476533 438299459 /nfs/dbraw/zinc/29/94/59/438299459.db2.gz JOYQZGWSBLPNPH-NWDGAFQWSA-N 1 1 340.405 0.911 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476533 438299464 /nfs/dbraw/zinc/29/94/64/438299464.db2.gz JOYQZGWSBLPNPH-NWDGAFQWSA-N 1 1 340.405 0.911 20 5 ECBDMO CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378435258 438386863 /nfs/dbraw/zinc/38/68/63/438386863.db2.gz UEEFKFGKCVXUGJ-OAHLLOKOSA-N 1 1 336.440 0.892 20 5 ECBDMO CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378435258 438386865 /nfs/dbraw/zinc/38/68/65/438386865.db2.gz UEEFKFGKCVXUGJ-OAHLLOKOSA-N 1 1 336.440 0.892 20 5 ECBDMO CCCN1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000369155133 438429394 /nfs/dbraw/zinc/42/93/94/438429394.db2.gz KEGNSENDMVDCNB-UHFFFAOYSA-N 1 1 349.439 0.963 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000408470621 438578157 /nfs/dbraw/zinc/57/81/57/438578157.db2.gz RCYOBTABASPETO-CYBMUJFWSA-N 1 1 337.355 0.872 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000408372075 438563657 /nfs/dbraw/zinc/56/36/57/438563657.db2.gz GVBRPPQPFCTYEW-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000452348355 438653233 /nfs/dbraw/zinc/65/32/33/438653233.db2.gz LHBNJMWOJNIBRM-NSHDSACASA-N 1 1 339.396 0.847 20 5 ECBDMO Cc1cc(C)c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000493944565 438660027 /nfs/dbraw/zinc/66/00/27/438660027.db2.gz JREAGQOJCMUNCI-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000456222412 438765213 /nfs/dbraw/zinc/76/52/13/438765213.db2.gz HVPLJRSMLCWSSJ-BETUJISGSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456222412 438765216 /nfs/dbraw/zinc/76/52/16/438765216.db2.gz HVPLJRSMLCWSSJ-BETUJISGSA-N 1 1 337.376 0.887 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456983866 438787011 /nfs/dbraw/zinc/78/70/11/438787011.db2.gz HQUXKVDWQUXCSQ-HNNXBMFYSA-N 1 1 342.355 0.930 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000601183894 438828998 /nfs/dbraw/zinc/82/89/98/438828998.db2.gz HFNWBTZBWWNJNW-MRVPVSSYSA-N 1 1 335.286 0.602 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000601183894 438829003 /nfs/dbraw/zinc/82/90/03/438829003.db2.gz HFNWBTZBWWNJNW-MRVPVSSYSA-N 1 1 335.286 0.602 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735173 438851221 /nfs/dbraw/zinc/85/12/21/438851221.db2.gz DDQCUHJUXOPDLI-QWHCGFSZSA-N 1 1 326.349 0.682 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000577961578 438885535 /nfs/dbraw/zinc/88/55/35/438885535.db2.gz WZIONZUXKWNHSM-AWEZNQCLSA-N 1 1 336.392 0.553 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000578349499 438917237 /nfs/dbraw/zinc/91/72/37/438917237.db2.gz CKWSRBGDFPQSCM-CQSZACIVSA-N 1 1 343.343 0.325 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596110351 438927029 /nfs/dbraw/zinc/92/70/29/438927029.db2.gz LXZLGZLPXCQPBI-UHFFFAOYSA-N 1 1 327.772 0.641 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(C(N)=O)c3)CC2)C1 ZINC000596128317 438928978 /nfs/dbraw/zinc/92/89/78/438928978.db2.gz HSBKYAFBXLDUNM-AWEZNQCLSA-N 1 1 347.419 0.910 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)C(F)(F)F)cc1 ZINC000578524327 438931164 /nfs/dbraw/zinc/93/11/64/438931164.db2.gz VZYJEBOHZQOKPU-SNVBAGLBSA-N 1 1 342.295 0.881 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596167657 438935446 /nfs/dbraw/zinc/93/54/46/438935446.db2.gz GTSUWLUKJDUALW-GFCCVEGCSA-N 1 1 334.380 0.315 20 5 ECBDMO COc1ccc(C[NH2+]C[C@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000565887482 438986621 /nfs/dbraw/zinc/98/66/21/438986621.db2.gz RWUIWCVMZKLKOK-AWEZNQCLSA-N 1 1 338.408 0.301 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000566066302 439001217 /nfs/dbraw/zinc/00/12/17/439001217.db2.gz LQNVHBJUZLRRRJ-QWHCGFSZSA-N 1 1 328.394 0.360 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000566066302 439001219 /nfs/dbraw/zinc/00/12/19/439001219.db2.gz LQNVHBJUZLRRRJ-QWHCGFSZSA-N 1 1 328.394 0.360 20 5 ECBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCO[C@@H]1C ZINC000489447166 439228316 /nfs/dbraw/zinc/22/83/16/439228316.db2.gz KBSGIBGMUKZFTG-XBFCOCLRSA-N 1 1 328.369 0.278 20 5 ECBDMO C[C@@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@H+]1C ZINC000592749248 439272289 /nfs/dbraw/zinc/27/22/89/439272289.db2.gz MCKRQCDBALHKEK-TZMCWYRMSA-N 1 1 333.392 0.979 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593094135 439338795 /nfs/dbraw/zinc/33/87/95/439338795.db2.gz IPJIUPJDYVIDMD-QDQYXVEOSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@]3=O)c1 ZINC000593094135 439338799 /nfs/dbraw/zinc/33/87/99/439338799.db2.gz IPJIUPJDYVIDMD-QDQYXVEOSA-N 1 1 326.374 0.540 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1 ZINC000593024399 439330643 /nfs/dbraw/zinc/33/06/43/439330643.db2.gz IHIXZEXDEOSWBN-QWRGUYRKSA-N 1 1 326.349 0.945 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1 ZINC000593024399 439330650 /nfs/dbraw/zinc/33/06/50/439330650.db2.gz IHIXZEXDEOSWBN-QWRGUYRKSA-N 1 1 326.349 0.945 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000582063257 439286729 /nfs/dbraw/zinc/28/67/29/439286729.db2.gz VRXCMNVLPDRDKM-ZIAGYGMSSA-N 1 1 339.392 0.381 20 5 ECBDMO COC[C@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593066410 439338176 /nfs/dbraw/zinc/33/81/76/439338176.db2.gz CPLUGDNJBSBCOO-MCIONIFRSA-N 1 1 326.349 0.416 20 5 ECBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000599104428 439358863 /nfs/dbraw/zinc/35/88/63/439358863.db2.gz AQTUNHMKQMJUTG-LBPRGKRZSA-N 1 1 329.378 0.045 20 5 ECBDMO NC(=O)c1cc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000599131014 439365823 /nfs/dbraw/zinc/36/58/23/439365823.db2.gz NHAKTKPUGBPFNT-ZDUSSCGKSA-N 1 1 335.364 0.445 20 5 ECBDMO COc1ccc(NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593177956 439351078 /nfs/dbraw/zinc/35/10/78/439351078.db2.gz HYDKWHJQTPYHBA-GFCCVEGCSA-N 1 1 336.348 0.886 20 5 ECBDMO COc1ccc(NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593177956 439351083 /nfs/dbraw/zinc/35/10/83/439351083.db2.gz HYDKWHJQTPYHBA-GFCCVEGCSA-N 1 1 336.348 0.886 20 5 ECBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599245849 439396613 /nfs/dbraw/zinc/39/66/13/439396613.db2.gz YHIXJNKRAGBPRI-GHMZBOCLSA-N 1 1 345.425 0.822 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227774 439436413 /nfs/dbraw/zinc/43/64/13/439436413.db2.gz ZNNKILRZIPLLHV-FZMZJTMJSA-N 1 1 326.349 0.657 20 5 ECBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856718 439477577 /nfs/dbraw/zinc/47/75/77/439477577.db2.gz NHYYHKCJLDYSLR-OWCLPIDISA-N 1 1 331.372 0.976 20 5 ECBDMO O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856718 439477581 /nfs/dbraw/zinc/47/75/81/439477581.db2.gz NHYYHKCJLDYSLR-OWCLPIDISA-N 1 1 331.372 0.976 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([NH+]2CCOCC2)CC1 ZINC000599472759 439484241 /nfs/dbraw/zinc/48/42/41/439484241.db2.gz PDBIEDKGBLBYDC-UHFFFAOYSA-N 1 1 336.392 0.553 20 5 ECBDMO CN1CCN(C[C@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583626401 439491303 /nfs/dbraw/zinc/49/13/03/439491303.db2.gz QGPLWPWRIPLBCM-OAHLLOKOSA-N 1 1 338.408 0.172 20 5 ECBDMO CCO[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C[NH3+] ZINC000593916965 439495224 /nfs/dbraw/zinc/49/52/24/439495224.db2.gz SFMUPJVTGGTDNZ-NOZJJQNGSA-N 1 1 333.348 0.907 20 5 ECBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599646178 439527616 /nfs/dbraw/zinc/52/76/16/439527616.db2.gz FGRSZJALMRYWNO-JTQLQIEISA-N 1 1 328.394 0.913 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000609257708 439555547 /nfs/dbraw/zinc/55/55/47/439555547.db2.gz JBOLPZAYVJGVKN-GFCCVEGCSA-N 1 1 330.348 1.000 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609279109 439561538 /nfs/dbraw/zinc/56/15/38/439561538.db2.gz GBRVOUAYPAKWMQ-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609279109 439561540 /nfs/dbraw/zinc/56/15/40/439561540.db2.gz GBRVOUAYPAKWMQ-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000609306844 439562629 /nfs/dbraw/zinc/56/26/29/439562629.db2.gz FIZBYXKCIQWSJG-ZDUSSCGKSA-N 1 1 349.391 0.488 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000609665535 439583593 /nfs/dbraw/zinc/58/35/93/439583593.db2.gz UEJAJJQOJQGARX-CYBMUJFWSA-N 1 1 335.408 0.785 20 5 ECBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753175 439600232 /nfs/dbraw/zinc/60/02/32/439600232.db2.gz HKFVCLHLWGPUCV-LLVKDONJSA-N 1 1 326.378 0.847 20 5 ECBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753175 439600234 /nfs/dbraw/zinc/60/02/34/439600234.db2.gz HKFVCLHLWGPUCV-LLVKDONJSA-N 1 1 326.378 0.847 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](CCCF)CC1 ZINC000600071559 439608844 /nfs/dbraw/zinc/60/88/44/439608844.db2.gz FCZXACHRXZOVCO-UHFFFAOYSA-N 1 1 327.360 0.994 20 5 ECBDMO COc1ccc(CC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900726 439656494 /nfs/dbraw/zinc/65/64/94/439656494.db2.gz IYMTVVZNXDAJOM-XHDPSFHLSA-N 1 1 337.376 0.981 20 5 ECBDMO COc1ccc(CC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900726 439656496 /nfs/dbraw/zinc/65/64/96/439656496.db2.gz IYMTVVZNXDAJOM-XHDPSFHLSA-N 1 1 337.376 0.981 20 5 ECBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000610971910 439663716 /nfs/dbraw/zinc/66/37/16/439663716.db2.gz POKPTPVWXIXRIF-OLZOCXBDSA-N 1 1 334.376 0.842 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600470896 439667438 /nfs/dbraw/zinc/66/74/38/439667438.db2.gz JOWYAJXFDZEKOU-CYBMUJFWSA-N 1 1 334.376 0.890 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000600807298 439704599 /nfs/dbraw/zinc/70/45/99/439704599.db2.gz AMWLPZGNYHCLFU-NSHDSACASA-N 1 1 346.343 0.645 20 5 ECBDMO Cc1noc(C[NH+]2CCC([C@]3(C)NC(=O)NC3=O)CC2)c1[N+](=O)[O-] ZINC000595339471 439707487 /nfs/dbraw/zinc/70/74/87/439707487.db2.gz PKSBHRHTUUQXNG-AWEZNQCLSA-N 1 1 337.336 0.701 20 5 ECBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000344387686 321147990 /nfs/dbraw/zinc/14/79/90/321147990.db2.gz SRGTYXYXFRCFKB-JTQLQIEISA-N 1 1 346.343 0.353 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000344387686 321147991 /nfs/dbraw/zinc/14/79/91/321147991.db2.gz SRGTYXYXFRCFKB-JTQLQIEISA-N 1 1 346.343 0.353 20 5 ECBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H](C)O ZINC000352204608 321352887 /nfs/dbraw/zinc/35/28/87/321352887.db2.gz YMMMSZGEWOOLGL-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C[C@@H](C)O ZINC000352204608 321352888 /nfs/dbraw/zinc/35/28/88/321352888.db2.gz YMMMSZGEWOOLGL-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO CCC[N@@H+](CCN1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352876689 321374307 /nfs/dbraw/zinc/37/43/07/321374307.db2.gz OLQOHCBROGEVAO-HNNXBMFYSA-N 1 1 325.413 0.960 20 5 ECBDMO CCCN(CC[NH+]1CCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352876689 321374308 /nfs/dbraw/zinc/37/43/08/321374308.db2.gz OLQOHCBROGEVAO-HNNXBMFYSA-N 1 1 325.413 0.960 20 5 ECBDMO CCC[N@H+](CC(=O)NC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181567360 527890194 /nfs/dbraw/zinc/89/01/94/527890194.db2.gz NSLJUXPELMQUSP-GFCCVEGCSA-N 1 1 325.365 0.793 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000184342181 528551417 /nfs/dbraw/zinc/55/14/17/528551417.db2.gz USYFIBXOUODTJK-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000191829078 529285120 /nfs/dbraw/zinc/28/51/20/529285120.db2.gz TUGRHQBOUUVDKR-NEPJUHHUSA-N 1 1 339.396 0.728 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000191829078 529285122 /nfs/dbraw/zinc/28/51/22/529285122.db2.gz TUGRHQBOUUVDKR-NEPJUHHUSA-N 1 1 339.396 0.728 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106532 579413086 /nfs/dbraw/zinc/41/30/86/579413086.db2.gz ZMFSWJHXQLAIJR-CHWSQXEVSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106532 579413087 /nfs/dbraw/zinc/41/30/87/579413087.db2.gz ZMFSWJHXQLAIJR-CHWSQXEVSA-N 1 1 329.378 0.381 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163891 578138588 /nfs/dbraw/zinc/13/85/88/578138588.db2.gz OQPBYZYLYHBJBR-GHMZBOCLSA-N 1 1 349.343 0.917 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732149756 578320271 /nfs/dbraw/zinc/32/02/71/578320271.db2.gz OREKMBSEZNSZEY-CQSZACIVSA-N 1 1 346.391 0.307 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCC[NH+]1CCOCC1 ZINC000735894877 578399636 /nfs/dbraw/zinc/39/96/36/578399636.db2.gz WQRGCRNIFVIJMF-UHFFFAOYSA-N 1 1 325.321 0.022 20 5 ECBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737007646 578473016 /nfs/dbraw/zinc/47/30/16/578473016.db2.gz PDIBFWHIHRAQFP-SNVBAGLBSA-N 1 1 333.352 0.908 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000737778434 578527013 /nfs/dbraw/zinc/52/70/13/578527013.db2.gz KRLBQNQPWBDDDJ-UHFFFAOYSA-N 1 1 345.359 0.756 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000769635814 579149267 /nfs/dbraw/zinc/14/92/67/579149267.db2.gz PSMPNHSQTGVQJY-UHFFFAOYSA-N 1 1 335.364 0.375 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1CCO ZINC000779317742 579315076 /nfs/dbraw/zinc/31/50/76/579315076.db2.gz RWRZVSNLSHMYFW-LLVKDONJSA-N 1 1 341.339 0.638 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1CCO ZINC000779317742 579315077 /nfs/dbraw/zinc/31/50/77/579315077.db2.gz RWRZVSNLSHMYFW-LLVKDONJSA-N 1 1 341.339 0.638 20 5 ECBDMO C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000742198071 579781971 /nfs/dbraw/zinc/78/19/71/579781971.db2.gz FIXNYCNIMFXWOM-NSHDSACASA-N 1 1 348.359 0.483 20 5 ECBDMO C[C@H]1CN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000742198071 579781972 /nfs/dbraw/zinc/78/19/72/579781972.db2.gz FIXNYCNIMFXWOM-NSHDSACASA-N 1 1 348.359 0.483 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000744164711 579806824 /nfs/dbraw/zinc/80/68/24/579806824.db2.gz HYJWIOOTTDUXHZ-UHFFFAOYSA-N 1 1 332.364 0.819 20 5 ECBDMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000748351959 579857981 /nfs/dbraw/zinc/85/79/81/579857981.db2.gz VDDYMOILOFOVPM-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000748351959 579857982 /nfs/dbraw/zinc/85/79/82/579857982.db2.gz VDDYMOILOFOVPM-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896581981 586260677 /nfs/dbraw/zinc/26/06/77/586260677.db2.gz OZBNQXNJIVACFS-RISCZKNCSA-N 1 1 336.392 0.968 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839721681 586890206 /nfs/dbraw/zinc/89/02/06/586890206.db2.gz NMFSZQOLYLCEQQ-ARFHVFGLSA-N 1 1 333.388 0.925 20 5 ECBDMO O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839721681 586890207 /nfs/dbraw/zinc/89/02/07/586890207.db2.gz NMFSZQOLYLCEQQ-ARFHVFGLSA-N 1 1 333.388 0.925 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839721681 586890209 /nfs/dbraw/zinc/89/02/09/586890209.db2.gz NMFSZQOLYLCEQQ-ARFHVFGLSA-N 1 1 333.388 0.925 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750490 587161036 /nfs/dbraw/zinc/16/10/36/587161036.db2.gz KQMSCKWUNKBFNQ-IINYFYTJSA-N 1 1 341.339 0.738 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC000816751782 587323365 /nfs/dbraw/zinc/32/33/65/587323365.db2.gz DVZBKYIWBOIZLL-UHFFFAOYSA-N 1 1 333.392 0.496 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823639878 587735723 /nfs/dbraw/zinc/73/57/23/587735723.db2.gz KEXDXYFLPSIBHQ-GFCCVEGCSA-N 1 1 345.363 0.686 20 5 ECBDMO COCC[N@@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824999614 587910528 /nfs/dbraw/zinc/91/05/28/587910528.db2.gz OSYZOEFHXBTIRF-AWEZNQCLSA-N 1 1 325.365 0.713 20 5 ECBDMO CC1(C)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000830554353 588375948 /nfs/dbraw/zinc/37/59/48/588375948.db2.gz YFVDRQBWXUPYER-CQSZACIVSA-N 1 1 337.376 0.543 20 5 ECBDMO CC1(C)CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000830554353 588375950 /nfs/dbraw/zinc/37/59/50/588375950.db2.gz YFVDRQBWXUPYER-CQSZACIVSA-N 1 1 337.376 0.543 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861716558 589879111 /nfs/dbraw/zinc/87/91/11/589879111.db2.gz RPWWGPNYHSGUII-RBSFLKMASA-N 1 1 335.360 0.296 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000119081167 589966745 /nfs/dbraw/zinc/96/67/45/589966745.db2.gz JKPFCGGORUXBHG-NOZJJQNGSA-N 1 1 338.320 0.952 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000119081167 589966747 /nfs/dbraw/zinc/96/67/47/589966747.db2.gz JKPFCGGORUXBHG-NOZJJQNGSA-N 1 1 338.320 0.952 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047706 590363726 /nfs/dbraw/zinc/36/37/26/590363726.db2.gz XFCWOJVHUWXEQH-GHMZBOCLSA-N 1 1 338.286 0.805 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889781086 591094881 /nfs/dbraw/zinc/09/48/81/591094881.db2.gz LICYIRWSMJDOKN-HUUCEWRRSA-N 1 1 334.376 0.969 20 5 ECBDMO Cc1noc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589053 611356801 /nfs/dbraw/zinc/35/68/01/611356801.db2.gz CTMSEEBIEVFDBK-XJFOESAGSA-N 1 1 349.391 0.714 20 5 ECBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000178866326 609132668 /nfs/dbraw/zinc/13/26/68/609132668.db2.gz OPUGBCFTDRNYOP-CVEARBPZSA-N 1 1 339.392 0.253 20 5 ECBDMO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000920023123 609671456 /nfs/dbraw/zinc/67/14/56/609671456.db2.gz XSHYRJPYOXHKJL-SMDDNHRTSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000920023123 609671458 /nfs/dbraw/zinc/67/14/58/609671458.db2.gz XSHYRJPYOXHKJL-SMDDNHRTSA-N 1 1 342.421 0.507 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053528 609697254 /nfs/dbraw/zinc/69/72/54/609697254.db2.gz AZCKXYUSFUEBCM-NWDGAFQWSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053528 609697255 /nfs/dbraw/zinc/69/72/55/609697255.db2.gz AZCKXYUSFUEBCM-NWDGAFQWSA-N 1 1 325.369 0.612 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834539907 611291411 /nfs/dbraw/zinc/29/14/11/611291411.db2.gz WNDVRYDGTKWEJJ-UHFFFAOYSA-N 1 1 344.318 0.755 20 5 ECBDMO CN1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933996627 611764604 /nfs/dbraw/zinc/76/46/04/611764604.db2.gz XVBJCQAPEJJENZ-UHFFFAOYSA-N 1 1 335.408 0.373 20 5 ECBDMO CN(C(=O)c1ccc2c[nH+]cn2c1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954775412 612673587 /nfs/dbraw/zinc/67/35/87/612673587.db2.gz NTAVWBZRTGKYHO-ZIAGYGMSSA-N 1 1 343.343 0.282 20 5 ECBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000956370295 612860263 /nfs/dbraw/zinc/86/02/63/612860263.db2.gz HDHOIGAMWQCOQU-CHWSQXEVSA-N 1 1 338.408 0.245 20 5 ECBDMO Cn1ncc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)n1 ZINC000982278881 751851098 /nfs/dbraw/zinc/85/10/98/751851098.db2.gz UTTIGHPIKOXVBK-XOUADPBQSA-N 1 1 348.407 0.151 20 5 ECBDMO C[C@]12CN(C(=O)C(N)=O)C[C@@]1(C)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000982504556 752607239 /nfs/dbraw/zinc/60/72/39/752607239.db2.gz ZEZXSDKJCVNLOP-CALCHBBNSA-N 1 1 346.387 0.751 20 5 ECBDMO COc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814678 757082992 /nfs/dbraw/zinc/08/29/92/757082992.db2.gz XBDCMIZMXGDGPD-ZMJPVWNMSA-N 1 1 347.375 0.041 20 5 ECBDMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)nn1 ZINC001048525027 760662064 /nfs/dbraw/zinc/66/20/64/760662064.db2.gz HABSAKLNOUPLPO-COWZWYNKSA-N 1 1 348.407 0.340 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 ZINC001048722469 761036918 /nfs/dbraw/zinc/03/69/18/761036918.db2.gz HGFIMVDZRIROCQ-PHIMTYICSA-N 1 1 346.347 0.520 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 ZINC001048722469 761036927 /nfs/dbraw/zinc/03/69/27/761036927.db2.gz HGFIMVDZRIROCQ-PHIMTYICSA-N 1 1 346.347 0.520 20 5 ECBDMO CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079996340 777206305 /nfs/dbraw/zinc/20/63/05/777206305.db2.gz LBWPTIPMMMBZBR-CHWSQXEVSA-N 1 1 340.424 0.441 20 5 ECBDMO CCN(C(=O)C(C)(C)[N@H+](C)CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079996340 777206312 /nfs/dbraw/zinc/20/63/12/777206312.db2.gz LBWPTIPMMMBZBR-CHWSQXEVSA-N 1 1 340.424 0.441 20 5 ECBDMO CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079996340 777206317 /nfs/dbraw/zinc/20/63/17/777206317.db2.gz LBWPTIPMMMBZBR-CHWSQXEVSA-N 1 1 340.424 0.441 20 5 ECBDMO Cn1cc(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC001072725893 788653193 /nfs/dbraw/zinc/65/31/93/788653193.db2.gz VBDOWHNUYSLTLC-ZIAGYGMSSA-N 1 1 333.392 0.162 20 5 ECBDMO Cn1cc(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072725893 788653196 /nfs/dbraw/zinc/65/31/96/788653196.db2.gz VBDOWHNUYSLTLC-ZIAGYGMSSA-N 1 1 333.392 0.162 20 5 ECBDMO Cn1cc(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072725893 788653199 /nfs/dbraw/zinc/65/31/99/788653199.db2.gz VBDOWHNUYSLTLC-ZIAGYGMSSA-N 1 1 333.392 0.162 20 5 ECBDMO CC1(NC(=O)C[NH+]2CCCC2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073015359 789275730 /nfs/dbraw/zinc/27/57/30/789275730.db2.gz BMBVCISDVYCVJM-CHWSQXEVSA-N 1 1 338.408 0.245 20 5 ECBDMO C[NH+](C)CCCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073223329 789625721 /nfs/dbraw/zinc/62/57/21/789625721.db2.gz NUOVMXQXZLARNA-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO Cc1cccc(CNC(=O)CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001266273701 835596297 /nfs/dbraw/zinc/59/62/97/835596297.db2.gz YLAXTHYCKSCDRX-HUUCEWRRSA-N 1 1 348.403 0.324 20 5 ECBDMO CNC(=O)NCC(=O)NCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001266594419 836026137 /nfs/dbraw/zinc/02/61/37/836026137.db2.gz KYIKGTCCQWADEB-UHFFFAOYSA-N 1 1 349.391 0.604 20 5 ECBDMO CNC(=O)NCC(=O)NCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001266594419 836026144 /nfs/dbraw/zinc/02/61/44/836026144.db2.gz KYIKGTCCQWADEB-UHFFFAOYSA-N 1 1 349.391 0.604 20 5 ECBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(CO)CO ZINC000128964200 529871771 /nfs/dbraw/zinc/87/17/71/529871771.db2.gz PQVXQOPRUPNHCW-UHFFFAOYSA-N 1 1 343.355 0.985 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(F)(F)C[NH3+] ZINC000427134337 210181829 /nfs/dbraw/zinc/18/18/29/210181829.db2.gz AMUQKCPZDCXZMW-QMMMGPOBSA-N 1 1 334.327 0.537 20 5 ECBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000154049267 530058461 /nfs/dbraw/zinc/05/84/61/530058461.db2.gz HXYHKEUADOBBCY-OCCSQVGLSA-N 1 1 334.376 0.699 20 5 ECBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354948784 299169372 /nfs/dbraw/zinc/16/93/72/299169372.db2.gz JEDRTKLOVINVFF-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO CN(C)c1nc(N2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)cc[nH+]1 ZINC000355336719 299240761 /nfs/dbraw/zinc/24/07/61/299240761.db2.gz DOAXRAUZYJCXAR-UHFFFAOYSA-N 1 1 346.395 0.507 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132378425 223325241 /nfs/dbraw/zinc/32/52/41/223325241.db2.gz JDWWPLAIXYZQLD-UHFFFAOYSA-N 1 1 349.384 0.899 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132378425 223325243 /nfs/dbraw/zinc/32/52/43/223325243.db2.gz JDWWPLAIXYZQLD-UHFFFAOYSA-N 1 1 349.384 0.899 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000246790212 243314962 /nfs/dbraw/zinc/31/49/62/243314962.db2.gz QNVYLHLUCLIQSC-RYUDHWBXSA-N 1 1 325.369 0.095 20 5 ECBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000266305702 248238004 /nfs/dbraw/zinc/23/80/04/248238004.db2.gz MFJOYJFPLXLQTE-ZDUSSCGKSA-N 1 1 336.392 0.947 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450880293 211348314 /nfs/dbraw/zinc/34/83/14/211348314.db2.gz KQBKALRQFRQARW-INIZCTEOSA-N 1 1 345.359 0.781 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1CC(C)(C)O ZINC000444541990 211083988 /nfs/dbraw/zinc/08/39/88/211083988.db2.gz CERSMZFNIWZBMP-SNVBAGLBSA-N 1 1 337.380 0.489 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1CC(C)(C)O ZINC000444541990 211083990 /nfs/dbraw/zinc/08/39/90/211083990.db2.gz CERSMZFNIWZBMP-SNVBAGLBSA-N 1 1 337.380 0.489 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000268557777 252021443 /nfs/dbraw/zinc/02/14/43/252021443.db2.gz JHYGSWWTAPOFFF-UHFFFAOYSA-N 1 1 334.376 0.831 20 5 ECBDMO COCC[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000173390047 532950460 /nfs/dbraw/zinc/95/04/60/532950460.db2.gz YDEIOAZECQKXPE-UHFFFAOYSA-N 1 1 336.392 0.822 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117339293 221054994 /nfs/dbraw/zinc/05/49/94/221054994.db2.gz YCDYCOUSGIGALW-LLVKDONJSA-N 1 1 334.332 0.843 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117339293 221054997 /nfs/dbraw/zinc/05/49/97/221054997.db2.gz YCDYCOUSGIGALW-LLVKDONJSA-N 1 1 334.332 0.843 20 5 ECBDMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000191867846 533432522 /nfs/dbraw/zinc/43/25/22/533432522.db2.gz ATYVCLHCGGGASB-DRZSPHRISA-N 1 1 326.353 0.283 20 5 ECBDMO CCCN1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000189396328 165010236 /nfs/dbraw/zinc/01/02/36/165010236.db2.gz PFJXUHIMNDCJTL-ZDUSSCGKSA-N 1 1 325.369 0.097 20 5 ECBDMO CCCN1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000189396328 165010238 /nfs/dbraw/zinc/01/02/38/165010238.db2.gz PFJXUHIMNDCJTL-ZDUSSCGKSA-N 1 1 325.369 0.097 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251563481 165206647 /nfs/dbraw/zinc/20/66/47/165206647.db2.gz GTEIUNLILPVJGB-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000251563481 165206650 /nfs/dbraw/zinc/20/66/50/165206650.db2.gz GTEIUNLILPVJGB-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCCC1 ZINC000419377789 209073391 /nfs/dbraw/zinc/07/33/91/209073391.db2.gz QPDPOOVRAXMUKE-CQSZACIVSA-N 1 1 325.413 0.958 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCCC1 ZINC000419377789 209073393 /nfs/dbraw/zinc/07/33/93/209073393.db2.gz QPDPOOVRAXMUKE-CQSZACIVSA-N 1 1 325.413 0.958 20 5 ECBDMO Cc1c(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000174477270 263150199 /nfs/dbraw/zinc/15/01/99/263150199.db2.gz PKEXMBPAUAHJPX-MRXNPFEDSA-N 1 1 337.376 0.716 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000269902538 263211583 /nfs/dbraw/zinc/21/15/83/263211583.db2.gz JPNYCIXKQFPKJB-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO O=C(CC[N@@H+]1CCOC[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295457172 265066042 /nfs/dbraw/zinc/06/60/42/265066042.db2.gz FIMAYEUVNKJEOP-LLVKDONJSA-N 1 1 327.312 0.756 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000264292818 277017431 /nfs/dbraw/zinc/01/74/31/277017431.db2.gz BQJJBCWUANVHTH-NEPJUHHUSA-N 1 1 336.392 0.846 20 5 ECBDMO C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000262764740 297062250 /nfs/dbraw/zinc/06/22/50/297062250.db2.gz SWCXDGGVQGQZKP-SECBINFHSA-N 1 1 343.361 0.348 20 5 ECBDMO CNC(=O)NC(=O)CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345646794 298179405 /nfs/dbraw/zinc/17/94/05/298179405.db2.gz TUHKJZVENDPZBO-JTQLQIEISA-N 1 1 336.352 0.322 20 5 ECBDMO NC(=O)[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000360186959 299951553 /nfs/dbraw/zinc/95/15/53/299951553.db2.gz IXGIILQNUPYYBF-MRVPVSSYSA-N 1 1 329.154 0.621 20 5 ECBDMO C[N@@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccc(F)cc1 ZINC000360898540 300039211 /nfs/dbraw/zinc/03/92/11/300039211.db2.gz WNISJRFHFZRWCY-UHFFFAOYSA-N 1 1 336.327 0.574 20 5 ECBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031732 300242187 /nfs/dbraw/zinc/24/21/87/300242187.db2.gz PZWODCFYXGLGTM-NSHDSACASA-N 1 1 348.407 0.669 20 5 ECBDMO C[NH+]1CCC(N2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031732 300242190 /nfs/dbraw/zinc/24/21/90/300242190.db2.gz PZWODCFYXGLGTM-NSHDSACASA-N 1 1 348.407 0.669 20 5 ECBDMO CC(C)(C)NC(=O)CN1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000363086727 300244891 /nfs/dbraw/zinc/24/48/91/300244891.db2.gz GJGZPEROYGIFOL-VXGBXAGGSA-N 1 1 326.397 0.101 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681913 300285776 /nfs/dbraw/zinc/28/57/76/300285776.db2.gz GTUSOWDVWYPSDU-KBPBESRZSA-N 1 1 348.359 0.513 20 5 ECBDMO CC[N@@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000363966770 300312159 /nfs/dbraw/zinc/31/21/59/300312159.db2.gz VNOKLNLFMJXMHK-HNNXBMFYSA-N 1 1 335.408 0.833 20 5 ECBDMO CC[N@H+]1CCO[C@H](CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000363966770 300312161 /nfs/dbraw/zinc/31/21/61/300312161.db2.gz VNOKLNLFMJXMHK-HNNXBMFYSA-N 1 1 335.408 0.833 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)N2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000073602736 436085059 /nfs/dbraw/zinc/08/50/59/436085059.db2.gz BJUBVPCXYZXGMJ-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000373072981 301045526 /nfs/dbraw/zinc/04/55/26/301045526.db2.gz ZZYIGEKGBQYMSH-AWEZNQCLSA-N 1 1 344.375 0.477 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000375917937 301220735 /nfs/dbraw/zinc/22/07/35/301220735.db2.gz IAMVDWJWDASZGA-GFCCVEGCSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 ZINC000375917937 301220737 /nfs/dbraw/zinc/22/07/37/301220737.db2.gz IAMVDWJWDASZGA-GFCCVEGCSA-N 1 1 343.409 0.291 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000043285596 436330134 /nfs/dbraw/zinc/33/01/34/436330134.db2.gz NHRWQQSWRNOBFO-LBPRGKRZSA-N 1 1 325.369 0.264 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000046448196 436395318 /nfs/dbraw/zinc/39/53/18/436395318.db2.gz GBBKUVQDRRWNDU-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)C1 ZINC000090554347 436432929 /nfs/dbraw/zinc/43/29/29/436432929.db2.gz NMEDWBLPIZEAGW-OAHLLOKOSA-N 1 1 349.435 0.468 20 5 ECBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000048245046 436444672 /nfs/dbraw/zinc/44/46/72/436444672.db2.gz BZBCMUWIMJGNEH-UHFFFAOYSA-N 1 1 344.375 0.839 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000051181289 436485934 /nfs/dbraw/zinc/48/59/34/436485934.db2.gz RJQSFUHHEPNKEO-TXEJJXNPSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000051181289 436485936 /nfs/dbraw/zinc/48/59/36/436485936.db2.gz RJQSFUHHEPNKEO-TXEJJXNPSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000106820641 436602909 /nfs/dbraw/zinc/60/29/09/436602909.db2.gz UCOGIKOTHJSRAR-ZDUSSCGKSA-N 1 1 335.408 0.759 20 5 ECBDMO NS(=O)(=O)c1c(NCC[N@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000530535549 302015042 /nfs/dbraw/zinc/01/50/42/302015042.db2.gz KZLIOWJWBQHANV-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO NS(=O)(=O)c1c(NCC[N@@H+]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000530535549 302015044 /nfs/dbraw/zinc/01/50/44/302015044.db2.gz KZLIOWJWBQHANV-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO COC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000530665369 302022513 /nfs/dbraw/zinc/02/25/13/302022513.db2.gz DMCHPGYGGQNMGH-GFCCVEGCSA-N 1 1 326.353 0.835 20 5 ECBDMO O=C(c1cc(N2CC[NH+](CCO)CC2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000059733895 436632408 /nfs/dbraw/zinc/63/24/08/436632408.db2.gz OQBUVMZNAVRELX-UHFFFAOYSA-N 1 1 348.403 0.945 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000114369695 436640599 /nfs/dbraw/zinc/64/05/99/436640599.db2.gz RGBXOHZHPWMCOM-JTQLQIEISA-N 1 1 325.369 0.477 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2nccc2[N+](=O)[O-])C1 ZINC000119717588 436670428 /nfs/dbraw/zinc/67/04/28/436670428.db2.gz DMDQETHSANVDTB-LBPRGKRZSA-N 1 1 325.369 0.264 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000066045646 436675068 /nfs/dbraw/zinc/67/50/68/436675068.db2.gz CTDAQQRGIPJKTI-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156084108 436810707 /nfs/dbraw/zinc/81/07/07/436810707.db2.gz YAEYQPJKVJFVLA-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156084108 436810711 /nfs/dbraw/zinc/81/07/11/436810711.db2.gz YAEYQPJKVJFVLA-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000273622389 436772405 /nfs/dbraw/zinc/77/24/05/436772405.db2.gz ACBBHXVZPLEIAJ-GFCCVEGCSA-N 1 1 335.364 0.292 20 5 ECBDMO O=C(NC1CC1)N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000273622389 436772409 /nfs/dbraw/zinc/77/24/09/436772409.db2.gz ACBBHXVZPLEIAJ-GFCCVEGCSA-N 1 1 335.364 0.292 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000274583986 436848122 /nfs/dbraw/zinc/84/81/22/436848122.db2.gz SZWMIYAFLZBMBD-UHFFFAOYSA-N 1 1 339.377 0.644 20 5 ECBDMO C[C@@](O)(CNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000255896169 436856119 /nfs/dbraw/zinc/85/61/19/436856119.db2.gz LKYFAESUBMMQOQ-JTGQJZMRSA-N 1 1 349.387 0.807 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000274471145 436829579 /nfs/dbraw/zinc/82/95/79/436829579.db2.gz ZDCKPLSHPDSPRD-UHFFFAOYSA-N 1 1 347.393 0.196 20 5 ECBDMO C[N@H+](CC(C)(CO)CO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135888756 436925298 /nfs/dbraw/zinc/92/52/98/436925298.db2.gz GPRFJCFOWQBGNT-AWEZNQCLSA-N 1 1 337.376 0.623 20 5 ECBDMO C[N@@H+](CC(C)(CO)CO)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135888756 436925301 /nfs/dbraw/zinc/92/53/01/436925301.db2.gz GPRFJCFOWQBGNT-AWEZNQCLSA-N 1 1 337.376 0.623 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261739676 436884684 /nfs/dbraw/zinc/88/46/84/436884684.db2.gz NRHFQVMGYCPDPF-CQSZACIVSA-N 1 1 345.359 0.880 20 5 ECBDMO COC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000134046684 436888484 /nfs/dbraw/zinc/88/84/84/436888484.db2.gz YJMMGYYUCYBOIV-CYBMUJFWSA-N 1 1 326.353 0.570 20 5 ECBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000133999550 436889749 /nfs/dbraw/zinc/88/97/49/436889749.db2.gz QVENKHZQBXIWIF-GFCCVEGCSA-N 1 1 325.365 0.920 20 5 ECBDMO NS(=O)(=O)c1cccc(NCC[N@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000275411832 436965910 /nfs/dbraw/zinc/96/59/10/436965910.db2.gz GDSQBGYAJQSVDK-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000281077605 436944502 /nfs/dbraw/zinc/94/45/02/436944502.db2.gz LCVZBJCTXASXGY-QGZVFWFLSA-N 1 1 346.387 0.942 20 5 ECBDMO NC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000281174572 436951813 /nfs/dbraw/zinc/95/18/13/436951813.db2.gz LKYJUQIXZNYMMY-VIFPVBQESA-N 1 1 329.154 0.621 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000275623168 436993326 /nfs/dbraw/zinc/99/33/26/436993326.db2.gz IQTWQZNROKHBPW-UHFFFAOYSA-N 1 1 345.421 0.635 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000275623168 436993329 /nfs/dbraw/zinc/99/33/29/436993329.db2.gz IQTWQZNROKHBPW-UHFFFAOYSA-N 1 1 345.421 0.635 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275729622 437006595 /nfs/dbraw/zinc/00/65/95/437006595.db2.gz XKUMBFQMDFHCKW-NSHDSACASA-N 1 1 329.378 0.594 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000275729622 437006596 /nfs/dbraw/zinc/00/65/96/437006596.db2.gz XKUMBFQMDFHCKW-NSHDSACASA-N 1 1 329.378 0.594 20 5 ECBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000297504638 437009561 /nfs/dbraw/zinc/00/95/61/437009561.db2.gz VGRYCAAPJHJMFS-LBPRGKRZSA-N 1 1 343.384 0.609 20 5 ECBDMO O=C(NCC[N@@H+]1CCCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275775955 437012049 /nfs/dbraw/zinc/01/20/49/437012049.db2.gz SDDSREOZRGXDAG-UHFFFAOYSA-N 1 1 336.348 0.372 20 5 ECBDMO O=C(NCC[N@H+]1CCCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000275775955 437012052 /nfs/dbraw/zinc/01/20/52/437012052.db2.gz SDDSREOZRGXDAG-UHFFFAOYSA-N 1 1 336.348 0.372 20 5 ECBDMO CC(C)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000298699332 437048122 /nfs/dbraw/zinc/04/81/22/437048122.db2.gz FDFIODBPZGTYSV-LBPRGKRZSA-N 1 1 325.369 0.264 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264767800 437080437 /nfs/dbraw/zinc/08/04/37/437080437.db2.gz OQUAWCLWSSMQOI-UHFFFAOYSA-N 1 1 335.408 0.887 20 5 ECBDMO Cn1nccc1[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414550 437092479 /nfs/dbraw/zinc/09/24/79/437092479.db2.gz BZKDVMPAHYSMIM-GXTWGEPZSA-N 1 1 334.380 0.765 20 5 ECBDMO C[N@@H+](CCC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000286522426 437096643 /nfs/dbraw/zinc/09/66/43/437096643.db2.gz QVDOHGQDJJIGEJ-UHFFFAOYSA-N 1 1 349.391 0.051 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)C1 ZINC000301300893 437118282 /nfs/dbraw/zinc/11/82/82/437118282.db2.gz RDOJWEAGLCIOBT-LBPRGKRZSA-N 1 1 348.407 0.305 20 5 ECBDMO NC(=O)C1=NO[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000276537508 437124589 /nfs/dbraw/zinc/12/45/89/437124589.db2.gz XCJBJDYIPQSISR-VIFPVBQESA-N 1 1 344.274 0.916 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000176353889 437140265 /nfs/dbraw/zinc/14/02/65/437140265.db2.gz XBURSQGCORLHSA-AAEUAGOBSA-N 1 1 325.365 0.648 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000265760685 437188064 /nfs/dbraw/zinc/18/80/64/437188064.db2.gz LOEUXOAIGSFDJH-UHFFFAOYSA-N 1 1 333.352 0.264 20 5 ECBDMO COCCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000266231144 437222947 /nfs/dbraw/zinc/22/29/47/437222947.db2.gz JKZQDAPYPOMGPW-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266264246 437223544 /nfs/dbraw/zinc/22/35/44/437223544.db2.gz PTPMKBBKPDQEOS-GFCCVEGCSA-N 1 1 338.389 0.693 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000181380887 437320184 /nfs/dbraw/zinc/32/01/84/437320184.db2.gz PLNOFBVSAAENPZ-AWEZNQCLSA-N 1 1 345.359 0.880 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CCC[N@H+](C2CC2)CC1 ZINC000181500680 437321556 /nfs/dbraw/zinc/32/15/56/437321556.db2.gz ZWXFNAPUDHMUSD-UHFFFAOYSA-N 1 1 340.405 0.917 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337314048 437350925 /nfs/dbraw/zinc/35/09/25/437350925.db2.gz HOGRSVMCNRUQKS-NSHDSACASA-N 1 1 335.364 0.927 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135429 437376823 /nfs/dbraw/zinc/37/68/23/437376823.db2.gz WSLYRNNICQDPLU-DOMZBBRYSA-N 1 1 334.332 0.302 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278673371 437333373 /nfs/dbraw/zinc/33/33/73/437333373.db2.gz UCXLNFGUTGKWHJ-NSHDSACASA-N 1 1 339.396 0.867 20 5 ECBDMO COCCOCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289069226 437378515 /nfs/dbraw/zinc/37/85/15/437378515.db2.gz RXZQKJDOFHASRJ-CQSZACIVSA-N 1 1 328.365 0.929 20 5 ECBDMO Nc1c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000186614341 437479480 /nfs/dbraw/zinc/47/94/80/437479480.db2.gz WDUIGUROAUCUKV-NSHDSACASA-N 1 1 347.375 0.213 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+](CCO)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000289782907 437440586 /nfs/dbraw/zinc/44/05/86/437440586.db2.gz LUULFAHFHXCVLH-LLVKDONJSA-N 1 1 325.365 0.907 20 5 ECBDMO CO[C@H]1COC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000290130836 437466567 /nfs/dbraw/zinc/46/65/67/437466567.db2.gz LSVQSCBGUJENHA-ZANVPECISA-N 1 1 339.304 0.265 20 5 ECBDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000291383953 437585049 /nfs/dbraw/zinc/58/50/49/437585049.db2.gz BMWFJVXIULWFNX-UHFFFAOYSA-N 1 1 336.801 0.734 20 5 ECBDMO COC(=O)[C@H](CC(C)C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292353850 437683872 /nfs/dbraw/zinc/68/38/72/437683872.db2.gz HQCBBYDAXCVNSN-STQMWFEESA-N 1 1 328.369 0.672 20 5 ECBDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292353850 437683876 /nfs/dbraw/zinc/68/38/76/437683876.db2.gz HQCBBYDAXCVNSN-STQMWFEESA-N 1 1 328.369 0.672 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000355317904 437695169 /nfs/dbraw/zinc/69/51/69/437695169.db2.gz LZBKAFNOHMXJMI-ZIAGYGMSSA-N 1 1 337.380 0.503 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000343986612 437715139 /nfs/dbraw/zinc/71/51/39/437715139.db2.gz QPXQZSRPFVRCDC-UWVGGRQHSA-N 1 1 331.398 0.572 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000343986612 437715143 /nfs/dbraw/zinc/71/51/43/437715143.db2.gz QPXQZSRPFVRCDC-UWVGGRQHSA-N 1 1 331.398 0.572 20 5 ECBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000370607326 437810583 /nfs/dbraw/zinc/81/05/83/437810583.db2.gz VWOGEHXANGTJKL-ZDUSSCGKSA-N 1 1 333.348 1.519 20 5 ECBDMO CC(C)[N@H+]1CCO[C@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000370607326 437810590 /nfs/dbraw/zinc/81/05/90/437810590.db2.gz VWOGEHXANGTJKL-ZDUSSCGKSA-N 1 1 333.348 1.519 20 5 ECBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CCOC ZINC000357042158 437894579 /nfs/dbraw/zinc/89/45/79/437894579.db2.gz GIIACRLQPVALDR-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CCOC ZINC000357042158 437894583 /nfs/dbraw/zinc/89/45/83/437894583.db2.gz GIIACRLQPVALDR-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502092 437943526 /nfs/dbraw/zinc/94/35/26/437943526.db2.gz ZSLQVIPIEYFMRJ-NEPJUHHUSA-N 1 1 349.343 0.917 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000365802237 437975285 /nfs/dbraw/zinc/97/52/85/437975285.db2.gz BCULMCUWKKCKFE-CYBMUJFWSA-N 1 1 333.348 0.633 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](CCO)CC2)c1 ZINC000357691991 438044681 /nfs/dbraw/zinc/04/46/81/438044681.db2.gz AMHQWOWZCPDXQU-UHFFFAOYSA-N 1 1 337.376 0.809 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348760064 438095696 /nfs/dbraw/zinc/09/56/96/438095696.db2.gz FCCOIHAIEQITCH-KBPBESRZSA-N 1 1 337.376 0.351 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348760064 438095699 /nfs/dbraw/zinc/09/56/99/438095699.db2.gz FCCOIHAIEQITCH-KBPBESRZSA-N 1 1 337.376 0.351 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000358052798 438134804 /nfs/dbraw/zinc/13/48/04/438134804.db2.gz UWDHQRGPRKCEEP-MRXNPFEDSA-N 1 1 345.359 0.577 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000358443079 438226967 /nfs/dbraw/zinc/22/69/67/438226967.db2.gz LHOBRJMEMBJPJZ-GFCCVEGCSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000358443079 438226971 /nfs/dbraw/zinc/22/69/71/438226971.db2.gz LHOBRJMEMBJPJZ-GFCCVEGCSA-N 1 1 329.378 0.727 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000367994472 438275813 /nfs/dbraw/zinc/27/58/13/438275813.db2.gz SCPFJPUGUWHDPI-LLVKDONJSA-N 1 1 332.360 0.681 20 5 ECBDMO Nc1nc(NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000377601072 438314823 /nfs/dbraw/zinc/31/48/23/438314823.db2.gz LHEWZWHTCHRLRD-ZDUSSCGKSA-N 1 1 343.391 1.108 20 5 ECBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273670 438446563 /nfs/dbraw/zinc/44/65/63/438446563.db2.gz IKSLYTQFULBQKJ-GFCCVEGCSA-N 1 1 336.396 0.076 20 5 ECBDMO C[NH+]1CCC(N2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000369273670 438446566 /nfs/dbraw/zinc/44/65/66/438446566.db2.gz IKSLYTQFULBQKJ-GFCCVEGCSA-N 1 1 336.396 0.076 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000369287796 438448527 /nfs/dbraw/zinc/44/85/27/438448527.db2.gz KTGPIOAIBSAYFK-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000369287796 438448530 /nfs/dbraw/zinc/44/85/30/438448530.db2.gz KTGPIOAIBSAYFK-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO COc1ccc(OCCN2CC[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000452120327 438642870 /nfs/dbraw/zinc/64/28/70/438642870.db2.gz RCKZRXMQQCUDLC-CYBMUJFWSA-N 1 1 339.392 0.981 20 5 ECBDMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451656789 438705447 /nfs/dbraw/zinc/70/54/47/438705447.db2.gz WTVBDRGEJQMPMO-BETUJISGSA-N 1 1 336.392 0.920 20 5 ECBDMO Cn1cc(C[NH2+]C[C@H]2CNCCN2C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414977216 438724203 /nfs/dbraw/zinc/72/42/03/438724203.db2.gz POQHKQJKEUTIKB-MRXNPFEDSA-N 1 1 344.419 0.989 20 5 ECBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588069891 438816574 /nfs/dbraw/zinc/81/65/74/438816574.db2.gz SKOCUKQWQNRMRI-BXUZGUMPSA-N 1 1 336.392 0.969 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601173017 438824956 /nfs/dbraw/zinc/82/49/56/438824956.db2.gz OTHVNMSUHCGACH-QMMMGPOBSA-N 1 1 337.302 0.850 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601173017 438824958 /nfs/dbraw/zinc/82/49/58/438824958.db2.gz OTHVNMSUHCGACH-QMMMGPOBSA-N 1 1 337.302 0.850 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000457753451 438827020 /nfs/dbraw/zinc/82/70/20/438827020.db2.gz VJGVUHZZWWSBDH-UHFFFAOYSA-N 1 1 334.376 0.924 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860717 438844438 /nfs/dbraw/zinc/84/44/38/438844438.db2.gz KYNFPTJCFKOKQD-CHWSQXEVSA-N 1 1 334.376 0.674 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595735563 438850703 /nfs/dbraw/zinc/85/07/03/438850703.db2.gz AZKSEXXZACVKHY-YPMHNXCESA-N 1 1 332.360 0.794 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596110122 438926745 /nfs/dbraw/zinc/92/67/45/438926745.db2.gz JDXMTUCDQDZBBM-UHFFFAOYSA-N 1 1 335.364 0.270 20 5 ECBDMO CN(CC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551474 438930829 /nfs/dbraw/zinc/93/08/29/438930829.db2.gz YIHTVXOYNDWSAZ-KGLIPLIRSA-N 1 1 348.403 0.699 20 5 ECBDMO NC(=O)c1cc(N2CCC[C@@H]2C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596200511 438940466 /nfs/dbraw/zinc/94/04/66/438940466.db2.gz ORVVMRQBBFIEIO-CYBMUJFWSA-N 1 1 334.376 0.995 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202177 438941109 /nfs/dbraw/zinc/94/11/09/438941109.db2.gz QRHJITLNTOCPTO-NSHDSACASA-N 1 1 336.392 0.975 20 5 ECBDMO C[C@@H]1COCCN1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542828 438968828 /nfs/dbraw/zinc/96/88/28/438968828.db2.gz QGTLYJWVWXTQMX-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H]1COCC[N@@H+]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542828 438968835 /nfs/dbraw/zinc/96/88/35/438968835.db2.gz QGTLYJWVWXTQMX-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H]1COCC[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542828 438968837 /nfs/dbraw/zinc/96/88/37/438968837.db2.gz QGTLYJWVWXTQMX-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1COCC[N@@H+]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502206 438970038 /nfs/dbraw/zinc/97/00/38/438970038.db2.gz DSAJRFAJPWUNSX-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1COCC[N@H+]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459502206 438970045 /nfs/dbraw/zinc/97/00/45/438970045.db2.gz DSAJRFAJPWUNSX-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000517993243 438983282 /nfs/dbraw/zinc/98/32/82/438983282.db2.gz WIRIDDSQGRLFHA-UHFFFAOYSA-N 1 1 337.332 0.776 20 5 ECBDMO COc1ccc(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000518963303 439015207 /nfs/dbraw/zinc/01/52/07/439015207.db2.gz PWYPUYDWEBOIFA-CYBMUJFWSA-N 1 1 336.392 0.508 20 5 ECBDMO COc1ccc(CC(=O)NC[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000518963303 439015213 /nfs/dbraw/zinc/01/52/13/439015213.db2.gz PWYPUYDWEBOIFA-CYBMUJFWSA-N 1 1 336.392 0.508 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000602196825 439037845 /nfs/dbraw/zinc/03/78/45/439037845.db2.gz DLCAQCLJAQVTJS-UHFFFAOYSA-N 1 1 344.375 0.573 20 5 ECBDMO CN(Cc1nc(C[NH3+])no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000567110206 439113960 /nfs/dbraw/zinc/11/39/60/439113960.db2.gz ZIEOKAHAWSWLRD-UHFFFAOYSA-N 1 1 327.322 0.257 20 5 ECBDMO CCC[N@@H+](C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000567116234 439117170 /nfs/dbraw/zinc/11/71/70/439117170.db2.gz VVMSZNWYKAUZHQ-UHFFFAOYSA-N 1 1 346.391 1.408 20 5 ECBDMO COc1cc(C[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1O ZINC000580718890 439122610 /nfs/dbraw/zinc/12/26/10/439122610.db2.gz GHCKGVVTNGVENO-JTQLQIEISA-N 1 1 345.377 0.433 20 5 ECBDMO COC(=O)[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000602840659 439143234 /nfs/dbraw/zinc/14/32/34/439143234.db2.gz OYZBMQWVRRLETB-GFCCVEGCSA-N 1 1 325.369 0.136 20 5 ECBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602840659 439143235 /nfs/dbraw/zinc/14/32/35/439143235.db2.gz OYZBMQWVRRLETB-GFCCVEGCSA-N 1 1 325.369 0.136 20 5 ECBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602840659 439143238 /nfs/dbraw/zinc/14/32/38/439143238.db2.gz OYZBMQWVRRLETB-GFCCVEGCSA-N 1 1 325.369 0.136 20 5 ECBDMO CNc1nccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694550 439161079 /nfs/dbraw/zinc/16/10/79/439161079.db2.gz LDZFQYNIKIOZBX-STQMWFEESA-N 1 1 349.391 0.967 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694803 439161703 /nfs/dbraw/zinc/16/17/03/439161703.db2.gz NXOBYQGAMUGCFA-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694803 439161705 /nfs/dbraw/zinc/16/17/05/439161705.db2.gz NXOBYQGAMUGCFA-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694803 439161708 /nfs/dbraw/zinc/16/17/08/439161708.db2.gz NXOBYQGAMUGCFA-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000597694202 439161767 /nfs/dbraw/zinc/16/17/67/439161767.db2.gz JUFFXHZZUGLBNF-WCQYABFASA-N 1 1 337.380 0.746 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)n1 ZINC000597694201 439161801 /nfs/dbraw/zinc/16/18/01/439161801.db2.gz JUFFXHZZUGLBNF-DGCLKSJQSA-N 1 1 337.380 0.746 20 5 ECBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCO[C@@H]1C ZINC000489447164 439227843 /nfs/dbraw/zinc/22/78/43/439227843.db2.gz KBSGIBGMUKZFTG-KWCYVHTRSA-N 1 1 328.369 0.278 20 5 ECBDMO CNS(=O)(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000598594414 439282931 /nfs/dbraw/zinc/28/29/31/439282931.db2.gz GVLOIPCYYACLFI-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCO[C@H]1C ZINC000489446073 439229120 /nfs/dbraw/zinc/22/91/20/439229120.db2.gz GBMCYFQONVHCAS-GXTWGEPZSA-N 1 1 325.365 0.882 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)n1 ZINC000598367466 439256603 /nfs/dbraw/zinc/25/66/03/439256603.db2.gz ZGSZFOFSCDMQTF-CHWSQXEVSA-N 1 1 349.391 0.702 20 5 ECBDMO CC[N@H+]1CCCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598596015 439284390 /nfs/dbraw/zinc/28/43/90/439284390.db2.gz NKYYPNPDLHYZRE-UHFFFAOYSA-N 1 1 336.396 0.753 20 5 ECBDMO Cc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000599015711 439346158 /nfs/dbraw/zinc/34/61/58/439346158.db2.gz KELZNFZKLYMDOW-UHFFFAOYSA-N 1 1 328.394 0.483 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000582715386 439370447 /nfs/dbraw/zinc/37/04/47/439370447.db2.gz RARJLRVCYDADLJ-UHFFFAOYSA-N 1 1 344.322 0.415 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000593532467 439396055 /nfs/dbraw/zinc/39/60/55/439396055.db2.gz WLVWEHKPRQWWRV-SNVBAGLBSA-N 1 1 326.378 0.752 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546466 439400815 /nfs/dbraw/zinc/40/08/15/439400815.db2.gz LQQGARSYFKYJQO-LLVKDONJSA-N 1 1 328.394 0.952 20 5 ECBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000593572541 439411631 /nfs/dbraw/zinc/41/16/31/439411631.db2.gz OQSWYNWGPZDSEK-JQWIXIFHSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000593572541 439411633 /nfs/dbraw/zinc/41/16/33/439411633.db2.gz OQSWYNWGPZDSEK-JQWIXIFHSA-N 1 1 326.378 0.705 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000599274374 439412098 /nfs/dbraw/zinc/41/20/98/439412098.db2.gz RIDMZRUPEOQESC-NXEZZACHSA-N 1 1 329.382 0.043 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000599274374 439412103 /nfs/dbraw/zinc/41/21/03/439412103.db2.gz RIDMZRUPEOQESC-NXEZZACHSA-N 1 1 329.382 0.043 20 5 ECBDMO C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2noc(C[NH3+])n2)C1=O ZINC000570803458 439450623 /nfs/dbraw/zinc/45/06/23/439450623.db2.gz TVIXHDSXMKESLJ-CQSZACIVSA-N 1 1 346.303 0.404 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594028000 439509576 /nfs/dbraw/zinc/50/95/76/439509576.db2.gz YPEDEBXMAKZIIA-UONOGXRCSA-N 1 1 334.376 0.593 20 5 ECBDMO COc1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000594393458 439553387 /nfs/dbraw/zinc/55/33/87/439553387.db2.gz NPHGLBKOBPNOMF-QWHCGFSZSA-N 1 1 335.360 0.803 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609257751 439556442 /nfs/dbraw/zinc/55/64/42/439556442.db2.gz KZRHTMNWBZIKNT-SNVBAGLBSA-N 1 1 346.343 0.401 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594603932 439581056 /nfs/dbraw/zinc/58/10/56/439581056.db2.gz ORSYCSODVRLPBL-NWDGAFQWSA-N 1 1 335.360 0.945 20 5 ECBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263878 439606337 /nfs/dbraw/zinc/60/63/37/439606337.db2.gz KMFVLGGCYALQOZ-NSHDSACASA-N 1 1 326.378 0.847 20 5 ECBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263878 439606342 /nfs/dbraw/zinc/60/63/42/439606342.db2.gz KMFVLGGCYALQOZ-NSHDSACASA-N 1 1 326.378 0.847 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265104 439607839 /nfs/dbraw/zinc/60/78/39/439607839.db2.gz PFTAFYDIZHYHQJ-QWRGUYRKSA-N 1 1 328.394 0.951 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106739 439672461 /nfs/dbraw/zinc/67/24/61/439672461.db2.gz FLFHGKHQPIXMOY-UWVGGRQHSA-N 1 1 343.409 0.715 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000611516156 439703416 /nfs/dbraw/zinc/70/34/16/439703416.db2.gz XGOHFLFIRVULQO-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO Nc1nccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000574532148 439712538 /nfs/dbraw/zinc/71/25/38/439712538.db2.gz UYOFJFDODLEMFA-GFCCVEGCSA-N 1 1 349.391 0.756 20 5 ECBDMO COc1ccc(OC[C@@H](O)CN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000573924086 439674033 /nfs/dbraw/zinc/67/40/33/439674033.db2.gz CESARLISUGRFTO-LBPRGKRZSA-N 1 1 325.365 0.591 20 5 ECBDMO O=C1NC(=O)C2(CC[NH+](Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)N1 ZINC000611173414 439678529 /nfs/dbraw/zinc/67/85/29/439678529.db2.gz CXUOKZFWAPFQDV-UHFFFAOYSA-N 1 1 345.315 0.910 20 5 ECBDMO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000342280061 321084717 /nfs/dbraw/zinc/08/47/17/321084717.db2.gz KZGSZGLEBJWPMX-NEPJUHHUSA-N 1 1 334.376 0.969 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000345959622 321210797 /nfs/dbraw/zinc/21/07/97/321210797.db2.gz DVPWQTVSUKIJEW-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO CC(C)[NH+]1CCN([C@@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000531340871 322038217 /nfs/dbraw/zinc/03/82/17/322038217.db2.gz ZFJYSMPMHGXNRV-OAHLLOKOSA-N 1 1 336.440 0.892 20 5 ECBDMO COc1cc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000565247424 322445529 /nfs/dbraw/zinc/44/55/29/322445529.db2.gz ZRNBWKUJCIEEAU-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187729556 533910171 /nfs/dbraw/zinc/91/01/71/533910171.db2.gz VSEIKFCOOBASBR-ZDUSSCGKSA-N 1 1 348.403 0.482 20 5 ECBDMO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187729556 533910176 /nfs/dbraw/zinc/91/01/76/533910176.db2.gz VSEIKFCOOBASBR-ZDUSSCGKSA-N 1 1 348.403 0.482 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416395693 546208953 /nfs/dbraw/zinc/20/89/53/546208953.db2.gz XGNMCMQZCGOXSQ-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416395693 546208955 /nfs/dbraw/zinc/20/89/55/546208955.db2.gz XGNMCMQZCGOXSQ-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000619478286 546331951 /nfs/dbraw/zinc/33/19/51/546331951.db2.gz XCBZXUSIYHDDTR-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000619478286 546331956 /nfs/dbraw/zinc/33/19/56/546331956.db2.gz XCBZXUSIYHDDTR-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873718 546376729 /nfs/dbraw/zinc/37/67/29/546376729.db2.gz RVCVIBLJNUCWFB-CQSZACIVSA-N 1 1 334.376 0.480 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000757810103 579464625 /nfs/dbraw/zinc/46/46/25/579464625.db2.gz GUIMTYSPABOZFN-ZDUSSCGKSA-N 1 1 349.391 0.899 20 5 ECBDMO COCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000737003196 578471974 /nfs/dbraw/zinc/47/19/74/578471974.db2.gz FCNSJTPNPNSUQR-LLVKDONJSA-N 1 1 347.379 0.932 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000737003196 578471975 /nfs/dbraw/zinc/47/19/75/578471975.db2.gz FCNSJTPNPNSUQR-LLVKDONJSA-N 1 1 347.379 0.932 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000784469812 578752643 /nfs/dbraw/zinc/75/26/43/578752643.db2.gz YSFWJXHAFDZXKD-SNVBAGLBSA-N 1 1 339.352 0.038 20 5 ECBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746671394 579843144 /nfs/dbraw/zinc/84/31/44/579843144.db2.gz LECHMAMNNGORTO-JTQLQIEISA-N 1 1 335.286 0.886 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000746671394 579843145 /nfs/dbraw/zinc/84/31/45/579843145.db2.gz LECHMAMNNGORTO-JTQLQIEISA-N 1 1 335.286 0.886 20 5 ECBDMO C[N@@H+](CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000839654079 586886172 /nfs/dbraw/zinc/88/61/72/586886172.db2.gz DTFQMWFIVRNFLA-IAGOWNOFSA-N 1 1 346.431 0.928 20 5 ECBDMO C[N@H+](CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000839654079 586886174 /nfs/dbraw/zinc/88/61/74/586886174.db2.gz DTFQMWFIVRNFLA-IAGOWNOFSA-N 1 1 346.431 0.928 20 5 ECBDMO C[N@@H+](CCN1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000839654079 586886177 /nfs/dbraw/zinc/88/61/77/586886177.db2.gz DTFQMWFIVRNFLA-IAGOWNOFSA-N 1 1 346.431 0.928 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060663 587094932 /nfs/dbraw/zinc/09/49/32/587094932.db2.gz OIRJQJOPYWHEHD-GDBMZVCRSA-N 1 1 348.359 0.687 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060663 587094935 /nfs/dbraw/zinc/09/49/35/587094935.db2.gz OIRJQJOPYWHEHD-GDBMZVCRSA-N 1 1 348.359 0.687 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000816952330 587330196 /nfs/dbraw/zinc/33/01/96/587330196.db2.gz IDCWGUTZZFDTMQ-TZMCWYRMSA-N 1 1 333.344 0.949 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821331653 587586114 /nfs/dbraw/zinc/58/61/14/587586114.db2.gz BXJNQVOQSLBNTN-IJEWVQPXSA-N 1 1 349.387 0.745 20 5 ECBDMO COCC[N@@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824999617 587909967 /nfs/dbraw/zinc/90/99/67/587909967.db2.gz OSYZOEFHXBTIRF-CQSZACIVSA-N 1 1 325.365 0.713 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827840153 588143240 /nfs/dbraw/zinc/14/32/40/588143240.db2.gz IHJHJOFVLRCXNR-AWEZNQCLSA-N 1 1 337.376 0.543 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@]1(O)CCc2ccccc21 ZINC000829338713 588322443 /nfs/dbraw/zinc/32/24/43/588322443.db2.gz YRXQUMVJFHOIRO-NVXWUHKLSA-N 1 1 346.387 0.918 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000830022614 588354962 /nfs/dbraw/zinc/35/49/62/588354962.db2.gz LRRNCACSVWNCGZ-NEPJUHHUSA-N 1 1 339.421 0.796 20 5 ECBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000121785741 589831881 /nfs/dbraw/zinc/83/18/81/589831881.db2.gz YJTLRIMLACZTQT-PHIMTYICSA-N 1 1 339.396 0.818 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C[C@@H]1C ZINC000121785741 589831882 /nfs/dbraw/zinc/83/18/82/589831882.db2.gz YJTLRIMLACZTQT-PHIMTYICSA-N 1 1 339.396 0.818 20 5 ECBDMO O=C(NC1CC([NH+]2CCOCC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000862108321 589920468 /nfs/dbraw/zinc/92/04/68/589920468.db2.gz TUWRHWDDDSEYPE-PESDSKBTSA-N 1 1 335.360 0.608 20 5 ECBDMO CO[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880303896 590382508 /nfs/dbraw/zinc/38/25/08/590382508.db2.gz SHQLJMPCWIUWIK-WDEREUQCSA-N 1 1 338.286 0.805 20 5 ECBDMO C[N@@H+](CCO)CCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000884825190 590930379 /nfs/dbraw/zinc/93/03/79/590930379.db2.gz KNHPWMZHVVNFAX-UHFFFAOYSA-N 1 1 338.408 0.763 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)C1 ZINC000930618141 611447833 /nfs/dbraw/zinc/44/78/33/611447833.db2.gz CGBJIFNFGHXSQF-CYBMUJFWSA-N 1 1 348.407 0.655 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928092709 608674881 /nfs/dbraw/zinc/67/48/81/608674881.db2.gz IVFBDKVQKKCTEE-VXGBXAGGSA-N 1 1 325.394 0.487 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000919988188 609669101 /nfs/dbraw/zinc/66/91/01/609669101.db2.gz CGMQQYDZGNUZNX-RISCZKNCSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000919988188 609669103 /nfs/dbraw/zinc/66/91/03/609669103.db2.gz CGMQQYDZGNUZNX-RISCZKNCSA-N 1 1 342.421 0.507 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967965 611762539 /nfs/dbraw/zinc/76/25/39/611762539.db2.gz WQMOFLXQBOMOPP-DVOMOZLQSA-N 1 1 338.360 0.824 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967965 611762540 /nfs/dbraw/zinc/76/25/40/611762540.db2.gz WQMOFLXQBOMOPP-DVOMOZLQSA-N 1 1 338.360 0.824 20 5 ECBDMO CCOC(=O)c1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC000413475576 719472894 /nfs/dbraw/zinc/47/28/94/719472894.db2.gz YQYJYTLZKOWCJE-NEPJUHHUSA-N 1 1 336.348 0.686 20 5 ECBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164683746 719726244 /nfs/dbraw/zinc/72/62/44/719726244.db2.gz FRVFRJQUXVJDQG-UHFFFAOYSA-N 1 1 348.407 0.753 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775321 739943597 /nfs/dbraw/zinc/94/35/97/739943597.db2.gz PAHQFXMTAHRARL-LJIZCISZSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3cccc(F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775321 739943602 /nfs/dbraw/zinc/94/36/02/739943602.db2.gz PAHQFXMTAHRARL-LJIZCISZSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3cccc(F)c3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775321 739943605 /nfs/dbraw/zinc/94/36/05/739943605.db2.gz PAHQFXMTAHRARL-LJIZCISZSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1cnon1 ZINC001026115888 740387058 /nfs/dbraw/zinc/38/70/58/740387058.db2.gz KBWCTTGQDUIFMP-IMRBUKKESA-N 1 1 329.316 0.838 20 5 ECBDMO CC(C)[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000998933448 744412642 /nfs/dbraw/zinc/41/26/42/744412642.db2.gz GFGBVKSLVQENNZ-ZIAGYGMSSA-N 1 1 338.408 0.099 20 5 ECBDMO CCc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C ZINC000983648281 744991124 /nfs/dbraw/zinc/99/11/24/744991124.db2.gz HMTKKOMCOPMLMO-DDHJBXDOSA-N 1 1 336.396 0.027 20 5 ECBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cn(CC3CC3)nn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653552 745000831 /nfs/dbraw/zinc/00/08/31/745000831.db2.gz JQPYGMZUWFIKST-QHSBEEBCSA-N 1 1 348.407 0.338 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2cnco2)CC1 ZINC001001693656 746607204 /nfs/dbraw/zinc/60/72/04/746607204.db2.gz ZKRITODKHILUQT-UHFFFAOYSA-N 1 1 348.363 0.958 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000985019179 747275953 /nfs/dbraw/zinc/27/59/53/747275953.db2.gz CGXFSXOXTHAMTE-JOCQHMNTSA-N 1 1 344.375 0.940 20 5 ECBDMO CCc1nnc(CN(C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC000985424939 747978398 /nfs/dbraw/zinc/97/83/98/747978398.db2.gz CDLDTAGZFSKWGK-VXGBXAGGSA-N 1 1 337.380 0.720 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059647100 749100105 /nfs/dbraw/zinc/10/01/05/749100105.db2.gz IMHBXTNRKZSGIZ-AOOOYVTPSA-N 1 1 346.351 0.231 20 5 ECBDMO O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980677788 749962975 /nfs/dbraw/zinc/96/29/75/749962975.db2.gz XGPJHEOSXLDXCS-UHFFFAOYSA-N 1 1 345.363 0.316 20 5 ECBDMO O=C(Cn1cnnn1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000980677788 749962980 /nfs/dbraw/zinc/96/29/80/749962980.db2.gz XGPJHEOSXLDXCS-UHFFFAOYSA-N 1 1 345.363 0.316 20 5 ECBDMO Cn1cc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC000981764755 751076738 /nfs/dbraw/zinc/07/67/38/751076738.db2.gz BSCRWCQGSAYLPL-ZIAGYGMSSA-N 1 1 333.392 0.510 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001020904296 752315797 /nfs/dbraw/zinc/31/57/97/752315797.db2.gz RWXCMIJNGKYGGX-HAQNSBGRSA-N 1 1 330.348 0.692 20 5 ECBDMO CCCCN(CCCC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939264 756807230 /nfs/dbraw/zinc/80/72/30/756807230.db2.gz VKZZOAFPEUVAIW-ZIAGYGMSSA-N 1 1 342.440 0.786 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]CCn2cc(Cl)cn2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063567 758226347 /nfs/dbraw/zinc/22/63/47/758226347.db2.gz DMIORBANPJHPFV-WRWGMCAJSA-N 1 1 327.772 0.439 20 5 ECBDMO CC(C)(C(=O)N1CC(NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCCC1 ZINC000991294931 760159264 /nfs/dbraw/zinc/15/92/64/760159264.db2.gz VOFSNQZICRKKJQ-CHWSQXEVSA-N 1 1 338.408 0.243 20 5 ECBDMO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)Cn1cc[nH+]c1C ZINC001106768370 768911498 /nfs/dbraw/zinc/91/14/98/768911498.db2.gz WUMLOPAWTXRADP-UHFFFAOYSA-N 1 1 348.367 0.433 20 5 ECBDMO C[N@@H+](CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)C1CCC1 ZINC001056062598 770716579 /nfs/dbraw/zinc/71/65/79/770716579.db2.gz LTGOCAMLFVLSOK-UHFFFAOYSA-N 1 1 349.391 0.828 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040700132 783296166 /nfs/dbraw/zinc/29/61/66/783296166.db2.gz JIZCTRKOKQBDPY-CHWSQXEVSA-N 1 1 338.408 0.054 20 5 ECBDMO CN(CCCN(C)C(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388995 793075835 /nfs/dbraw/zinc/07/58/35/793075835.db2.gz ODMHENXLELKAHC-ZIAGYGMSSA-N 1 1 340.424 0.300 20 5 ECBDMO O=C(C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccccc1 ZINC001266683931 836136910 /nfs/dbraw/zinc/13/69/10/836136910.db2.gz YWXPDBRWGGEDGM-XJFOESAGSA-N 1 1 332.360 0.527 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154303432 530055900 /nfs/dbraw/zinc/05/59/00/530055900.db2.gz IJWDUXGSEFBIIQ-OAHLLOKOSA-N 1 1 346.387 0.973 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000131486526 223239008 /nfs/dbraw/zinc/23/90/08/223239008.db2.gz VPBOACQQOLCDAJ-ZDUSSCGKSA-N 1 1 339.396 0.453 20 5 ECBDMO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193616036 240234699 /nfs/dbraw/zinc/23/46/99/240234699.db2.gz PWQJIIKJUWSSLG-GXFFZTMASA-N 1 1 341.389 0.483 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000109991929 220007772 /nfs/dbraw/zinc/00/77/72/220007772.db2.gz JWVQEWPVGLFTSS-LLVKDONJSA-N 1 1 330.348 0.857 20 5 ECBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356449834 299391141 /nfs/dbraw/zinc/39/11/41/299391141.db2.gz VBCZVEBIGWDUSH-UHFFFAOYSA-N 1 1 338.412 0.426 20 5 ECBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000356449834 299391145 /nfs/dbraw/zinc/39/11/45/299391145.db2.gz VBCZVEBIGWDUSH-UHFFFAOYSA-N 1 1 338.412 0.426 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000266626310 248388988 /nfs/dbraw/zinc/38/89/88/248388988.db2.gz JEBDGUMWYJRYHV-LBPRGKRZSA-N 1 1 336.348 0.370 20 5 ECBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCNC(=O)C1 ZINC000451556895 211395945 /nfs/dbraw/zinc/39/59/45/211395945.db2.gz DUGFNCDEKQESRT-CQSZACIVSA-N 1 1 346.387 0.733 20 5 ECBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCNC(=O)C1 ZINC000451556895 211395947 /nfs/dbraw/zinc/39/59/47/211395947.db2.gz DUGFNCDEKQESRT-CQSZACIVSA-N 1 1 346.387 0.733 20 5 ECBDMO C[C@@](O)(CN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C[NH+]1CCOCC1 ZINC000447685845 211200279 /nfs/dbraw/zinc/20/02/79/211200279.db2.gz BLVODNRQDVLARF-OAHLLOKOSA-N 1 1 335.364 0.388 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843017 218175149 /nfs/dbraw/zinc/17/51/49/218175149.db2.gz KYBCLOKRZRQSKT-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843017 218175152 /nfs/dbraw/zinc/17/51/52/218175152.db2.gz KYBCLOKRZRQSKT-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CO ZINC000411606262 208121097 /nfs/dbraw/zinc/12/10/97/208121097.db2.gz BIYMXEDQSWLRQW-VXGBXAGGSA-N 1 1 325.365 0.987 20 5 ECBDMO Cc1cc([N+](=O)[O-])cn(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c1=O ZINC000414151854 208395366 /nfs/dbraw/zinc/39/53/66/208395366.db2.gz WRFICMRENYHWQZ-YRGRVCCFSA-N 1 1 325.365 0.535 20 5 ECBDMO COC(=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C(C)C ZINC000429391494 210315743 /nfs/dbraw/zinc/31/57/43/210315743.db2.gz CWAHMRVWFUIJKR-RDBSUJKOSA-N 1 1 340.380 0.672 20 5 ECBDMO COc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000123919636 296652367 /nfs/dbraw/zinc/65/23/67/296652367.db2.gz PHSFUIUGFWKLMV-AOOOYVTPSA-N 1 1 329.378 0.974 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000298282451 296836696 /nfs/dbraw/zinc/83/66/96/296836696.db2.gz GHSRTGZUBMPXDT-UHFFFAOYSA-N 1 1 326.378 0.597 20 5 ECBDMO CC(C)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000298699327 296845208 /nfs/dbraw/zinc/84/52/08/296845208.db2.gz FDFIODBPZGTYSV-GFCCVEGCSA-N 1 1 325.369 0.264 20 5 ECBDMO C[C@H](O)C[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000189314616 165008824 /nfs/dbraw/zinc/00/88/24/165008824.db2.gz AYUKZLINTQHOFV-BBRMVZONSA-N 1 1 348.403 0.699 20 5 ECBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246008419 165120925 /nfs/dbraw/zinc/12/09/25/165120925.db2.gz SRFOBRFXVKUCTM-JSGCOSHPSA-N 1 1 336.396 0.917 20 5 ECBDMO COc1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000261732437 165232768 /nfs/dbraw/zinc/23/27/68/165232768.db2.gz RXGKKGYSFJXPMH-CYBMUJFWSA-N 1 1 336.392 0.890 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1c1nccn1C ZINC000261742954 165235847 /nfs/dbraw/zinc/23/58/47/165235847.db2.gz OCXWIMBPBLRGPO-ZDUSSCGKSA-N 1 1 330.348 0.818 20 5 ECBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299474243 296865672 /nfs/dbraw/zinc/86/56/72/296865672.db2.gz CLERLWFFMLUXQM-LLVKDONJSA-N 1 1 333.348 0.714 20 5 ECBDMO COCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000174853748 263151187 /nfs/dbraw/zinc/15/11/87/263151187.db2.gz DVDJJXHESXLQNJ-LBPRGKRZSA-N 1 1 346.409 0.317 20 5 ECBDMO COCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000174853748 263151189 /nfs/dbraw/zinc/15/11/89/263151189.db2.gz DVDJJXHESXLQNJ-LBPRGKRZSA-N 1 1 346.409 0.317 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1[N+](=O)[O-] ZINC000278273477 263825328 /nfs/dbraw/zinc/82/53/28/263825328.db2.gz OLJIFTMGQZUSEW-SNVBAGLBSA-N 1 1 338.368 0.086 20 5 ECBDMO Cn1cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(=O)n(C)c1=O ZINC000283103888 264084090 /nfs/dbraw/zinc/08/40/90/264084090.db2.gz TWGZBBWDPXOFRZ-UHFFFAOYSA-N 1 1 332.360 0.667 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000283987355 264176990 /nfs/dbraw/zinc/17/69/90/264176990.db2.gz MXACXMDVSXNBDN-GFCCVEGCSA-N 1 1 336.392 0.969 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000283987355 264176992 /nfs/dbraw/zinc/17/69/92/264176992.db2.gz MXACXMDVSXNBDN-GFCCVEGCSA-N 1 1 336.392 0.969 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285442194 264313704 /nfs/dbraw/zinc/31/37/04/264313704.db2.gz FUPHLUJVJAOJKY-CHWSQXEVSA-N 1 1 339.348 0.624 20 5 ECBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286240014 264382612 /nfs/dbraw/zinc/38/26/12/264382612.db2.gz ZNCITSBGPABWKV-DOMZBBRYSA-N 1 1 348.403 0.989 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405306 276205488 /nfs/dbraw/zinc/20/54/88/276205488.db2.gz LKXOIFVOQWIEGY-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000174405306 276205489 /nfs/dbraw/zinc/20/54/89/276205489.db2.gz LKXOIFVOQWIEGY-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@H]21 ZINC000371702652 277178067 /nfs/dbraw/zinc/17/80/67/277178067.db2.gz ZCBQZXSVQDCCMG-GXFFZTMASA-N 1 1 340.405 0.773 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000375048374 277178384 /nfs/dbraw/zinc/17/83/84/277178384.db2.gz HXXFGTPKUYDGRI-IINYFYTJSA-N 1 1 340.405 0.773 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000494705593 277289909 /nfs/dbraw/zinc/28/99/09/277289909.db2.gz XNJXVJUUFSZRFJ-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000494705593 277289910 /nfs/dbraw/zinc/28/99/10/277289910.db2.gz XNJXVJUUFSZRFJ-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340223174 437610964 /nfs/dbraw/zinc/61/09/64/437610964.db2.gz VNTPCGYCGDQNSM-GFCCVEGCSA-N 1 1 336.348 0.752 20 5 ECBDMO NC(=O)c1ccc(SCC(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000262700415 295218734 /nfs/dbraw/zinc/21/87/34/295218734.db2.gz KHCPQJHRMOQRAG-UHFFFAOYSA-N 1 1 348.331 0.496 20 5 ECBDMO O=C(CC[NH+]1CCN(C(=O)CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000348288473 298581581 /nfs/dbraw/zinc/58/15/81/298581581.db2.gz ONRHUBSTLXNLOC-UHFFFAOYSA-N 1 1 336.348 0.060 20 5 ECBDMO COc1cc(C[NH2+]C[C@@H]2CCCS2(=O)=O)c([N+](=O)[O-])cc1O ZINC000360274888 299963635 /nfs/dbraw/zinc/96/36/35/299963635.db2.gz NIWMKMDWRRRWCE-JTQLQIEISA-N 1 1 330.362 0.976 20 5 ECBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300739 300259301 /nfs/dbraw/zinc/25/93/01/300259301.db2.gz YGQHATLZWDWHFL-OSRDXIQISA-N 1 1 325.409 0.999 20 5 ECBDMO C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300739 300259303 /nfs/dbraw/zinc/25/93/03/300259303.db2.gz YGQHATLZWDWHFL-OSRDXIQISA-N 1 1 325.409 0.999 20 5 ECBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000363300739 300259306 /nfs/dbraw/zinc/25/93/06/300259306.db2.gz YGQHATLZWDWHFL-OSRDXIQISA-N 1 1 325.409 0.999 20 5 ECBDMO Cn1cc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(=O)n(C)c1=O ZINC000093443792 436489066 /nfs/dbraw/zinc/48/90/66/436489066.db2.gz RCPZMWHNQVJJMR-UHFFFAOYSA-N 1 1 330.344 0.551 20 5 ECBDMO Cn1cc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)c(=O)n(C)c1=O ZINC000093443792 436489068 /nfs/dbraw/zinc/48/90/68/436489068.db2.gz RCPZMWHNQVJJMR-UHFFFAOYSA-N 1 1 330.344 0.551 20 5 ECBDMO O=C1CCC(=O)N1CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000051855710 436498777 /nfs/dbraw/zinc/49/87/77/436498777.db2.gz XQRHQKOGAVWBKW-UHFFFAOYSA-N 1 1 332.360 0.866 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000109066961 436622274 /nfs/dbraw/zinc/62/22/74/436622274.db2.gz IBARJHGTMFRYMX-AOOOYVTPSA-N 1 1 329.378 0.974 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000057553413 436613651 /nfs/dbraw/zinc/61/36/51/436613651.db2.gz CLIOQINIPPIBOE-LBPRGKRZSA-N 1 1 332.360 0.678 20 5 ECBDMO C[NH+]1CCN(CCCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000540923590 302180080 /nfs/dbraw/zinc/18/00/80/302180080.db2.gz UEMKFCJHJLHNKV-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000272451317 436714747 /nfs/dbraw/zinc/71/47/47/436714747.db2.gz NMWNQVQSNCIIMS-LBPRGKRZSA-N 1 1 335.408 0.790 20 5 ECBDMO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(-c2nc[nH]n2)no1 ZINC000120812043 436699915 /nfs/dbraw/zinc/69/99/15/436699915.db2.gz SERSJQCFUYSZRT-JTQLQIEISA-N 1 1 347.339 0.946 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000272368826 436712787 /nfs/dbraw/zinc/71/27/87/436712787.db2.gz TYLYRHGKYQGALT-NSHDSACASA-N 1 1 337.332 0.774 20 5 ECBDMO C[N@@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000067701381 436721016 /nfs/dbraw/zinc/72/10/16/436721016.db2.gz JWXWNWQUVAWQOL-UHFFFAOYSA-N 1 1 330.348 1.000 20 5 ECBDMO COCCO[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245816860 436767475 /nfs/dbraw/zinc/76/74/75/436767475.db2.gz DEUWSVRUYWQKJY-KGLIPLIRSA-N 1 1 328.369 0.280 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+]1CCN(C)CC1 ZINC000133346489 436876336 /nfs/dbraw/zinc/87/63/36/436876336.db2.gz VIYAMBFBUJCTHT-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000280259317 436876626 /nfs/dbraw/zinc/87/66/26/436876626.db2.gz OIZNIZQUIJBDFU-UHFFFAOYSA-N 1 1 332.360 0.703 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261704087 436883287 /nfs/dbraw/zinc/88/32/87/436883287.db2.gz JZCCJCJKKYIZSB-CQSZACIVSA-N 1 1 343.343 0.325 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000275386723 436963687 /nfs/dbraw/zinc/96/36/87/436963687.db2.gz AHVMWUDTIFJVRY-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO O=C(C[N@H+](CCO)C1CCOCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000275485540 436974977 /nfs/dbraw/zinc/97/49/77/436974977.db2.gz FFERRZAWSRBMMG-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295624117 436975578 /nfs/dbraw/zinc/97/55/78/436975578.db2.gz YXBUJUXVUJVOQT-ZDUSSCGKSA-N 1 1 337.376 0.937 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[N@H+]1CCCOCC1 ZINC000275797871 437014867 /nfs/dbraw/zinc/01/48/67/437014867.db2.gz HWHGCWQEFIJFEI-UHFFFAOYSA-N 1 1 341.339 0.951 20 5 ECBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000264558898 437045017 /nfs/dbraw/zinc/04/50/17/437045017.db2.gz QHCLGOXPEPLZAI-CQSZACIVSA-N 1 1 334.376 0.973 20 5 ECBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173578499 437058028 /nfs/dbraw/zinc/05/80/28/437058028.db2.gz BYOLTKYUVCLIGX-UONOGXRCSA-N 1 1 339.396 0.485 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000284705971 437063699 /nfs/dbraw/zinc/06/36/99/437063699.db2.gz KFFCVLKULJEUAJ-GHMZBOCLSA-N 1 1 337.380 0.986 20 5 ECBDMO CNS(=O)(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264745917 437076550 /nfs/dbraw/zinc/07/65/50/437076550.db2.gz TUCYFILOOKJKFE-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO NC(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000175204077 437096660 /nfs/dbraw/zinc/09/66/60/437096660.db2.gz MCSQZSXVCFMDKG-TZMCWYRMSA-N 1 1 337.376 0.922 20 5 ECBDMO C[C@@](O)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000176490745 437146156 /nfs/dbraw/zinc/14/61/56/437146156.db2.gz IFGHOJKDMBEDRE-MRXNPFEDSA-N 1 1 337.376 0.337 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331555259 437117452 /nfs/dbraw/zinc/11/74/52/437117452.db2.gz ZGGRHZQCXANQGB-UHFFFAOYSA-N 1 1 339.396 0.707 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276512882 437118117 /nfs/dbraw/zinc/11/81/17/437118117.db2.gz KZHZZCSDVJTZRO-UHFFFAOYSA-N 1 1 349.391 0.459 20 5 ECBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000319351851 437201781 /nfs/dbraw/zinc/20/17/81/437201781.db2.gz UAOBRHTXUKHUDP-SECBINFHSA-N 1 1 349.796 0.823 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267937150 437345254 /nfs/dbraw/zinc/34/52/54/437345254.db2.gz GTDFRWLAUDJFHV-NSHDSACASA-N 1 1 337.380 0.675 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)N1 ZINC000278999524 437363266 /nfs/dbraw/zinc/36/32/66/437363266.db2.gz CMKCNOOMYNSRNZ-OAHLLOKOSA-N 1 1 345.315 0.910 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)N1 ZINC000278999524 437363273 /nfs/dbraw/zinc/36/32/73/437363273.db2.gz CMKCNOOMYNSRNZ-OAHLLOKOSA-N 1 1 345.315 0.910 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH2+][C@H](C(N)=O)C1 ZINC000279506618 437419287 /nfs/dbraw/zinc/41/92/87/437419287.db2.gz OHQMRCQFNXPIIM-JTQLQIEISA-N 1 1 342.739 0.298 20 5 ECBDMO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000186814149 437485036 /nfs/dbraw/zinc/48/50/36/437485036.db2.gz RZSVZUVOBQTFIJ-NSHDSACASA-N 1 1 336.392 0.975 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000290530650 437498351 /nfs/dbraw/zinc/49/83/51/437498351.db2.gz CNDCCEKAVDVKBG-UHFFFAOYSA-N 1 1 338.408 0.973 20 5 ECBDMO CN(CCCNC(=O)COc1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000290530650 437498358 /nfs/dbraw/zinc/49/83/58/437498358.db2.gz CNDCCEKAVDVKBG-UHFFFAOYSA-N 1 1 338.408 0.973 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187393389 437501296 /nfs/dbraw/zinc/50/12/96/437501296.db2.gz JELINYMERWYLSD-ZLDLUXBVSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000187393389 437501300 /nfs/dbraw/zinc/50/13/00/437501300.db2.gz JELINYMERWYLSD-ZLDLUXBVSA-N 1 1 337.376 0.920 20 5 ECBDMO CN(C)CC[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290453372 437488625 /nfs/dbraw/zinc/48/86/25/437488625.db2.gz DMBNPSAQTUKJIQ-UHFFFAOYSA-N 1 1 336.396 0.527 20 5 ECBDMO NC(=O)c1ccnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000291104199 437559774 /nfs/dbraw/zinc/55/97/74/437559774.db2.gz KURVKFNKHYZADS-GFCCVEGCSA-N 1 1 349.391 0.637 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291790499 437627866 /nfs/dbraw/zinc/62/78/66/437627866.db2.gz MRMVRTLSROKOLY-SJORKVTESA-N 1 1 346.387 0.788 20 5 ECBDMO CCOC(=O)CC(C)(C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000343883239 437680845 /nfs/dbraw/zinc/68/08/45/437680845.db2.gz AACIZCVXXFINGU-LBPRGKRZSA-N 1 1 328.369 0.816 20 5 ECBDMO CNC(=O)CC[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343904671 437691168 /nfs/dbraw/zinc/69/11/68/437691168.db2.gz HXEHHBCFWLJBCE-UHFFFAOYSA-N 1 1 336.348 0.961 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000344055520 437724648 /nfs/dbraw/zinc/72/46/48/437724648.db2.gz LIMXTMHGYJOKRD-VXGBXAGGSA-N 1 1 338.412 0.895 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000344055501 437725126 /nfs/dbraw/zinc/72/51/26/437725126.db2.gz LIMXTMHGYJOKRD-NEPJUHHUSA-N 1 1 338.412 0.895 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356645993 437805469 /nfs/dbraw/zinc/80/54/69/437805469.db2.gz NOBWLBZNONGHHY-UHFFFAOYSA-N 1 1 338.412 0.528 20 5 ECBDMO CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cnc1N)CC[NH+](C)C ZINC000356645993 437805477 /nfs/dbraw/zinc/80/54/77/437805477.db2.gz NOBWLBZNONGHHY-UHFFFAOYSA-N 1 1 338.412 0.528 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768336 437968522 /nfs/dbraw/zinc/96/85/22/437968522.db2.gz GWAOVNOVPVFHOM-NEPJUHHUSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768336 437968528 /nfs/dbraw/zinc/96/85/28/437968528.db2.gz GWAOVNOVPVFHOM-NEPJUHHUSA-N 1 1 336.348 0.679 20 5 ECBDMO COc1ccc(OCC[N@@H+]2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000357389607 437975210 /nfs/dbraw/zinc/97/52/10/437975210.db2.gz LBOIZCZLJORRER-LLVKDONJSA-N 1 1 345.377 0.345 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000357389607 437975214 /nfs/dbraw/zinc/97/52/14/437975214.db2.gz LBOIZCZLJORRER-LLVKDONJSA-N 1 1 345.377 0.345 20 5 ECBDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000371993414 438021727 /nfs/dbraw/zinc/02/17/27/438021727.db2.gz QWNYCRKVRIFMOK-LLVKDONJSA-N 1 1 349.351 0.507 20 5 ECBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284261 438042149 /nfs/dbraw/zinc/04/21/49/438042149.db2.gz PNCYVKHDNWJIPU-HOCLYGCPSA-N 1 1 337.424 0.816 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000366353248 438059360 /nfs/dbraw/zinc/05/93/60/438059360.db2.gz DCAHYTBSCAHHEE-FPCVCCKLSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000366353248 438059365 /nfs/dbraw/zinc/05/93/65/438059365.db2.gz DCAHYTBSCAHHEE-FPCVCCKLSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000366353248 438059370 /nfs/dbraw/zinc/05/93/70/438059370.db2.gz DCAHYTBSCAHHEE-FPCVCCKLSA-N 1 1 333.388 0.651 20 5 ECBDMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358044380 438128814 /nfs/dbraw/zinc/12/88/14/438128814.db2.gz ICYWBBDTMZFOBV-HNNXBMFYSA-N 1 1 339.348 0.408 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358202306 438180769 /nfs/dbraw/zinc/18/07/69/438180769.db2.gz RIYMDEUBBPFNLX-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000358200913 438181033 /nfs/dbraw/zinc/18/10/33/438181033.db2.gz PCAMNHAQVTVVAN-LBPRGKRZSA-N 1 1 333.341 0.079 20 5 ECBDMO O=c1[nH]c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714638 438240297 /nfs/dbraw/zinc/24/02/97/438240297.db2.gz DBOYNLZKGZREHX-RYUDHWBXSA-N 1 1 345.359 1.519 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368053996 438280937 /nfs/dbraw/zinc/28/09/37/438280937.db2.gz JHVODNSXTHBOSY-SUNKGSAMSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368053996 438280942 /nfs/dbraw/zinc/28/09/42/438280942.db2.gz JHVODNSXTHBOSY-SUNKGSAMSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000368637198 438356469 /nfs/dbraw/zinc/35/64/69/438356469.db2.gz JSQNXOHGHRRVCD-OUAUKWLOSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000368637198 438356472 /nfs/dbraw/zinc/35/64/72/438356472.db2.gz JSQNXOHGHRRVCD-OUAUKWLOSA-N 1 1 346.343 0.516 20 5 ECBDMO CCn1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000407989878 438478926 /nfs/dbraw/zinc/47/89/26/438478926.db2.gz IUJSAUQWOOIGRN-WDEREUQCSA-N 1 1 343.409 0.668 20 5 ECBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000420970013 438454240 /nfs/dbraw/zinc/45/42/40/438454240.db2.gz DPXDYJJBBDRNNE-LBPRGKRZSA-N 1 1 329.378 0.594 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000420970013 438454246 /nfs/dbraw/zinc/45/42/46/438454246.db2.gz DPXDYJJBBDRNNE-LBPRGKRZSA-N 1 1 329.378 0.594 20 5 ECBDMO CC(C)[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978944 438456940 /nfs/dbraw/zinc/45/69/40/438456940.db2.gz XXYPWSUSRXQNKX-AWEZNQCLSA-N 1 1 345.421 0.822 20 5 ECBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)CN1CC[NH+](C)CC1 ZINC000359799733 438498891 /nfs/dbraw/zinc/49/88/91/438498891.db2.gz SVUDHMPVLVRDOW-NSHDSACASA-N 1 1 336.396 0.185 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000408144518 438523405 /nfs/dbraw/zinc/52/34/05/438523405.db2.gz AGLPSFPVYNUPKR-WDEREUQCSA-N 1 1 343.409 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000408144518 438523407 /nfs/dbraw/zinc/52/34/07/438523407.db2.gz AGLPSFPVYNUPKR-WDEREUQCSA-N 1 1 343.409 0.526 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000575239415 438742975 /nfs/dbraw/zinc/74/29/75/438742975.db2.gz YBESIQCPPBYPBQ-OUCADQQQSA-N 1 1 326.349 0.010 20 5 ECBDMO O=C1NCC[C@]12CCC[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811686 438756347 /nfs/dbraw/zinc/75/63/47/438756347.db2.gz CMBCCZCYGGRPAV-CZUORRHYSA-N 1 1 335.360 0.689 20 5 ECBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456222954 438765228 /nfs/dbraw/zinc/76/52/28/438765228.db2.gz JDMKAEHRAWDHJW-PHIMTYICSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000456222954 438765230 /nfs/dbraw/zinc/76/52/30/438765230.db2.gz JDMKAEHRAWDHJW-PHIMTYICSA-N 1 1 337.380 0.559 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595663456 438842874 /nfs/dbraw/zinc/84/28/74/438842874.db2.gz OFPMUFGMTAAGPQ-TVYUQYBPSA-N 1 1 337.332 0.842 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458566929 438898450 /nfs/dbraw/zinc/89/84/50/438898450.db2.gz CKRLGSJPGJUUKB-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458566929 438898453 /nfs/dbraw/zinc/89/84/53/438898453.db2.gz CKRLGSJPGJUUKB-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO CCOc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)nn1 ZINC000595893061 438879479 /nfs/dbraw/zinc/87/94/79/438879479.db2.gz VRLRDBQEFFQMTC-UHFFFAOYSA-N 1 1 347.379 0.802 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589925730 438890476 /nfs/dbraw/zinc/89/04/76/438890476.db2.gz PDBIMKJJFWZXAE-JQWIXIFHSA-N 1 1 341.389 0.928 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC000596078159 438922361 /nfs/dbraw/zinc/92/23/61/438922361.db2.gz MLVZZFCYNFJSIC-UHFFFAOYSA-N 1 1 349.391 0.686 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590776651 438957986 /nfs/dbraw/zinc/95/79/86/438957986.db2.gz SBKKKJNUIPBOEE-HIFRSBDPSA-N 1 1 346.387 0.877 20 5 ECBDMO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000591765961 439082292 /nfs/dbraw/zinc/08/22/92/439082292.db2.gz WALPZOAADHWGAH-CYBMUJFWSA-N 1 1 341.389 0.579 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000580403759 439085814 /nfs/dbraw/zinc/08/58/14/439085814.db2.gz NXMNJQXZNHGMDQ-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000580403759 439085817 /nfs/dbraw/zinc/08/58/17/439085817.db2.gz NXMNJQXZNHGMDQ-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000597680053 439158296 /nfs/dbraw/zinc/15/82/96/439158296.db2.gz UZMCUNUIDZKBPT-LLVKDONJSA-N 1 1 349.391 0.897 20 5 ECBDMO CN1CCN(C(=O)C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000602989601 439178119 /nfs/dbraw/zinc/17/81/19/439178119.db2.gz VXNUDAVYNZTHPY-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO CN1CCN(C(=O)C[N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000602989601 439178125 /nfs/dbraw/zinc/17/81/25/439178125.db2.gz VXNUDAVYNZTHPY-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH+](C)CC1 ZINC000602989601 439178130 /nfs/dbraw/zinc/17/81/30/439178130.db2.gz VXNUDAVYNZTHPY-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)c1 ZINC000592430259 439227298 /nfs/dbraw/zinc/22/72/98/439227298.db2.gz RNENHQVSTGHSHT-CABCVRRESA-N 1 1 339.392 0.381 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340975 439208639 /nfs/dbraw/zinc/20/86/39/439208639.db2.gz IKJYONRJPQVOSS-BXUZGUMPSA-N 1 1 337.380 0.985 20 5 ECBDMO CCC[N@H+]1CC[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342875 439253732 /nfs/dbraw/zinc/25/37/32/439253732.db2.gz OKGGXHATWYRHMQ-CYBMUJFWSA-N 1 1 334.376 0.925 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@H]2C)c1[N+](=O)[O-] ZINC000592872984 439293644 /nfs/dbraw/zinc/29/36/44/439293644.db2.gz NVOZKKXZVDDNQG-SECBINFHSA-N 1 1 338.368 0.072 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(C)cc1[N+](=O)[O-] ZINC000599109071 439360285 /nfs/dbraw/zinc/36/02/85/439360285.db2.gz ZMRTVKSNTVKFNB-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO CC(C)c1nnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000569686578 439354896 /nfs/dbraw/zinc/35/48/96/439354896.db2.gz RLHJVYYOBJNBQP-JTQLQIEISA-N 1 1 326.382 0.917 20 5 ECBDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)n1C ZINC000593545144 439400346 /nfs/dbraw/zinc/40/03/46/439400346.db2.gz QIHVMYROLGCRNA-UHFFFAOYSA-N 1 1 340.365 0.268 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227776 439437664 /nfs/dbraw/zinc/43/76/64/439437664.db2.gz ZNNKILRZIPLLHV-SMDDNHRTSA-N 1 1 326.349 0.657 20 5 ECBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000599442778 439470534 /nfs/dbraw/zinc/47/05/34/439470534.db2.gz AWCOTSUMRRZQII-CQSZACIVSA-N 1 1 349.347 0.466 20 5 ECBDMO [NH3+]CC(F)(F)CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593906136 439492043 /nfs/dbraw/zinc/49/20/43/439492043.db2.gz ROOLJZQPPJKRIW-VIFPVBQESA-N 1 1 329.307 0.987 20 5 ECBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594217467 439528252 /nfs/dbraw/zinc/52/82/52/439528252.db2.gz XQNAZADRAFJYHA-LSDHHAIUSA-N 1 1 334.376 0.598 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761360 439604202 /nfs/dbraw/zinc/60/42/02/439604202.db2.gz XIINUXWWRYCGQO-QWRGUYRKSA-N 1 1 328.394 0.951 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263980 439607170 /nfs/dbraw/zinc/60/71/70/439607170.db2.gz ADZKOSYTUFABPW-LLVKDONJSA-N 1 1 328.394 0.952 20 5 ECBDMO CC[N@@H+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1C ZINC000611084776 439671775 /nfs/dbraw/zinc/67/17/75/439671775.db2.gz SGNRBUHGTRHSMY-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@@H]1C ZINC000611084776 439671777 /nfs/dbraw/zinc/67/17/77/439671777.db2.gz SGNRBUHGTRHSMY-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c(N2CCCC2)[nH+]1 ZINC000611582212 439709124 /nfs/dbraw/zinc/70/91/24/439709124.db2.gz IOFRZPOJJSKUNF-UHFFFAOYSA-N 1 1 345.363 0.806 20 5 ECBDMO C[NH+]1CCN(CC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000615872663 439808069 /nfs/dbraw/zinc/80/80/69/439808069.db2.gz XBUOCRSDVCWKPG-UHFFFAOYSA-N 1 1 334.376 0.432 20 5 ECBDMO CS(=O)(=O)NCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000340218173 321023736 /nfs/dbraw/zinc/02/37/36/321023736.db2.gz QEYJKSJWTAAZDW-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)NCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000340218173 321023737 /nfs/dbraw/zinc/02/37/37/321023737.db2.gz QEYJKSJWTAAZDW-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639297 321284141 /nfs/dbraw/zinc/28/41/41/321284141.db2.gz CVEVWSLSUMIKFL-OLZOCXBDSA-N 1 1 340.332 0.338 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2COC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348639297 321284142 /nfs/dbraw/zinc/28/41/42/321284142.db2.gz CVEVWSLSUMIKFL-OLZOCXBDSA-N 1 1 340.332 0.338 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000349785802 321314744 /nfs/dbraw/zinc/31/47/44/321314744.db2.gz VDHVPIKRRZWUGF-JTQLQIEISA-N 1 1 333.414 0.818 20 5 ECBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H]1COC[C@H]1O ZINC000352799839 321372884 /nfs/dbraw/zinc/37/28/84/321372884.db2.gz MYPRFESLRQIYEH-QWHCGFSZSA-N 1 1 337.332 0.584 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000531986310 322049786 /nfs/dbraw/zinc/04/97/86/322049786.db2.gz XTYBQPGZFCCDQI-CYBMUJFWSA-N 1 1 349.391 0.312 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000578349498 322861952 /nfs/dbraw/zinc/86/19/52/322861952.db2.gz CKWSRBGDFPQSCM-AWEZNQCLSA-N 1 1 343.343 0.325 20 5 ECBDMO CCNC(=O)C[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181518375 528080986 /nfs/dbraw/zinc/08/09/86/528080986.db2.gz FIEZMXLPHWBLHV-GFCCVEGCSA-N 1 1 325.365 0.793 20 5 ECBDMO CCNC(=O)C[N@@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181518375 528080992 /nfs/dbraw/zinc/08/09/92/528080992.db2.gz FIEZMXLPHWBLHV-GFCCVEGCSA-N 1 1 325.365 0.793 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264899236 535716824 /nfs/dbraw/zinc/71/68/24/535716824.db2.gz LCAZYYNKXXMBQN-LLVKDONJSA-N 1 1 338.412 0.630 20 5 ECBDMO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000619253682 546311452 /nfs/dbraw/zinc/31/14/52/546311452.db2.gz BZTWLCNZIKBFAL-MRXNPFEDSA-N 1 1 347.375 1.000 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000619478287 546331767 /nfs/dbraw/zinc/33/17/67/546331767.db2.gz XCBZXUSIYHDDTR-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000619478287 546331770 /nfs/dbraw/zinc/33/17/70/546331770.db2.gz XCBZXUSIYHDDTR-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000729925960 578300813 /nfs/dbraw/zinc/30/08/13/578300813.db2.gz BBLGTMQCYJWVEQ-GFCCVEGCSA-N 1 1 347.375 0.470 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000780864804 578701766 /nfs/dbraw/zinc/70/17/66/578701766.db2.gz AVXZUXBWUONVLJ-SNVBAGLBSA-N 1 1 331.398 0.574 20 5 ECBDMO C[N@H+](CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSC1 ZINC000767117997 579101596 /nfs/dbraw/zinc/10/15/96/579101596.db2.gz VNOCCXYMZFTCNX-GFCCVEGCSA-N 1 1 341.389 0.737 20 5 ECBDMO C[N@@H+](CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCSC1 ZINC000767117997 579101597 /nfs/dbraw/zinc/10/15/97/579101597.db2.gz VNOCCXYMZFTCNX-GFCCVEGCSA-N 1 1 341.389 0.737 20 5 ECBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000776585701 579284954 /nfs/dbraw/zinc/28/49/54/579284954.db2.gz ZIWWOGACJXBAAR-SMDDNHRTSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CCS(=O)(=O)C1 ZINC000776585701 579284955 /nfs/dbraw/zinc/28/49/55/579284955.db2.gz ZIWWOGACJXBAAR-SMDDNHRTSA-N 1 1 328.390 0.995 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591390 579285232 /nfs/dbraw/zinc/28/52/32/579285232.db2.gz OSLHENSOTUTSLG-QWHCGFSZSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591390 579285234 /nfs/dbraw/zinc/28/52/34/579285234.db2.gz OSLHENSOTUTSLG-QWHCGFSZSA-N 1 1 329.378 0.252 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591929 579285440 /nfs/dbraw/zinc/28/54/40/579285440.db2.gz LKKQDBCLNPZYKE-ZIAGYGMSSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591929 579285441 /nfs/dbraw/zinc/28/54/41/579285441.db2.gz LKKQDBCLNPZYKE-ZIAGYGMSSA-N 1 1 348.359 0.597 20 5 ECBDMO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895770774 586204074 /nfs/dbraw/zinc/20/40/74/586204074.db2.gz QZYNXYATMHIIPN-SNVBAGLBSA-N 1 1 328.394 0.961 20 5 ECBDMO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895770774 586204075 /nfs/dbraw/zinc/20/40/75/586204075.db2.gz QZYNXYATMHIIPN-SNVBAGLBSA-N 1 1 328.394 0.961 20 5 ECBDMO COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896546601 586251661 /nfs/dbraw/zinc/25/16/61/586251661.db2.gz YHXBXQMPRJGOLI-AAEUAGOBSA-N 1 1 336.392 0.968 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1CN(C)CCN1C ZINC000896568999 586255292 /nfs/dbraw/zinc/25/52/92/586255292.db2.gz QYZZTXHPPOOONS-YPMHNXCESA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896568999 586255295 /nfs/dbraw/zinc/25/52/95/586255295.db2.gz QYZZTXHPPOOONS-YPMHNXCESA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896568999 586255296 /nfs/dbraw/zinc/25/52/96/586255296.db2.gz QYZZTXHPPOOONS-YPMHNXCESA-N 1 1 338.412 0.240 20 5 ECBDMO CN1CC[N@@H+](C)CC(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000907654110 586748372 /nfs/dbraw/zinc/74/83/72/586748372.db2.gz QMLXPJHGHFNYNM-UHFFFAOYSA-N 1 1 348.403 0.678 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082069 587115502 /nfs/dbraw/zinc/11/55/02/587115502.db2.gz YUAUQDJJANUFLD-BZNIZROVSA-N 1 1 348.359 0.687 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082069 587115503 /nfs/dbraw/zinc/11/55/03/587115503.db2.gz YUAUQDJJANUFLD-BZNIZROVSA-N 1 1 348.359 0.687 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824707785 587889308 /nfs/dbraw/zinc/88/93/08/587889308.db2.gz VZTGPAZXNGNZCM-GHMZBOCLSA-N 1 1 347.379 0.666 20 5 ECBDMO C[C@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000826121933 587993966 /nfs/dbraw/zinc/99/39/66/587993966.db2.gz VASKBWRTEWBLQB-DOMZBBRYSA-N 1 1 337.376 0.713 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848588034 589301165 /nfs/dbraw/zinc/30/11/65/589301165.db2.gz NFQOVIGHQHCYIB-CYBMUJFWSA-N 1 1 345.302 0.749 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848588524 589301250 /nfs/dbraw/zinc/30/12/50/589301250.db2.gz VGFONKQFFNBJDV-UHFFFAOYSA-N 1 1 347.318 0.997 20 5 ECBDMO O=C1OC[C@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12 ZINC000860164087 589750045 /nfs/dbraw/zinc/75/00/45/589750045.db2.gz FXRUANZDHIBLNE-HONMWMINSA-N 1 1 331.328 0.805 20 5 ECBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665772 590139890 /nfs/dbraw/zinc/13/98/90/590139890.db2.gz SRPXEZMROPAWIW-NEPJUHHUSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665772 590139892 /nfs/dbraw/zinc/13/98/92/590139892.db2.gz SRPXEZMROPAWIW-NEPJUHHUSA-N 1 1 326.378 0.847 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879939837 590353071 /nfs/dbraw/zinc/35/30/71/590353071.db2.gz IDAHXSLSISNBBS-RYUDHWBXSA-N 1 1 328.394 0.466 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879939837 590353074 /nfs/dbraw/zinc/35/30/74/590353074.db2.gz IDAHXSLSISNBBS-RYUDHWBXSA-N 1 1 328.394 0.466 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000935446191 611371418 /nfs/dbraw/zinc/37/14/18/611371418.db2.gz LZEDIYURWUALBY-LBPRGKRZSA-N 1 1 338.412 0.242 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406049 611537432 /nfs/dbraw/zinc/53/74/32/611537432.db2.gz MHEUNSMFQWZIPE-STQMWFEESA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406049 611537434 /nfs/dbraw/zinc/53/74/34/611537434.db2.gz MHEUNSMFQWZIPE-STQMWFEESA-N 1 1 336.392 0.839 20 5 ECBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933730570 608769793 /nfs/dbraw/zinc/76/97/93/608769793.db2.gz QDCAVGVDZVFTDH-TXEJJXNPSA-N 1 1 326.374 0.950 20 5 ECBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1 ZINC000933730570 608769797 /nfs/dbraw/zinc/76/97/97/608769797.db2.gz QDCAVGVDZVFTDH-TXEJJXNPSA-N 1 1 326.374 0.950 20 5 ECBDMO CN(C(=O)CC1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000954269088 612812590 /nfs/dbraw/zinc/81/25/90/612812590.db2.gz JWLJTBLFTUNCCC-ZIAGYGMSSA-N 1 1 338.408 0.053 20 5 ECBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC001164667415 719410859 /nfs/dbraw/zinc/41/08/59/719410859.db2.gz FQXUTYLXQWQKAK-STQMWFEESA-N 1 1 336.348 0.686 20 5 ECBDMO CS(=O)(=O)c1ccc(NC(=N)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167883188 751565778 /nfs/dbraw/zinc/56/57/78/751565778.db2.gz BZJMARLWSSLVEW-UHFFFAOYSA-N 1 1 329.382 0.673 20 5 ECBDMO COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC000983649740 744993554 /nfs/dbraw/zinc/99/35/54/744993554.db2.gz QWHOFWYXNHNKJS-AAVRWANBSA-N 1 1 334.376 0.740 20 5 ECBDMO Cn1c(Cl)cnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983655246 745003576 /nfs/dbraw/zinc/00/35/76/745003576.db2.gz RLFJVCXTTNQGRG-GWOFURMSSA-N 1 1 341.799 0.723 20 5 ECBDMO COc1ncccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983655813 745003795 /nfs/dbraw/zinc/00/37/95/745003795.db2.gz VZHRUTRALQGUTL-FMKGYKFTSA-N 1 1 334.376 0.740 20 5 ECBDMO CCn1cc(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001000672894 745686864 /nfs/dbraw/zinc/68/68/64/745686864.db2.gz AYSPQSJTJFFNFO-HZPDHXFCSA-N 1 1 347.419 0.859 20 5 ECBDMO CCn1cc(CC[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001000672894 745686868 /nfs/dbraw/zinc/68/68/68/745686868.db2.gz AYSPQSJTJFFNFO-HZPDHXFCSA-N 1 1 347.419 0.859 20 5 ECBDMO CCn1cc(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001000672894 745686872 /nfs/dbraw/zinc/68/68/72/745686872.db2.gz AYSPQSJTJFFNFO-HZPDHXFCSA-N 1 1 347.419 0.859 20 5 ECBDMO Cc1nc(C)n(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001000676253 745689513 /nfs/dbraw/zinc/68/95/13/745689513.db2.gz ZSYADSZOYFZJDP-HUUCEWRRSA-N 1 1 348.407 0.308 20 5 ECBDMO Cc1nc(C)n(CC[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000676253 745689516 /nfs/dbraw/zinc/68/95/16/745689516.db2.gz ZSYADSZOYFZJDP-HUUCEWRRSA-N 1 1 348.407 0.308 20 5 ECBDMO Cc1nc(C)n(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000676253 745689520 /nfs/dbraw/zinc/68/95/20/745689520.db2.gz ZSYADSZOYFZJDP-HUUCEWRRSA-N 1 1 348.407 0.308 20 5 ECBDMO Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525009 760661933 /nfs/dbraw/zinc/66/19/33/760661933.db2.gz FVWLIVRJFIOVJI-STGWMILLSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1nccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525009 760661936 /nfs/dbraw/zinc/66/19/36/760661936.db2.gz FVWLIVRJFIOVJI-STGWMILLSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1nccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC001048525009 760661940 /nfs/dbraw/zinc/66/19/40/760661940.db2.gz FVWLIVRJFIOVJI-STGWMILLSA-N 1 1 347.419 0.945 20 5 ECBDMO O=C(NCC1C[NH+](Cc2cccc3c2CCOC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031662299 766380387 /nfs/dbraw/zinc/38/03/87/766380387.db2.gz AOGIRDVMQKYSOV-IAGOWNOFSA-N 1 1 345.399 0.973 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001055823496 769857292 /nfs/dbraw/zinc/85/72/92/769857292.db2.gz MLHFJMXAEOSOHT-UHFFFAOYSA-N 1 1 348.338 0.983 20 5 ECBDMO Cn1oc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)cc1=O ZINC001031636538 771560260 /nfs/dbraw/zinc/56/02/60/771560260.db2.gz DSSBUQWTVGARMU-UHFFFAOYSA-N 1 1 346.343 0.748 20 5 ECBDMO Cn1cc(CC[NH+]2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001045437196 775609939 /nfs/dbraw/zinc/60/99/39/775609939.db2.gz IBTWRFAFOPCCFB-ZIAGYGMSSA-N 1 1 335.408 0.599 20 5 ECBDMO C[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001267184443 836936753 /nfs/dbraw/zinc/93/67/53/836936753.db2.gz DJLBUWLMYOSINQ-UHFFFAOYSA-N 1 1 331.332 0.952 20 5 ECBDMO C[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001267184443 836936762 /nfs/dbraw/zinc/93/67/62/836936762.db2.gz DJLBUWLMYOSINQ-UHFFFAOYSA-N 1 1 331.332 0.952 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCN(CC)CC2)n1 ZINC000427519839 210205910 /nfs/dbraw/zinc/20/59/10/210205910.db2.gz TUBZCKWMPJCJGT-UHFFFAOYSA-N 1 1 338.412 0.569 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000186967079 236081646 /nfs/dbraw/zinc/08/16/46/236081646.db2.gz YNWLLLFDGAPJPQ-GFCCVEGCSA-N 1 1 339.396 0.485 20 5 ECBDMO COc1cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000080846825 217337590 /nfs/dbraw/zinc/33/75/90/217337590.db2.gz TZXXTASHIQOEKD-ZDUSSCGKSA-N 1 1 336.348 0.998 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](OCCO)C2)c1 ZINC000265198742 247289988 /nfs/dbraw/zinc/28/99/88/247289988.db2.gz JAIXLQPZFBWUMI-GOEBONIOSA-N 1 1 340.376 0.808 20 5 ECBDMO CCn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])n1 ZINC000445557486 211118605 /nfs/dbraw/zinc/11/86/05/211118605.db2.gz LAFZEJQEOTYIGY-AOOOYVTPSA-N 1 1 329.382 0.326 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cc[nH]n1 ZINC000116922615 221011336 /nfs/dbraw/zinc/01/13/36/221011336.db2.gz FNSDWXVBIWFTGT-UHFFFAOYSA-N 1 1 325.350 0.386 20 5 ECBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619098 263192198 /nfs/dbraw/zinc/19/21/98/263192198.db2.gz MKQURWITCMCNMI-CHWSQXEVSA-N 1 1 336.392 0.993 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272551848 263352132 /nfs/dbraw/zinc/35/21/32/263352132.db2.gz ZBOZBWBZTGPBOE-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO COCC[NH+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273478684 263409798 /nfs/dbraw/zinc/40/97/98/263409798.db2.gz MBECSDLJGSSHRM-UHFFFAOYSA-N 1 1 344.393 0.011 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCO)C2CCOCC2)c1 ZINC000275640046 263627945 /nfs/dbraw/zinc/62/79/45/263627945.db2.gz WGCQCSDTYWZSLK-HNNXBMFYSA-N 1 1 340.376 0.808 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000283366186 264109973 /nfs/dbraw/zinc/10/99/73/264109973.db2.gz CFTSZTUYRCRRMM-LBPRGKRZSA-N 1 1 349.391 0.637 20 5 ECBDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285156427 264285178 /nfs/dbraw/zinc/28/51/78/264285178.db2.gz SXQNGHAWJXCJAE-UONOGXRCSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285156427 264285181 /nfs/dbraw/zinc/28/51/81/264285181.db2.gz SXQNGHAWJXCJAE-UONOGXRCSA-N 1 1 341.389 0.688 20 5 ECBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413986 264395907 /nfs/dbraw/zinc/39/59/07/264395907.db2.gz KEQBWNXFXZPFHK-TZMCWYRMSA-N 1 1 339.396 0.533 20 5 ECBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296954457 265126925 /nfs/dbraw/zinc/12/69/25/265126925.db2.gz XZXBAAYHCURKNH-NSHDSACASA-N 1 1 343.384 0.609 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H](C)O1 ZINC000298297550 265235479 /nfs/dbraw/zinc/23/54/79/265235479.db2.gz FNUUKLMWMGCEAZ-PHIMTYICSA-N 1 1 338.364 0.925 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000299233957 265353991 /nfs/dbraw/zinc/35/39/91/265353991.db2.gz RDBXIWCFEHVFPA-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000299233957 265353994 /nfs/dbraw/zinc/35/39/94/265353994.db2.gz RDBXIWCFEHVFPA-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO NC(=O)[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000268456178 274937325 /nfs/dbraw/zinc/93/73/25/274937325.db2.gz CKGRAPMTJZEVCM-ZETCQYMHSA-N 1 1 330.142 0.016 20 5 ECBDMO C[C@@H](O)CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189355523 437594140 /nfs/dbraw/zinc/59/41/40/437594140.db2.gz QIOVVBFXLFLDTH-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000338790256 288262474 /nfs/dbraw/zinc/26/24/74/288262474.db2.gz XOZAFLOHEPVLCS-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CCOCCO ZINC000337423963 297187331 /nfs/dbraw/zinc/18/73/31/297187331.db2.gz CIZCGSXRJGTLBS-UHFFFAOYSA-N 1 1 339.348 0.834 20 5 ECBDMO CC(C)(C(=O)NCCC[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000338765705 297294300 /nfs/dbraw/zinc/29/43/00/297294300.db2.gz GLCLSZQCKBHKCK-UHFFFAOYSA-N 1 1 325.369 0.365 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000346769050 298339021 /nfs/dbraw/zinc/33/90/21/298339021.db2.gz OKJQDEQRTRQOQC-TVQRCGJNSA-N 1 1 333.352 0.123 20 5 ECBDMO CNC(=O)c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362217534 300172324 /nfs/dbraw/zinc/17/23/24/300172324.db2.gz IJBLWSFAFGKQCN-ZDUSSCGKSA-N 1 1 334.376 0.865 20 5 ECBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831002 300225273 /nfs/dbraw/zinc/22/52/73/300225273.db2.gz OANPJLXIHLSRNH-CQSZACIVSA-N 1 1 348.403 0.870 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000363658183 300283968 /nfs/dbraw/zinc/28/39/68/300283968.db2.gz MUYHHHLYEUKFRO-UHFFFAOYSA-N 1 1 339.396 0.752 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000364865956 300395743 /nfs/dbraw/zinc/39/57/43/300395743.db2.gz UXUHSJNGXDXFGY-INIZCTEOSA-N 1 1 332.360 0.770 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@]2(CNC(=O)C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000364865956 300395746 /nfs/dbraw/zinc/39/57/46/300395746.db2.gz UXUHSJNGXDXFGY-INIZCTEOSA-N 1 1 332.360 0.770 20 5 ECBDMO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1C1CCN(C)CC1 ZINC000374597450 301115789 /nfs/dbraw/zinc/11/57/89/301115789.db2.gz UVOCJADSJDLLQB-ZDUSSCGKSA-N 1 1 336.440 0.929 20 5 ECBDMO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@H+]1C1CCN(C)CC1 ZINC000374597450 301115791 /nfs/dbraw/zinc/11/57/91/301115791.db2.gz UVOCJADSJDLLQB-ZDUSSCGKSA-N 1 1 336.440 0.929 20 5 ECBDMO NC(=O)C[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000376112454 301235707 /nfs/dbraw/zinc/23/57/07/301235707.db2.gz HUYFJMSIGCRHQR-UHFFFAOYSA-N 1 1 336.377 0.597 20 5 ECBDMO NC(=O)C[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000376112454 301235709 /nfs/dbraw/zinc/23/57/09/301235709.db2.gz HUYFJMSIGCRHQR-UHFFFAOYSA-N 1 1 336.377 0.597 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203920 436260887 /nfs/dbraw/zinc/26/08/87/436260887.db2.gz CQSODDPGRUBRCS-NWANDNLSSA-N 1 1 346.387 0.699 20 5 ECBDMO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000089344412 436409176 /nfs/dbraw/zinc/40/91/76/436409176.db2.gz LDCBTKQAGHENRF-ZIAGYGMSSA-N 1 1 325.409 0.927 20 5 ECBDMO CCCC[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000048048105 436438355 /nfs/dbraw/zinc/43/83/55/436438355.db2.gz FHEXBCZXYNEXBV-CYBMUJFWSA-N 1 1 325.365 0.922 20 5 ECBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000054223555 436547847 /nfs/dbraw/zinc/54/78/47/436547847.db2.gz GJQZBLXROKXBQM-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO NS(=O)(=O)c1ccc(N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000057857776 436617141 /nfs/dbraw/zinc/61/71/41/436617141.db2.gz MZEBPCPTJNBRNH-UHFFFAOYSA-N 1 1 340.405 0.917 20 5 ECBDMO C[NH+]1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000530909562 302035329 /nfs/dbraw/zinc/03/53/29/302035329.db2.gz CUZSERUXCAHCCH-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114486296 436641910 /nfs/dbraw/zinc/64/19/10/436641910.db2.gz WLGJEEVDTZIHJA-OAHLLOKOSA-N 1 1 334.376 0.310 20 5 ECBDMO CC[NH+]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067245348 436708506 /nfs/dbraw/zinc/70/85/06/436708506.db2.gz FIIBSLDVZMYUSI-UHFFFAOYSA-N 1 1 330.348 0.953 20 5 ECBDMO CC(C)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272885889 436726596 /nfs/dbraw/zinc/72/65/96/436726596.db2.gz IGMHROSVKGPTQI-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000245430098 436762204 /nfs/dbraw/zinc/76/22/04/436762204.db2.gz AALKURWAIQRETG-AAEUAGOBSA-N 1 1 346.409 0.051 20 5 ECBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000125125677 436763912 /nfs/dbraw/zinc/76/39/12/436763912.db2.gz DAQIDYBYCOLVQT-TZMCWYRMSA-N 1 1 334.376 0.747 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000248657251 436807107 /nfs/dbraw/zinc/80/71/07/436807107.db2.gz FHFLQCLCRPUAMQ-MNOVXSKESA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1 ZINC000248657251 436807109 /nfs/dbraw/zinc/80/71/09/436807109.db2.gz FHFLQCLCRPUAMQ-MNOVXSKESA-N 1 1 325.369 0.338 20 5 ECBDMO C[C@H](CO)[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000248916631 436813363 /nfs/dbraw/zinc/81/33/63/436813363.db2.gz JXKDLUGQYMYYOG-NEPJUHHUSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@H](CO)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](C)O ZINC000248916631 436813365 /nfs/dbraw/zinc/81/33/65/436813365.db2.gz JXKDLUGQYMYYOG-NEPJUHHUSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000069534309 436779980 /nfs/dbraw/zinc/77/99/80/436779980.db2.gz ZODNRNFWEDKITM-LLVKDONJSA-N 1 1 334.376 0.924 20 5 ECBDMO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(=O)(=O)CC ZINC000247698838 436796852 /nfs/dbraw/zinc/79/68/52/436796852.db2.gz XGSZLCVGIJHRJD-YPMHNXCESA-N 1 1 348.425 0.297 20 5 ECBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(=O)(=O)CC ZINC000247698838 436796854 /nfs/dbraw/zinc/79/68/54/436796854.db2.gz XGSZLCVGIJHRJD-YPMHNXCESA-N 1 1 348.425 0.297 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000155681992 436800820 /nfs/dbraw/zinc/80/08/20/436800820.db2.gz WTHRZJBIMWJTAM-CYBMUJFWSA-N 1 1 329.378 0.597 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000155681992 436800823 /nfs/dbraw/zinc/80/08/23/436800823.db2.gz WTHRZJBIMWJTAM-CYBMUJFWSA-N 1 1 329.378 0.597 20 5 ECBDMO O=C([C@H]1COCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909611 436881803 /nfs/dbraw/zinc/88/18/03/436881803.db2.gz HNVSFFUIGDUYKV-OAHLLOKOSA-N 1 1 335.360 0.953 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000261739674 436885503 /nfs/dbraw/zinc/88/55/03/436885503.db2.gz NRHFQVMGYCPDPF-AWEZNQCLSA-N 1 1 345.359 0.880 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280512712 436900127 /nfs/dbraw/zinc/90/01/27/436900127.db2.gz DFFCNSYQXGFZPX-HNNXBMFYSA-N 1 1 336.348 0.739 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@](C)(C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000280512712 436900131 /nfs/dbraw/zinc/90/01/31/436900131.db2.gz DFFCNSYQXGFZPX-HNNXBMFYSA-N 1 1 336.348 0.739 20 5 ECBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000275387883 436962955 /nfs/dbraw/zinc/96/29/55/436962955.db2.gz CAEYYMBLXAURGT-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000275387883 436962956 /nfs/dbraw/zinc/96/29/56/436962956.db2.gz CAEYYMBLXAURGT-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000275484888 436974855 /nfs/dbraw/zinc/97/48/55/436974855.db2.gz VBXYQBZVNWDQMF-SNVBAGLBSA-N 1 1 337.332 0.462 20 5 ECBDMO C[NH+]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000264654129 437059214 /nfs/dbraw/zinc/05/92/14/437059214.db2.gz TUVNOFJCBRAYPE-UHFFFAOYSA-N 1 1 340.767 0.752 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299278007 437065811 /nfs/dbraw/zinc/06/58/11/437065811.db2.gz LILMWDCOFSXCSK-CQSZACIVSA-N 1 1 334.376 0.925 20 5 ECBDMO C[C@](O)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000176490757 437147278 /nfs/dbraw/zinc/14/72/78/437147278.db2.gz IFGHOJKDMBEDRE-INIZCTEOSA-N 1 1 337.376 0.337 20 5 ECBDMO CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266931697 437267372 /nfs/dbraw/zinc/26/73/72/437267372.db2.gz SUXUXTFSJCASOB-NSHDSACASA-N 1 1 331.398 0.053 20 5 ECBDMO CN1CCN(C(=O)CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332449486 437224441 /nfs/dbraw/zinc/22/44/41/437224441.db2.gz DZWHLFTZXHYIAL-UHFFFAOYSA-N 1 1 333.392 0.512 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000179399138 437262113 /nfs/dbraw/zinc/26/21/13/437262113.db2.gz CVQLMNUYPSDJBF-LLVKDONJSA-N 1 1 325.369 0.165 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000288648873 437342515 /nfs/dbraw/zinc/34/25/15/437342515.db2.gz QIEHOVPCDHPTTJ-UHFFFAOYSA-N 1 1 344.437 0.757 20 5 ECBDMO CN(CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000288648873 437342517 /nfs/dbraw/zinc/34/25/17/437342517.db2.gz QIEHOVPCDHPTTJ-UHFFFAOYSA-N 1 1 344.437 0.757 20 5 ECBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000279035679 437366055 /nfs/dbraw/zinc/36/60/55/437366055.db2.gz BBAMTMAIPYVDFB-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000279035679 437366061 /nfs/dbraw/zinc/36/60/61/437366061.db2.gz BBAMTMAIPYVDFB-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268167069 437377720 /nfs/dbraw/zinc/37/77/20/437377720.db2.gz RQEMAUJFIAEGLX-LBPRGKRZSA-N 1 1 338.339 0.804 20 5 ECBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000279325904 437395372 /nfs/dbraw/zinc/39/53/72/437395372.db2.gz OXJXHMVACPXPHU-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000279325904 437395374 /nfs/dbraw/zinc/39/53/74/437395374.db2.gz OXJXHMVACPXPHU-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO COc1cc(C[NH2+]CCS(=O)(=O)N(C)C)c([N+](=O)[O-])cc1OC ZINC000289696871 437435883 /nfs/dbraw/zinc/43/58/83/437435883.db2.gz SUBFFFGNGACBCY-UHFFFAOYSA-N 1 1 347.393 0.593 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339047899 437437255 /nfs/dbraw/zinc/43/72/55/437437255.db2.gz HMSRPOTYSHELKJ-SNVBAGLBSA-N 1 1 343.409 0.574 20 5 ECBDMO Cc1nn(C)c(C(=O)N(C)CCC[N@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290540375 437499171 /nfs/dbraw/zinc/49/91/71/437499171.db2.gz DEGHUNJVUPYERM-UHFFFAOYSA-N 1 1 340.428 0.592 20 5 ECBDMO Cc1nn(C)c(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290540375 437499176 /nfs/dbraw/zinc/49/91/76/437499176.db2.gz DEGHUNJVUPYERM-UHFFFAOYSA-N 1 1 340.428 0.592 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330450017 437515834 /nfs/dbraw/zinc/51/58/34/437515834.db2.gz IEXIFQCSUKXMLL-NSHDSACASA-N 1 1 345.425 0.964 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330450017 437515837 /nfs/dbraw/zinc/51/58/37/437515837.db2.gz IEXIFQCSUKXMLL-NSHDSACASA-N 1 1 345.425 0.964 20 5 ECBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000360312936 437581778 /nfs/dbraw/zinc/58/17/78/437581778.db2.gz ZZNLOIJLNVVBMF-GXTWGEPZSA-N 1 1 344.375 0.823 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330834259 437627477 /nfs/dbraw/zinc/62/74/77/437627477.db2.gz ZSLKTWOJFGTMAA-GFCCVEGCSA-N 1 1 334.376 0.796 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000330834259 437627483 /nfs/dbraw/zinc/62/74/83/437627483.db2.gz ZSLKTWOJFGTMAA-GFCCVEGCSA-N 1 1 334.376 0.796 20 5 ECBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C1CCN(C)CC1 ZINC000343711074 437633224 /nfs/dbraw/zinc/63/32/24/437633224.db2.gz MCLZNTLWLROXJZ-AWEZNQCLSA-N 1 1 336.440 0.892 20 5 ECBDMO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C1CC[NH+](C)CC1 ZINC000343711074 437633230 /nfs/dbraw/zinc/63/32/30/437633230.db2.gz MCLZNTLWLROXJZ-AWEZNQCLSA-N 1 1 336.440 0.892 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000331142689 437696725 /nfs/dbraw/zinc/69/67/25/437696725.db2.gz XQSDWLTVYTXECK-JTQLQIEISA-N 1 1 343.330 0.941 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000331142689 437696730 /nfs/dbraw/zinc/69/67/30/437696730.db2.gz XQSDWLTVYTXECK-JTQLQIEISA-N 1 1 343.330 0.941 20 5 ECBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000331164700 437703794 /nfs/dbraw/zinc/70/37/94/437703794.db2.gz DNMALANLZCUKBJ-NSHDSACASA-N 1 1 325.369 0.340 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000331260830 437729317 /nfs/dbraw/zinc/72/93/17/437729317.db2.gz BKXCOGITODCVJP-WDEREUQCSA-N 1 1 338.286 0.541 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416460940 437937614 /nfs/dbraw/zinc/93/76/14/437937614.db2.gz XPQUYXYLNBLEMU-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357312277 437961390 /nfs/dbraw/zinc/96/13/90/437961390.db2.gz IMMRSBJJOUJFPR-NSHDSACASA-N 1 1 337.380 0.857 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000372013693 438021197 /nfs/dbraw/zinc/02/11/97/438021197.db2.gz PHIBRUDNRVKAGU-AWEZNQCLSA-N 1 1 333.392 0.842 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)n1 ZINC000357943329 438104781 /nfs/dbraw/zinc/10/47/81/438104781.db2.gz KZPGRFVHQPPOON-LLVKDONJSA-N 1 1 325.369 0.295 20 5 ECBDMO CN1CC[NH+](C[C@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367623965 438230078 /nfs/dbraw/zinc/23/00/78/438230078.db2.gz SGQFMROMHPJTCE-HNNXBMFYSA-N 1 1 336.440 0.751 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000433869143 438267116 /nfs/dbraw/zinc/26/71/16/438267116.db2.gz PYUNUPYXIGXBTJ-UHFFFAOYSA-N 1 1 338.412 0.809 20 5 ECBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000351499577 438273155 /nfs/dbraw/zinc/27/31/55/438273155.db2.gz DSOCNSQJLBUXDP-GFCCVEGCSA-N 1 1 336.323 0.979 20 5 ECBDMO COC(=O)c1cn([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000368851551 438392441 /nfs/dbraw/zinc/39/24/41/438392441.db2.gz AEFHVOKCAIYTPK-JTQLQIEISA-N 1 1 335.324 0.116 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368639156 438358073 /nfs/dbraw/zinc/35/80/73/438358073.db2.gz SJXFVPUQESQMCF-NEPJUHHUSA-N 1 1 349.343 0.577 20 5 ECBDMO C[C@H](O)C[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000351936857 438360392 /nfs/dbraw/zinc/36/03/92/438360392.db2.gz MQVDHEPUDSJMAU-NSHDSACASA-N 1 1 339.348 0.568 20 5 ECBDMO NC(=O)c1nn(C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000352436482 438422593 /nfs/dbraw/zinc/42/25/93/438422593.db2.gz GYKFNQHQDBXSCF-CYBMUJFWSA-N 1 1 345.359 0.309 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)c([N+](=O)[O-])cc12 ZINC000405276567 438468308 /nfs/dbraw/zinc/46/83/08/438468308.db2.gz RUSNYSANWKQTNP-VHSXEESVSA-N 1 1 331.332 0.499 20 5 ECBDMO CC[C@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420975417 438456558 /nfs/dbraw/zinc/45/65/58/438456558.db2.gz QTLAJXLQYVNCTA-LBPRGKRZSA-N 1 1 331.394 0.576 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC2)CCO1 ZINC000359817275 438502304 /nfs/dbraw/zinc/50/23/04/438502304.db2.gz XVUGSGGEPNYBKH-LLVKDONJSA-N 1 1 349.391 0.897 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359843008 438507960 /nfs/dbraw/zinc/50/79/60/438507960.db2.gz QUHGKEVWKAZEDB-ZFWWWQNUSA-N 1 1 326.349 0.418 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3ccncn3)C2)c1 ZINC000369783908 438513509 /nfs/dbraw/zinc/51/35/09/438513509.db2.gz XICGMQUCTBXBRP-GXTWGEPZSA-N 1 1 332.364 0.822 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000408144514 438523959 /nfs/dbraw/zinc/52/39/59/438523959.db2.gz AGLPSFPVYNUPKR-MNOVXSKESA-N 1 1 343.409 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000408144514 438523962 /nfs/dbraw/zinc/52/39/62/438523962.db2.gz AGLPSFPVYNUPKR-MNOVXSKESA-N 1 1 343.409 0.526 20 5 ECBDMO C[C@@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC000408202675 438533344 /nfs/dbraw/zinc/53/33/44/438533344.db2.gz NLLAMTAEMZJGQZ-LBPRGKRZSA-N 1 1 333.392 0.510 20 5 ECBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451936043 438616807 /nfs/dbraw/zinc/61/68/07/438616807.db2.gz JTNLAQYTALNAMZ-UKRRQHHQSA-N 1 1 335.360 0.877 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000443341607 438652911 /nfs/dbraw/zinc/65/29/11/438652911.db2.gz CUOIHOVIUSFXAZ-RYUDHWBXSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000443341607 438652917 /nfs/dbraw/zinc/65/29/17/438652917.db2.gz CUOIHOVIUSFXAZ-RYUDHWBXSA-N 1 1 325.365 0.905 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451637215 438702579 /nfs/dbraw/zinc/70/25/79/438702579.db2.gz WLXRXBBFPIEVDJ-KPXOXKRLSA-N 1 1 332.316 0.126 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451637215 438702580 /nfs/dbraw/zinc/70/25/80/438702580.db2.gz WLXRXBBFPIEVDJ-KPXOXKRLSA-N 1 1 332.316 0.126 20 5 ECBDMO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000451656172 438705020 /nfs/dbraw/zinc/70/50/20/438705020.db2.gz UZDJSVHPYIDJTN-TXEJJXNPSA-N 1 1 336.392 0.581 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)[N@@H+](C)C1 ZINC000457119955 438794954 /nfs/dbraw/zinc/79/49/54/438794954.db2.gz JTMLXWPBAILZHC-JSGCOSHPSA-N 1 1 349.391 0.358 20 5 ECBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@@H+]1CCO ZINC000588023488 438813334 /nfs/dbraw/zinc/81/33/34/438813334.db2.gz JHJLYMBXKJTKRP-LLVKDONJSA-N 1 1 349.391 0.288 20 5 ECBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC[N@H+]1CCO ZINC000588023488 438813337 /nfs/dbraw/zinc/81/33/37/438813337.db2.gz JHJLYMBXKJTKRP-LLVKDONJSA-N 1 1 349.391 0.288 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC1 ZINC000601113143 438821329 /nfs/dbraw/zinc/82/13/29/438821329.db2.gz DDSXENQZFHWYLL-QMMMGPOBSA-N 1 1 337.302 0.850 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304634 438829611 /nfs/dbraw/zinc/82/96/11/438829611.db2.gz LRMANPRAUQTUGH-GWCFXTLKSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304634 438829613 /nfs/dbraw/zinc/82/96/13/438829613.db2.gz LRMANPRAUQTUGH-GWCFXTLKSA-N 1 1 346.343 0.424 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000588861336 438846134 /nfs/dbraw/zinc/84/61/34/438846134.db2.gz QZHGKAYQFNVHSC-RYUDHWBXSA-N 1 1 335.360 0.885 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000515234723 438857299 /nfs/dbraw/zinc/85/72/99/438857299.db2.gz NBPTVHJDWASMRM-ZDUSSCGKSA-N 1 1 330.348 0.668 20 5 ECBDMO CN(C)S(=O)(=O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000589328662 438868035 /nfs/dbraw/zinc/86/80/35/438868035.db2.gz BZBQUXYSXJKZMF-UHFFFAOYSA-N 1 1 345.377 0.347 20 5 ECBDMO NC(=O)c1ccnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000589556586 438875417 /nfs/dbraw/zinc/87/54/17/438875417.db2.gz TUNWUXXWCQRMFR-LLVKDONJSA-N 1 1 335.364 0.390 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000590444203 438925517 /nfs/dbraw/zinc/92/55/17/438925517.db2.gz MCTOYAOKWDYNCG-ZFWWWQNUSA-N 1 1 346.387 0.796 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000590571441 438933900 /nfs/dbraw/zinc/93/39/00/438933900.db2.gz GGDHRAJNCNQTQV-UHFFFAOYSA-N 1 1 348.407 0.562 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596620296 438981542 /nfs/dbraw/zinc/98/15/42/438981542.db2.gz CXNNLFLSYNMTNX-YPMHNXCESA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596620296 438981547 /nfs/dbraw/zinc/98/15/47/438981547.db2.gz CXNNLFLSYNMTNX-YPMHNXCESA-N 1 1 336.348 0.152 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597573833 439130206 /nfs/dbraw/zinc/13/02/06/439130206.db2.gz JKFPROMVVYJBEW-AWEZNQCLSA-N 1 1 325.369 0.409 20 5 ECBDMO CNc1nccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000597577882 439130816 /nfs/dbraw/zinc/13/08/16/439130816.db2.gz HMRZLDBZARVJNW-VXGBXAGGSA-N 1 1 337.355 1.290 20 5 ECBDMO CNC(=O)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000567517258 439150204 /nfs/dbraw/zinc/15/02/04/439150204.db2.gz WRSGRSWMASXUFQ-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@H]1CO ZINC000602906157 439158510 /nfs/dbraw/zinc/15/85/10/439158510.db2.gz QIOKHOWIWKPJLN-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1CO ZINC000602906157 439158515 /nfs/dbraw/zinc/15/85/15/439158515.db2.gz QIOKHOWIWKPJLN-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1CO ZINC000602906157 439158521 /nfs/dbraw/zinc/15/85/21/439158521.db2.gz QIOKHOWIWKPJLN-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO COC(=O)[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198505 439177642 /nfs/dbraw/zinc/17/76/42/439177642.db2.gz QZMMNAFBCDDZHB-NEPJUHHUSA-N 1 1 337.332 0.050 20 5 ECBDMO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198505 439177645 /nfs/dbraw/zinc/17/76/45/439177645.db2.gz QZMMNAFBCDDZHB-NEPJUHHUSA-N 1 1 337.332 0.050 20 5 ECBDMO CCC[N@H+]1CC[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000598342876 439253502 /nfs/dbraw/zinc/25/35/02/439253502.db2.gz OKGGXHATWYRHMQ-ZDUSSCGKSA-N 1 1 334.376 0.925 20 5 ECBDMO O=[N+]([O-])c1cnccc1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603421753 439259830 /nfs/dbraw/zinc/25/98/30/439259830.db2.gz BRRKYEAYOZQZCR-AWEZNQCLSA-N 1 1 335.408 0.620 20 5 ECBDMO Nc1nccc(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451215 439264573 /nfs/dbraw/zinc/26/45/73/439264573.db2.gz QZLSHIIJPUNJHK-NSHDSACASA-N 1 1 335.364 0.243 20 5 ECBDMO COC(=O)c1ccnc(N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000598621808 439290311 /nfs/dbraw/zinc/29/03/11/439290311.db2.gz NDZNHNQNMWTAPX-UHFFFAOYSA-N 1 1 332.320 0.826 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000599129773 439364928 /nfs/dbraw/zinc/36/49/28/439364928.db2.gz FXMQQOXRZHWFIP-JTQLQIEISA-N 1 1 327.772 0.817 20 5 ECBDMO COC(=O)c1ccnc(N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000599097009 439354600 /nfs/dbraw/zinc/35/46/00/439354600.db2.gz AJUHMFOHXMYOLM-UHFFFAOYSA-N 1 1 349.391 0.460 20 5 ECBDMO NC(=O)c1coc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582602188 439356237 /nfs/dbraw/zinc/35/62/37/439356237.db2.gz OJTVJUWFVWFOSC-LBPRGKRZSA-N 1 1 335.316 0.816 20 5 ECBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000593611887 439422771 /nfs/dbraw/zinc/42/27/71/439422771.db2.gz WSVPXPCUVFNJRK-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593876576 439483924 /nfs/dbraw/zinc/48/39/24/439483924.db2.gz TWHZPQGKCIEMTI-UHFFFAOYSA-N 1 1 338.364 0.878 20 5 ECBDMO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000599531249 439499258 /nfs/dbraw/zinc/49/92/58/439499258.db2.gz OITRQILFSMILTI-STQMWFEESA-N 1 1 335.360 0.017 20 5 ECBDMO COc1ccc(CC(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000609259036 439559761 /nfs/dbraw/zinc/55/97/61/439559761.db2.gz GEQUXRXQLPAHDC-GFCCVEGCSA-N 1 1 337.376 0.671 20 5 ECBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592232 439579587 /nfs/dbraw/zinc/57/95/87/439579587.db2.gz OJOJHBFSWRHADD-SDDRHHMPSA-N 1 1 334.380 1.547 20 5 ECBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592232 439579590 /nfs/dbraw/zinc/57/95/90/439579590.db2.gz OJOJHBFSWRHADD-SDDRHHMPSA-N 1 1 334.380 1.547 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)c([N+](=O)[O-])c1 ZINC000584389250 439582520 /nfs/dbraw/zinc/58/25/20/439582520.db2.gz GCIBNUBUWVVDHL-UHFFFAOYSA-N 1 1 346.347 0.828 20 5 ECBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000610126016 439599833 /nfs/dbraw/zinc/59/98/33/439599833.db2.gz KJFAMWLWPUQXRM-AWEZNQCLSA-N 1 1 346.387 0.831 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000610614621 439631300 /nfs/dbraw/zinc/63/13/00/439631300.db2.gz GNWIUCPBUFRAMA-PHIMTYICSA-N 1 1 339.348 0.360 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000600532918 439674598 /nfs/dbraw/zinc/67/45/98/439674598.db2.gz PBXYLMZMPWMNMH-CYBMUJFWSA-N 1 1 337.376 0.855 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595422295 439726089 /nfs/dbraw/zinc/72/60/89/439726089.db2.gz LCLLEQGXHATGKG-JTQLQIEISA-N 1 1 326.353 0.960 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000595422295 439726091 /nfs/dbraw/zinc/72/60/91/439726091.db2.gz LCLLEQGXHATGKG-JTQLQIEISA-N 1 1 326.353 0.960 20 5 ECBDMO CC1(C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000614895458 439789947 /nfs/dbraw/zinc/78/99/47/439789947.db2.gz UQUYGTBALPPXRI-UHFFFAOYSA-N 1 1 325.369 0.097 20 5 ECBDMO CC(C)(C(=O)NCC[N@@H+]1CCCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000615145590 439795227 /nfs/dbraw/zinc/79/52/27/439795227.db2.gz GWKISIVVGFPCMN-UHFFFAOYSA-N 1 1 325.369 0.365 20 5 ECBDMO CC(C)(C(=O)NCC[N@H+]1CCCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000615145590 439795228 /nfs/dbraw/zinc/79/52/28/439795228.db2.gz GWKISIVVGFPCMN-UHFFFAOYSA-N 1 1 325.369 0.365 20 5 ECBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879879 439808099 /nfs/dbraw/zinc/80/80/99/439808099.db2.gz NALTVYXMQIPEKR-MRXNPFEDSA-N 1 1 346.387 0.574 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000618923389 440179405 /nfs/dbraw/zinc/17/94/05/440179405.db2.gz ICBXKTZTGWXXKV-OAHLLOKOSA-N 1 1 339.396 0.799 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000343044904 321119065 /nfs/dbraw/zinc/11/90/65/321119065.db2.gz ZTFCSMWZNNGDQV-CQSZACIVSA-N 1 1 344.375 0.967 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000344732861 321162022 /nfs/dbraw/zinc/16/20/22/321162022.db2.gz SIRUYWVGNJMQPO-CYBMUJFWSA-N 1 1 337.424 0.937 20 5 ECBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534284425 322074652 /nfs/dbraw/zinc/07/46/52/322074652.db2.gz CNTSXNXAVLRADS-INIZCTEOSA-N 1 1 330.388 0.869 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000189682251 534081017 /nfs/dbraw/zinc/08/10/17/534081017.db2.gz ICVISWHZYXWCMZ-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@@H](C)O ZINC000174616561 529271216 /nfs/dbraw/zinc/27/12/16/529271216.db2.gz UZCAAWCSOZELPC-YPMHNXCESA-N 1 1 339.396 0.403 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000728078120 578287298 /nfs/dbraw/zinc/28/72/98/578287298.db2.gz TYDVDPJECQNHRD-GFCCVEGCSA-N 1 1 349.391 0.494 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000773535626 579229008 /nfs/dbraw/zinc/22/90/08/579229008.db2.gz VFYWSZZYCNALBH-CQSZACIVSA-N 1 1 347.419 0.781 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591928 579285262 /nfs/dbraw/zinc/28/52/62/579285262.db2.gz LKKQDBCLNPZYKE-UONOGXRCSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591928 579285264 /nfs/dbraw/zinc/28/52/64/579285264.db2.gz LKKQDBCLNPZYKE-UONOGXRCSA-N 1 1 348.359 0.597 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000762721828 579546964 /nfs/dbraw/zinc/54/69/64/579546964.db2.gz OMCIZOUHVHNASG-CYBMUJFWSA-N 1 1 337.361 0.396 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888997346 586058994 /nfs/dbraw/zinc/05/89/94/586058994.db2.gz AFEQSUOVNTYHOH-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888997346 586058995 /nfs/dbraw/zinc/05/89/95/586058995.db2.gz AFEQSUOVNTYHOH-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000894957725 586420838 /nfs/dbraw/zinc/42/08/38/586420838.db2.gz IQUTUNSPIRZPJE-UHFFFAOYSA-N 1 1 327.772 0.853 20 5 ECBDMO COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000839761565 586890651 /nfs/dbraw/zinc/89/06/51/586890651.db2.gz IVRMPVCKMZDJCN-ZIAGYGMSSA-N 1 1 329.397 0.237 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CC[N@H+](CCF)C1 ZINC000802239414 587014368 /nfs/dbraw/zinc/01/43/68/587014368.db2.gz VHARFTYBCYJLGD-ZDUSSCGKSA-N 1 1 339.323 0.912 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)O[C@H]1CC[N@@H+](CCF)C1 ZINC000802239414 587014371 /nfs/dbraw/zinc/01/43/71/587014371.db2.gz VHARFTYBCYJLGD-ZDUSSCGKSA-N 1 1 339.323 0.912 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H](O)C1CC1 ZINC000817289171 587338034 /nfs/dbraw/zinc/33/80/34/587338034.db2.gz UECXIXKBOLLGLP-AWEZNQCLSA-N 1 1 343.405 0.576 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000817370350 587339989 /nfs/dbraw/zinc/33/99/89/587339989.db2.gz JRTQOEUMCDJFRY-GFCCVEGCSA-N 1 1 330.348 0.879 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nn2)c1 ZINC000819144946 587469889 /nfs/dbraw/zinc/46/98/89/587469889.db2.gz BZUQZYJSVPEMOY-OAHLLOKOSA-N 1 1 343.347 0.523 20 5 ECBDMO CN(C)c1cc(F)c(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505807 588185366 /nfs/dbraw/zinc/18/53/66/588185366.db2.gz XPEQLODIFKTQRD-HNNXBMFYSA-N 1 1 340.355 0.596 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000829911343 588348087 /nfs/dbraw/zinc/34/80/87/588348087.db2.gz VXGMQTBVNHITQC-XUJVJEKNSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000829911343 588348089 /nfs/dbraw/zinc/34/80/89/588348089.db2.gz VXGMQTBVNHITQC-XUJVJEKNSA-N 1 1 337.376 0.542 20 5 ECBDMO Cn1cnnc1N1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000847036894 589233579 /nfs/dbraw/zinc/23/35/79/589233579.db2.gz LZVXOARYQVMFGA-AWEZNQCLSA-N 1 1 332.364 0.579 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848588035 589301176 /nfs/dbraw/zinc/30/11/76/589301176.db2.gz NFQOVIGHQHCYIB-ZDUSSCGKSA-N 1 1 345.302 0.749 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854353876 589581170 /nfs/dbraw/zinc/58/11/70/589581170.db2.gz ILERFSBXGVLXKK-CABCVRRESA-N 1 1 334.376 0.134 20 5 ECBDMO Nc1ccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000856255666 589658112 /nfs/dbraw/zinc/65/81/12/589658112.db2.gz PVOYGIZMGAFGJP-CYBMUJFWSA-N 1 1 334.376 0.848 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC[C@H]21 ZINC000866206330 589729010 /nfs/dbraw/zinc/72/90/10/589729010.db2.gz CTCJJPNQWNXADQ-QWHCGFSZSA-N 1 1 348.407 0.752 20 5 ECBDMO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859450107 589838823 /nfs/dbraw/zinc/83/88/23/589838823.db2.gz NATBDBXXEAZCGH-UWVGGRQHSA-N 1 1 343.767 0.719 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811222 589846642 /nfs/dbraw/zinc/84/66/42/589846642.db2.gz AWUNUWBYCYMTFB-QWRGUYRKSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811069 589846811 /nfs/dbraw/zinc/84/68/11/589846811.db2.gz NLIPJQICVYOOFZ-MNOVXSKESA-N 1 1 326.378 0.705 20 5 ECBDMO C[C@H](c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1)N1CC[NH2+]CC1=O ZINC000863658595 590029171 /nfs/dbraw/zinc/02/91/71/590029171.db2.gz RGDKABMHYPBXIH-MRVPVSSYSA-N 1 1 332.320 0.720 20 5 ECBDMO CN(C)c1cc(F)c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863833089 590042680 /nfs/dbraw/zinc/04/26/80/590042680.db2.gz IQKAQTYTOAAZDM-JTQLQIEISA-N 1 1 340.355 0.596 20 5 ECBDMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)nn1 ZINC000946589407 611356377 /nfs/dbraw/zinc/35/63/77/611356377.db2.gz XRSFJKFUOQUMEP-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)nn1 ZINC000946589407 611356378 /nfs/dbraw/zinc/35/63/78/611356378.db2.gz XRSFJKFUOQUMEP-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)nn1 ZINC000946589407 611356379 /nfs/dbraw/zinc/35/63/79/611356379.db2.gz XRSFJKFUOQUMEP-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000919988186 609668988 /nfs/dbraw/zinc/66/89/88/609668988.db2.gz CGMQQYDZGNUZNX-BXUZGUMPSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000919988186 609668990 /nfs/dbraw/zinc/66/89/90/609668990.db2.gz CGMQQYDZGNUZNX-BXUZGUMPSA-N 1 1 342.421 0.507 20 5 ECBDMO CCOc1ccc(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912610178 609978297 /nfs/dbraw/zinc/97/82/97/609978297.db2.gz GGFDDMGBRJVHEZ-UHFFFAOYSA-N 1 1 325.365 0.990 20 5 ECBDMO O=C(NCCC[NH+]1CCCCC1)C1CCN(CC[N+](=O)[O-])CC1 ZINC000930072314 610041979 /nfs/dbraw/zinc/04/19/79/610041979.db2.gz RFKYMYIPDLLBSQ-UHFFFAOYSA-N 1 1 326.441 0.967 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC001167680454 737711460 /nfs/dbraw/zinc/71/14/60/737711460.db2.gz FVUHQVQJPKPJDH-HNNXBMFYSA-N 1 1 349.387 0.629 20 5 ECBDMO Cc1ncsc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775896 739945168 /nfs/dbraw/zinc/94/51/68/739945168.db2.gz PFOHXXBHTAVLBU-DIACKHNESA-N 1 1 336.417 0.706 20 5 ECBDMO Cc1ncsc1CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775896 739945172 /nfs/dbraw/zinc/94/51/72/739945172.db2.gz PFOHXXBHTAVLBU-DIACKHNESA-N 1 1 336.417 0.706 20 5 ECBDMO Cc1ncsc1CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775896 739945174 /nfs/dbraw/zinc/94/51/74/739945174.db2.gz PFOHXXBHTAVLBU-DIACKHNESA-N 1 1 336.417 0.706 20 5 ECBDMO Cn1cnnc1CN1C[C@]2(C)CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@]2(C)C1 ZINC000982279029 751850763 /nfs/dbraw/zinc/85/07/63/751850763.db2.gz YXBJTYRVLAAOMK-BHTHQVBYSA-N 1 1 348.407 0.151 20 5 ECBDMO CCCn1ncnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983656073 745004817 /nfs/dbraw/zinc/00/48/17/745004817.db2.gz WYROUYBHDSPCEK-FDYHWXHSSA-N 1 1 336.396 0.338 20 5 ECBDMO COc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC000983656089 745005000 /nfs/dbraw/zinc/00/50/00/745005000.db2.gz XEYGZGABBXJIPY-FMKGYKFTSA-N 1 1 349.391 0.443 20 5 ECBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985342856 747757835 /nfs/dbraw/zinc/75/78/35/747757835.db2.gz VDONDBBVJSKPAA-UHFFFAOYSA-N 1 1 334.376 0.893 20 5 ECBDMO O=C(Cn1nccn1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000981249661 750469016 /nfs/dbraw/zinc/46/90/16/750469016.db2.gz YCTXILRYSCXPBP-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(Cn1nccn1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000981249661 750469020 /nfs/dbraw/zinc/46/90/20/750469020.db2.gz YCTXILRYSCXPBP-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)NC/C=C\CNc1ccc([N+](=O)[O-])cn1 ZINC001107254703 758054209 /nfs/dbraw/zinc/05/42/09/758054209.db2.gz ZFMRZCMFTCVEQJ-UPHRSURJSA-N 1 1 349.391 0.796 20 5 ECBDMO O=C(NCC1=CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C12CC[NH+](CC1)C2 ZINC001017585405 768154474 /nfs/dbraw/zinc/15/44/74/768154474.db2.gz JNMCHXJHONGYCK-ZIAGYGMSSA-N 1 1 348.403 0.022 20 5 ECBDMO CC(C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574947 769159563 /nfs/dbraw/zinc/15/95/63/769159563.db2.gz FXOXHLQKLQVQEB-ZIAGYGMSSA-N 1 1 340.424 0.395 20 5 ECBDMO NC(=O)c1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001020138861 772205284 /nfs/dbraw/zinc/20/52/84/772205284.db2.gz FIDFFGBQBIABNV-AAVRWANBSA-N 1 1 332.360 0.188 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc3c2OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139562 772206393 /nfs/dbraw/zinc/20/63/93/772206393.db2.gz FSYXFLLTKSECKQ-AAVRWANBSA-N 1 1 347.371 0.860 20 5 ECBDMO CCN(C(=O)C[NH+](CC)CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079816432 776930127 /nfs/dbraw/zinc/93/01/27/776930127.db2.gz FQFMUFPPEYZSAD-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CC(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963570 784245284 /nfs/dbraw/zinc/24/52/84/784245284.db2.gz XYPZXNYVPXDJGK-ZIAGYGMSSA-N 1 1 340.424 0.348 20 5 ECBDMO CC(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963570 784245292 /nfs/dbraw/zinc/24/52/92/784245292.db2.gz XYPZXNYVPXDJGK-ZIAGYGMSSA-N 1 1 340.424 0.348 20 5 ECBDMO CC(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001070963570 784245297 /nfs/dbraw/zinc/24/52/97/784245297.db2.gz XYPZXNYVPXDJGK-ZIAGYGMSSA-N 1 1 340.424 0.348 20 5 ECBDMO COc1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC001072721121 788648006 /nfs/dbraw/zinc/64/80/06/788648006.db2.gz FCKGFZCTRAQGDO-ZIAGYGMSSA-N 1 1 346.387 0.790 20 5 ECBDMO CC[NH+](CC)CC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388425 793074101 /nfs/dbraw/zinc/07/41/01/793074101.db2.gz DTCDNDVHDHELKP-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO O=C(NC1(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)c1ccc2c[nH+]cn2c1 ZINC001299160470 836601902 /nfs/dbraw/zinc/60/19/02/836601902.db2.gz PJQQMCHRBRFOKQ-CHWSQXEVSA-N 1 1 343.343 0.378 20 5 ECBDMO C[N@H+](CCNC(=O)C(=O)NCC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001267204522 836983153 /nfs/dbraw/zinc/98/31/53/836983153.db2.gz DRSNQVOMJDAWEU-UHFFFAOYSA-N 1 1 344.318 0.524 20 5 ECBDMO C[N@@H+](CCNC(=O)C(=O)NCC(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC001267204522 836983160 /nfs/dbraw/zinc/98/31/60/836983160.db2.gz DRSNQVOMJDAWEU-UHFFFAOYSA-N 1 1 344.318 0.524 20 5 ECBDMO CC[N@@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267249225 837066685 /nfs/dbraw/zinc/06/66/85/837066685.db2.gz RAPHGDLNRHYKJI-UHFFFAOYSA-N 1 1 334.376 0.798 20 5 ECBDMO COC(=O)NCC(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001267674028 838217983 /nfs/dbraw/zinc/21/79/83/838217983.db2.gz KRYHQMXEVYLCRM-UHFFFAOYSA-N 1 1 336.348 0.499 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000427322383 210192042 /nfs/dbraw/zinc/19/20/42/210192042.db2.gz FPJZKXLKSXTHHY-UHFFFAOYSA-N 1 1 331.275 0.619 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000109991932 220007435 /nfs/dbraw/zinc/00/74/35/220007435.db2.gz JWVQEWPVGLFTSS-NSHDSACASA-N 1 1 330.348 0.857 20 5 ECBDMO Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000246845513 243325997 /nfs/dbraw/zinc/32/59/97/243325997.db2.gz ZJNMPWZMHVLEGE-UKRRQHHQSA-N 1 1 334.380 0.994 20 5 ECBDMO CCOCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000110917615 220080319 /nfs/dbraw/zinc/08/03/19/220080319.db2.gz IAUZIYCHEWZIAZ-UHFFFAOYSA-N 1 1 339.396 0.671 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000450953288 211351995 /nfs/dbraw/zinc/35/19/95/211351995.db2.gz KQKDMUMUVRLHJL-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000450953288 211351997 /nfs/dbraw/zinc/35/19/97/211351997.db2.gz KQKDMUMUVRLHJL-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000447395528 211188428 /nfs/dbraw/zinc/18/84/28/211188428.db2.gz SUKHZWJNTIWCKR-OCCSQVGLSA-N 1 1 328.369 0.137 20 5 ECBDMO Cc1nc(NCC2([NH+]3CCOCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000413395277 208321780 /nfs/dbraw/zinc/32/17/80/208321780.db2.gz BUMQOLUQCCDYIU-UHFFFAOYSA-N 1 1 337.380 0.987 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000413951024 208381910 /nfs/dbraw/zinc/38/19/10/208381910.db2.gz GFJUZIWXNOEQBP-ZDUSSCGKSA-N 1 1 344.375 0.919 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000413951024 208381912 /nfs/dbraw/zinc/38/19/12/208381912.db2.gz GFJUZIWXNOEQBP-ZDUSSCGKSA-N 1 1 344.375 0.919 20 5 ECBDMO Cc1ccc([C@H](C)NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000419276166 209048634 /nfs/dbraw/zinc/04/86/34/209048634.db2.gz SVIBGRXGROVISM-VIFPVBQESA-N 1 1 344.318 0.791 20 5 ECBDMO C[C@H](O)C[NH+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000189314592 165008906 /nfs/dbraw/zinc/00/89/06/165008906.db2.gz AYUKZLINTQHOFV-XJKSGUPXSA-N 1 1 348.403 0.699 20 5 ECBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000247402205 165161451 /nfs/dbraw/zinc/16/14/51/165161451.db2.gz LVLFCSCZFIQJKJ-QWHCGFSZSA-N 1 1 345.359 0.683 20 5 ECBDMO CCOC(=O)[C@@H](C)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000248964791 165191612 /nfs/dbraw/zinc/19/16/12/165191612.db2.gz GXUOOXIXBACUFV-MFKMUULPSA-N 1 1 326.353 0.568 20 5 ECBDMO CCOC(=O)[C@@H](C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000248964791 165191615 /nfs/dbraw/zinc/19/16/15/165191615.db2.gz GXUOOXIXBACUFV-MFKMUULPSA-N 1 1 326.353 0.568 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248991132 165191946 /nfs/dbraw/zinc/19/19/46/165191946.db2.gz YGHSZYISZVCLRP-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248991132 165191950 /nfs/dbraw/zinc/19/19/50/165191950.db2.gz YGHSZYISZVCLRP-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262727133 165377475 /nfs/dbraw/zinc/37/74/75/165377475.db2.gz ZZDODMRTKPXTHK-UHFFFAOYSA-N 1 1 344.274 0.030 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(CO)CO ZINC000159558156 225240065 /nfs/dbraw/zinc/24/00/65/225240065.db2.gz JMSDUBKVNQSEBL-LLVKDONJSA-N 1 1 325.365 0.845 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(CO)CO ZINC000159558156 225240067 /nfs/dbraw/zinc/24/00/67/225240067.db2.gz JMSDUBKVNQSEBL-LLVKDONJSA-N 1 1 325.365 0.845 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273075626 263392727 /nfs/dbraw/zinc/39/27/27/263392727.db2.gz GHACMGSLXCYSSC-GWCFXTLKSA-N 1 1 342.302 0.754 20 5 ECBDMO CNC(=O)c1ccc(N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000284556066 264226886 /nfs/dbraw/zinc/22/68/86/264226886.db2.gz MXLPESSMARFMQY-LSDHHAIUSA-N 1 1 334.376 0.864 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827226 264242582 /nfs/dbraw/zinc/24/25/82/264242582.db2.gz AVADOXCKENEMRL-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827226 264242583 /nfs/dbraw/zinc/24/25/83/264242583.db2.gz AVADOXCKENEMRL-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827226 264242585 /nfs/dbraw/zinc/24/25/85/264242585.db2.gz AVADOXCKENEMRL-NWDGAFQWSA-N 1 1 337.380 0.816 20 5 ECBDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285214574 264291429 /nfs/dbraw/zinc/29/14/29/264291429.db2.gz WNIYBUGEJAQKCL-ZIAGYGMSSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285214574 264291430 /nfs/dbraw/zinc/29/14/30/264291430.db2.gz WNIYBUGEJAQKCL-ZIAGYGMSSA-N 1 1 341.389 0.688 20 5 ECBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C(COC)COC)CC1 ZINC000413470305 273782400 /nfs/dbraw/zinc/78/24/00/273782400.db2.gz CNTIKSZUWKIJGP-UHFFFAOYSA-N 1 1 341.412 0.903 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413896391 277361818 /nfs/dbraw/zinc/36/18/18/277361818.db2.gz GDYAYVLKYUKLNL-SNVBAGLBSA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413896391 277361819 /nfs/dbraw/zinc/36/18/19/277361819.db2.gz GDYAYVLKYUKLNL-SNVBAGLBSA-N 1 1 336.348 0.354 20 5 ECBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337209445 297185283 /nfs/dbraw/zinc/18/52/83/297185283.db2.gz AXSYUAQTAXHHGT-BPLDGKMQSA-N 1 1 335.360 0.545 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000338879168 297305099 /nfs/dbraw/zinc/30/50/99/297305099.db2.gz APAOCEFTQCJCOG-UHFFFAOYSA-N 1 1 347.379 0.618 20 5 ECBDMO O=C(C[NH+]1CCC(OCCO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000339781154 297384455 /nfs/dbraw/zinc/38/44/55/297384455.db2.gz PDEKJHSWARZRAO-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO CNc1c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000361211837 300073077 /nfs/dbraw/zinc/07/30/77/300073077.db2.gz KJUHBGOVPDKXDS-CYBMUJFWSA-N 1 1 349.391 0.706 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588425 300108503 /nfs/dbraw/zinc/10/85/03/300108503.db2.gz RSBFUKOIYUVQJX-BJJXKVORSA-N 1 1 340.376 0.806 20 5 ECBDMO O=C1CNCCN1[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362831001 300225875 /nfs/dbraw/zinc/22/58/75/300225875.db2.gz OANPJLXIHLSRNH-AWEZNQCLSA-N 1 1 348.403 0.870 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362995488 300239875 /nfs/dbraw/zinc/23/98/75/300239875.db2.gz XYXMEUSCBNLSGP-OLZOCXBDSA-N 1 1 337.380 0.469 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363104349 300246762 /nfs/dbraw/zinc/24/67/62/300246762.db2.gz OHXYCZGZVIIHIL-ZFWWWQNUSA-N 1 1 335.360 0.953 20 5 ECBDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345011 300347677 /nfs/dbraw/zinc/34/76/77/300347677.db2.gz ZOQTVQNEULNWJW-WDEREUQCSA-N 1 1 338.368 0.662 20 5 ECBDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345011 300347680 /nfs/dbraw/zinc/34/76/80/300347680.db2.gz ZOQTVQNEULNWJW-WDEREUQCSA-N 1 1 338.368 0.662 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000074137358 436107940 /nfs/dbraw/zinc/10/79/40/436107940.db2.gz MEKCOYDZNFFSIE-UHFFFAOYSA-N 1 1 334.376 0.418 20 5 ECBDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000024164329 436131389 /nfs/dbraw/zinc/13/13/89/436131389.db2.gz FDSJGJTXHLBKJP-UHFFFAOYSA-N 1 1 347.419 0.491 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000371994225 300960895 /nfs/dbraw/zinc/96/08/95/300960895.db2.gz JNAGXYRSCROLBF-KGLIPLIRSA-N 1 1 337.380 0.551 20 5 ECBDMO NC(=O)NC(=O)OCCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373584784 301068823 /nfs/dbraw/zinc/06/88/23/301068823.db2.gz MDFRLQDETGSMQQ-SNVBAGLBSA-N 1 1 340.340 0.623 20 5 ECBDMO Cn1nccc1C1=CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000375689977 301198890 /nfs/dbraw/zinc/19/88/90/301198890.db2.gz SAKQGLRYVFOGIS-AWEZNQCLSA-N 1 1 332.364 0.675 20 5 ECBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731541 301203280 /nfs/dbraw/zinc/20/32/80/301203280.db2.gz OCBMBVMVRGSIOC-YDHLFZDLSA-N 1 1 342.396 0.841 20 5 ECBDMO CNC(=O)[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000376285377 301249408 /nfs/dbraw/zinc/24/94/08/301249408.db2.gz MGFYOATVZNUZEB-CYBMUJFWSA-N 1 1 336.348 0.370 20 5 ECBDMO CNC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000376285377 301249410 /nfs/dbraw/zinc/24/94/10/301249410.db2.gz MGFYOATVZNUZEB-CYBMUJFWSA-N 1 1 336.348 0.370 20 5 ECBDMO NC(=O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000027343440 436174303 /nfs/dbraw/zinc/17/43/03/436174303.db2.gz HGSGNEYZFGQMBK-UHFFFAOYSA-N 1 1 332.360 0.681 20 5 ECBDMO COC1CC[NH+](CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000080294002 436317037 /nfs/dbraw/zinc/31/70/37/436317037.db2.gz AWGSNKMRIBBPAB-UHFFFAOYSA-N 1 1 343.405 0.984 20 5 ECBDMO CC(C)OCCN1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000080624766 436325164 /nfs/dbraw/zinc/32/51/64/436325164.db2.gz HOFVPIXASWFEGM-OAHLLOKOSA-N 1 1 341.412 0.195 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089099436 436405981 /nfs/dbraw/zinc/40/59/81/436405981.db2.gz GBVNTOXCQWGEGA-RDBSUJKOSA-N 1 1 326.353 0.032 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000089099436 436405982 /nfs/dbraw/zinc/40/59/82/436405982.db2.gz GBVNTOXCQWGEGA-RDBSUJKOSA-N 1 1 326.353 0.032 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000091082705 436441134 /nfs/dbraw/zinc/44/11/34/436441134.db2.gz FTLAIHCBCFMPDK-GFCCVEGCSA-N 1 1 333.339 0.425 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051131777 436484334 /nfs/dbraw/zinc/48/43/34/436484334.db2.gz OIVPHXJLTXKOQP-CYBMUJFWSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051131777 436484338 /nfs/dbraw/zinc/48/43/38/436484338.db2.gz OIVPHXJLTXKOQP-CYBMUJFWSA-N 1 1 336.348 0.418 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053424904 436532605 /nfs/dbraw/zinc/53/26/05/436532605.db2.gz UEQKTFZKBMLJBO-AWEZNQCLSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@H+](CC(=O)N1CCCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053424904 436532608 /nfs/dbraw/zinc/53/26/08/436532608.db2.gz UEQKTFZKBMLJBO-AWEZNQCLSA-N 1 1 337.376 0.889 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000109066913 436622317 /nfs/dbraw/zinc/62/23/17/436622317.db2.gz AOGBQHPKMHLMOW-UWVGGRQHSA-N 1 1 329.378 0.974 20 5 ECBDMO O=C(C[N@@H+](CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109797648 436626216 /nfs/dbraw/zinc/62/62/16/436626216.db2.gz CNRGQBJXPGZTMJ-UHFFFAOYSA-N 1 1 331.756 0.863 20 5 ECBDMO O=C(C[N@H+](CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000109797648 436626218 /nfs/dbraw/zinc/62/62/18/436626218.db2.gz CNRGQBJXPGZTMJ-UHFFFAOYSA-N 1 1 331.756 0.863 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000107300789 436609787 /nfs/dbraw/zinc/60/97/87/436609787.db2.gz ZUCAHQBWUDDZCP-LBPRGKRZSA-N 1 1 328.394 0.600 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000107300789 436609789 /nfs/dbraw/zinc/60/97/89/436609789.db2.gz ZUCAHQBWUDDZCP-LBPRGKRZSA-N 1 1 328.394 0.600 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531624299 302060127 /nfs/dbraw/zinc/06/01/27/302060127.db2.gz RUHFUJZWSBTZBE-UHFFFAOYSA-N 1 1 349.391 0.710 20 5 ECBDMO C[N@@H+](CCN1CCCC1=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348256 302183327 /nfs/dbraw/zinc/18/33/27/302183327.db2.gz BMHJPSWQRHQOSU-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@H+]1CC[C@@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543613017 302215930 /nfs/dbraw/zinc/21/59/30/302215930.db2.gz OPCZUDDUNHHREH-LLVKDONJSA-N 1 1 341.389 0.436 20 5 ECBDMO COCC[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000156348283 436813954 /nfs/dbraw/zinc/81/39/54/436813954.db2.gz OJFNSJBUTHSDIK-UHFFFAOYSA-N 1 1 339.348 0.834 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000126615369 436788588 /nfs/dbraw/zinc/78/85/88/436788588.db2.gz IBCSGBIFZKXUHP-CMPLNLGQSA-N 1 1 325.369 0.325 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000126615369 436788591 /nfs/dbraw/zinc/78/85/91/436788591.db2.gz IBCSGBIFZKXUHP-CMPLNLGQSA-N 1 1 325.369 0.325 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@@H](CO)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000274135385 436800400 /nfs/dbraw/zinc/80/04/00/436800400.db2.gz WSDGCUSTAVULTG-ZDUSSCGKSA-N 1 1 349.347 0.599 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155709520 436801530 /nfs/dbraw/zinc/80/15/30/436801530.db2.gz NJPVBHRSSZVIIL-OLZOCXBDSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155709520 436801532 /nfs/dbraw/zinc/80/15/32/436801532.db2.gz NJPVBHRSSZVIIL-OLZOCXBDSA-N 1 1 329.378 0.252 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249554290 436824660 /nfs/dbraw/zinc/82/46/60/436824660.db2.gz JELINYMERWYLSD-OSAQELSMSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249554290 436824662 /nfs/dbraw/zinc/82/46/62/436824662.db2.gz JELINYMERWYLSD-OSAQELSMSA-N 1 1 337.376 0.920 20 5 ECBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000134353695 436896552 /nfs/dbraw/zinc/89/65/52/436896552.db2.gz LVLFCSCZFIQJKJ-OLZOCXBDSA-N 1 1 345.359 0.683 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000263719848 436980476 /nfs/dbraw/zinc/98/04/76/436980476.db2.gz FISUVRKGHGMQCE-UHFFFAOYSA-N 1 1 327.385 0.493 20 5 ECBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000264492876 437036796 /nfs/dbraw/zinc/03/67/96/437036796.db2.gz WRBAKNUKQYBQGT-NSHDSACASA-N 1 1 325.369 0.165 20 5 ECBDMO COCC[N@@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000263784597 436988325 /nfs/dbraw/zinc/98/83/25/436988325.db2.gz MJSMEXFOAPGISK-UHFFFAOYSA-N 1 1 332.382 0.232 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000275590627 436988390 /nfs/dbraw/zinc/98/83/90/436988390.db2.gz DLCDYOOQPFTOIW-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000275590627 436988392 /nfs/dbraw/zinc/98/83/92/436988392.db2.gz DLCDYOOQPFTOIW-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO O=C1CCC(=O)N1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173464817 437053090 /nfs/dbraw/zinc/05/30/90/437053090.db2.gz IICBZXILFSOAJS-LLVKDONJSA-N 1 1 333.348 0.625 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000299258157 437061624 /nfs/dbraw/zinc/06/16/24/437061624.db2.gz WJYYKQJDEYMTAB-UHFFFAOYSA-N 1 1 325.369 0.362 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000264671622 437061992 /nfs/dbraw/zinc/06/19/92/437061992.db2.gz UKINLUQGMUCTCE-UHFFFAOYSA-N 1 1 336.396 0.162 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NC2C[NH+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000276714487 437150922 /nfs/dbraw/zinc/15/09/22/437150922.db2.gz RMVKBEXHYWSVBN-UHFFFAOYSA-N 1 1 334.376 0.842 20 5 ECBDMO CC(C)N1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287093 437157144 /nfs/dbraw/zinc/15/71/44/437157144.db2.gz AYBZMEBFQNOHDZ-OAHLLOKOSA-N 1 1 325.413 0.957 20 5 ECBDMO CC(C)N1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304287093 437157147 /nfs/dbraw/zinc/15/71/47/437157147.db2.gz AYBZMEBFQNOHDZ-OAHLLOKOSA-N 1 1 325.413 0.957 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000265399153 437123591 /nfs/dbraw/zinc/12/35/91/437123591.db2.gz OVTUFXBIYZCNEA-UHFFFAOYSA-N 1 1 336.348 0.752 20 5 ECBDMO CCS(=O)(=O)N(C)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176237670 437137603 /nfs/dbraw/zinc/13/76/03/437137603.db2.gz RFRKFCVZGIRERK-UHFFFAOYSA-N 1 1 345.425 0.537 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302086483 437139734 /nfs/dbraw/zinc/13/97/34/437139734.db2.gz KTSQSASEAKAQIH-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1C ZINC000319293668 437200886 /nfs/dbraw/zinc/20/08/86/437200886.db2.gz KDSGEAUHOLWNDQ-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN([C@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000179330213 437260401 /nfs/dbraw/zinc/26/04/01/437260401.db2.gz GFWGYFOPZRATCD-SNVBAGLBSA-N 1 1 325.369 0.409 20 5 ECBDMO COc1cc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)ncn1 ZINC000184080530 437396317 /nfs/dbraw/zinc/39/63/17/437396317.db2.gz SUGGZHMWLAAKPS-UHFFFAOYSA-N 1 1 333.352 0.412 20 5 ECBDMO Cc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)ccc1[N+](=O)[O-] ZINC000186667020 437480925 /nfs/dbraw/zinc/48/09/25/437480925.db2.gz HLJJBPKNBSXKEU-CQSZACIVSA-N 1 1 346.387 0.940 20 5 ECBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186703255 437481641 /nfs/dbraw/zinc/48/16/41/437481641.db2.gz IEMUMCUDGRIMCF-HNNXBMFYSA-N 1 1 346.387 0.560 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000185644714 437447973 /nfs/dbraw/zinc/44/79/73/437447973.db2.gz XDEZCOUMRROCRL-LLVKDONJSA-N 1 1 337.380 0.539 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2CC)c([N+](=O)[O-])n1 ZINC000330458001 437518064 /nfs/dbraw/zinc/51/80/64/437518064.db2.gz REDNQDTUJUZTFS-LLVKDONJSA-N 1 1 345.425 0.916 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000191760044 437654470 /nfs/dbraw/zinc/65/44/70/437654470.db2.gz ZLRVTGPONJIMPW-LBPRGKRZSA-N 1 1 339.396 0.898 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)n1 ZINC000191822606 437656131 /nfs/dbraw/zinc/65/61/31/437656131.db2.gz AALALCYMSHHLJM-NSHDSACASA-N 1 1 325.369 0.509 20 5 ECBDMO COC(=O)[C@H](CC(C)C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292353847 437682297 /nfs/dbraw/zinc/68/22/97/437682297.db2.gz HQCBBYDAXCVNSN-OLZOCXBDSA-N 1 1 328.369 0.672 20 5 ECBDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000292353847 437682301 /nfs/dbraw/zinc/68/23/01/437682301.db2.gz HQCBBYDAXCVNSN-OLZOCXBDSA-N 1 1 328.369 0.672 20 5 ECBDMO O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043292 437723635 /nfs/dbraw/zinc/72/36/35/437723635.db2.gz IJDWZAUTUIMMLJ-KWBADKCTSA-N 1 1 349.343 0.965 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043292 437723639 /nfs/dbraw/zinc/72/36/39/437723639.db2.gz IJDWZAUTUIMMLJ-KWBADKCTSA-N 1 1 349.343 0.965 20 5 ECBDMO CCOC(=O)[C@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568179 437805120 /nfs/dbraw/zinc/80/51/20/437805120.db2.gz GZGQLRPCTSTLCX-UONOGXRCSA-N 1 1 340.380 0.960 20 5 ECBDMO CCOC(=O)[C@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000370568179 437805123 /nfs/dbraw/zinc/80/51/23/437805123.db2.gz GZGQLRPCTSTLCX-UONOGXRCSA-N 1 1 340.380 0.960 20 5 ECBDMO O=C(CN1CC[NH+]([C@@H]2CCOC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000370751725 437829630 /nfs/dbraw/zinc/82/96/30/437829630.db2.gz ZIEGLYIERNAEFF-CYBMUJFWSA-N 1 1 334.376 0.940 20 5 ECBDMO CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000371084436 437883061 /nfs/dbraw/zinc/88/30/61/437883061.db2.gz GZOZQXGGFNWQNE-HZPDHXFCSA-N 1 1 338.452 0.964 20 5 ECBDMO O=c1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]c2ccnn21 ZINC000347787017 437960771 /nfs/dbraw/zinc/96/07/71/437960771.db2.gz GBWRDTQZFVSWQE-UHFFFAOYSA-N 1 1 326.316 0.884 20 5 ECBDMO O=c1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)[nH]c2ccnn21 ZINC000347787017 437960776 /nfs/dbraw/zinc/96/07/76/437960776.db2.gz GBWRDTQZFVSWQE-UHFFFAOYSA-N 1 1 326.316 0.884 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000371626590 437968791 /nfs/dbraw/zinc/96/87/91/437968791.db2.gz HIEHBTHQPVIBSG-CYBMUJFWSA-N 1 1 332.364 0.903 20 5 ECBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000357394796 437978461 /nfs/dbraw/zinc/97/84/61/437978461.db2.gz XHFGPBONDMZNDS-GFCCVEGCSA-N 1 1 342.377 0.286 20 5 ECBDMO CS[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000342543604 438028508 /nfs/dbraw/zinc/02/85/08/438028508.db2.gz KFRCZRPKRIZKJQ-FRRDWIJNSA-N 1 1 329.426 0.130 20 5 ECBDMO CS[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1N(C)C ZINC000342543604 438028512 /nfs/dbraw/zinc/02/85/12/438028512.db2.gz KFRCZRPKRIZKJQ-FRRDWIJNSA-N 1 1 329.426 0.130 20 5 ECBDMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328724 438069688 /nfs/dbraw/zinc/06/96/88/438069688.db2.gz CGGFITSHLHDSPT-LLVKDONJSA-N 1 1 336.352 0.370 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000373393232 438149015 /nfs/dbraw/zinc/14/90/15/438149015.db2.gz OKDAJVNDLSMXRT-GFCCVEGCSA-N 1 1 334.380 0.375 20 5 ECBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358213159 438185062 /nfs/dbraw/zinc/18/50/62/438185062.db2.gz OOURDLKZYKPGIZ-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000367152341 438172626 /nfs/dbraw/zinc/17/26/26/438172626.db2.gz GJPMCSFSRUOIHL-LLVKDONJSA-N 1 1 327.410 0.870 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000367152341 438172631 /nfs/dbraw/zinc/17/26/31/438172631.db2.gz GJPMCSFSRUOIHL-LLVKDONJSA-N 1 1 327.410 0.870 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000367988860 438272169 /nfs/dbraw/zinc/27/21/69/438272169.db2.gz MWJUGGOXKZWPDX-BXUZGUMPSA-N 1 1 332.360 0.897 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368053997 438281689 /nfs/dbraw/zinc/28/16/89/438281689.db2.gz JHVODNSXTHBOSY-UHIISALHSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368053997 438281693 /nfs/dbraw/zinc/28/16/93/438281693.db2.gz JHVODNSXTHBOSY-UHIISALHSA-N 1 1 332.360 0.990 20 5 ECBDMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006358 438338343 /nfs/dbraw/zinc/33/83/43/438338343.db2.gz VCRGHOQIBUBDCQ-VXGBXAGGSA-N 1 1 326.353 0.283 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368240338 438304133 /nfs/dbraw/zinc/30/41/33/438304133.db2.gz IWUJJLRDNIMAME-GRYCIOLGSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368240338 438304137 /nfs/dbraw/zinc/30/41/37/438304137.db2.gz IWUJJLRDNIMAME-GRYCIOLGSA-N 1 1 332.360 0.990 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000405666283 438471080 /nfs/dbraw/zinc/47/10/80/438471080.db2.gz JCNQULYRMMDMBR-WDEREUQCSA-N 1 1 345.352 0.173 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(F)c1 ZINC000405666283 438471084 /nfs/dbraw/zinc/47/10/84/438471084.db2.gz JCNQULYRMMDMBR-WDEREUQCSA-N 1 1 345.352 0.173 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405674022 438471242 /nfs/dbraw/zinc/47/12/42/438471242.db2.gz KSWLKJSRNJXWQT-QWHCGFSZSA-N 1 1 341.389 0.175 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405674022 438471248 /nfs/dbraw/zinc/47/12/48/438471248.db2.gz KSWLKJSRNJXWQT-QWHCGFSZSA-N 1 1 341.389 0.175 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000438284171 438475172 /nfs/dbraw/zinc/47/51/72/438475172.db2.gz YGWDRKDYNDPOAK-SDDRHHMPSA-N 1 1 337.380 0.950 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494254634 438682339 /nfs/dbraw/zinc/68/23/39/438682339.db2.gz SWCFEJAIUNJJGN-HNNXBMFYSA-N 1 1 338.339 0.786 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451638374 438701958 /nfs/dbraw/zinc/70/19/58/438701958.db2.gz ZDAADCROJMZEBN-TXEJJXNPSA-N 1 1 346.343 0.436 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000576240024 438775028 /nfs/dbraw/zinc/77/50/28/438775028.db2.gz OUJZCQYCOHUPKQ-UHFFFAOYSA-N 1 1 338.412 0.528 20 5 ECBDMO CN(CCCN(C)C(=O)c1ccnc(N)c1[N+](=O)[O-])CC[NH+](C)C ZINC000576240024 438775030 /nfs/dbraw/zinc/77/50/30/438775030.db2.gz OUJZCQYCOHUPKQ-UHFFFAOYSA-N 1 1 338.412 0.528 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000588026881 438813453 /nfs/dbraw/zinc/81/34/53/438813453.db2.gz SGCVZWAKXNYUQV-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000588026881 438813456 /nfs/dbraw/zinc/81/34/56/438813456.db2.gz SGCVZWAKXNYUQV-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728768 438851570 /nfs/dbraw/zinc/85/15/70/438851570.db2.gz OQKLYAAOEDLVAY-MGPQQGTHSA-N 1 1 349.387 0.935 20 5 ECBDMO NC(=O)C1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000595728789 438852167 /nfs/dbraw/zinc/85/21/67/438852167.db2.gz OXLCLBGQOVCPKX-UHFFFAOYSA-N 1 1 348.359 0.108 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC000595729018 438852853 /nfs/dbraw/zinc/85/28/53/438852853.db2.gz PQQCFYXCAXDNKL-UHFFFAOYSA-N 1 1 336.348 0.466 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590281506 438908508 /nfs/dbraw/zinc/90/85/08/438908508.db2.gz OBLOSYUXCYARMA-MFKMUULPSA-N 1 1 348.359 0.704 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000595801387 438866028 /nfs/dbraw/zinc/86/60/28/438866028.db2.gz WLUMGADHKOFJHT-CYBMUJFWSA-N 1 1 326.349 0.011 20 5 ECBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595849366 438871122 /nfs/dbraw/zinc/87/11/22/438871122.db2.gz INILGGCQTNDEBF-ZDUSSCGKSA-N 1 1 336.392 0.993 20 5 ECBDMO C[C@@H]1CN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865351 438880894 /nfs/dbraw/zinc/88/08/94/438880894.db2.gz XTCINFALKTYALA-UKRRQHHQSA-N 1 1 341.412 0.243 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000590355364 438911273 /nfs/dbraw/zinc/91/12/73/438911273.db2.gz SRVNWWFZHTUDCG-LLVKDONJSA-N 1 1 336.396 0.561 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000590559088 438933049 /nfs/dbraw/zinc/93/30/49/438933049.db2.gz YWRVXQUPLQSPGK-UHFFFAOYSA-N 1 1 337.380 0.280 20 5 ECBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000590554550 438933378 /nfs/dbraw/zinc/93/33/78/438933378.db2.gz DLYZPLMSWXCQBM-GFCCVEGCSA-N 1 1 337.380 0.503 20 5 ECBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000471750236 439094744 /nfs/dbraw/zinc/09/47/44/439094744.db2.gz NHRLAIYOJRNUAT-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO NC(=O)c1coc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])c1 ZINC000591761707 439083272 /nfs/dbraw/zinc/08/32/72/439083272.db2.gz STWZHNQQYARCLS-LLVKDONJSA-N 1 1 335.316 0.816 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000602837990 439142720 /nfs/dbraw/zinc/14/27/20/439142720.db2.gz QXQICCFKGWRMJC-GFCCVEGCSA-N 1 1 329.364 0.891 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996084 439211566 /nfs/dbraw/zinc/21/15/66/439211566.db2.gz HZQVJLBRALXGCF-NWDGAFQWSA-N 1 1 339.396 0.715 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000597996084 439211569 /nfs/dbraw/zinc/21/15/69/439211569.db2.gz HZQVJLBRALXGCF-NWDGAFQWSA-N 1 1 339.396 0.715 20 5 ECBDMO COC(=O)c1cnc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599107142 439360169 /nfs/dbraw/zinc/36/01/69/439360169.db2.gz JLKMATDDPFJUDJ-UHFFFAOYSA-N 1 1 349.391 0.460 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599108691 439360428 /nfs/dbraw/zinc/36/04/28/439360428.db2.gz UOSRHWICDQTGTP-QMMMGPOBSA-N 1 1 349.340 0.009 20 5 ECBDMO CNC(=O)c1ccc(N2CC(CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599108325 439360770 /nfs/dbraw/zinc/36/07/70/439360770.db2.gz MOCWEQLCEKCEST-UHFFFAOYSA-N 1 1 347.419 0.638 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C1CC1 ZINC000593131612 439347863 /nfs/dbraw/zinc/34/78/63/439347863.db2.gz VJDJPVLVJHZSKS-UONOGXRCSA-N 1 1 335.360 0.888 20 5 ECBDMO C[C@@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000599216966 439385297 /nfs/dbraw/zinc/38/52/97/439385297.db2.gz WVWRJZSVYUGISM-QWRGUYRKSA-N 1 1 345.425 0.727 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)nc1 ZINC000593602792 439420635 /nfs/dbraw/zinc/42/06/35/439420635.db2.gz GZJLSGIRILINSA-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)nc1 ZINC000593602792 439420637 /nfs/dbraw/zinc/42/06/37/439420637.db2.gz GZJLSGIRILINSA-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583212940 439433713 /nfs/dbraw/zinc/43/37/13/439433713.db2.gz XSKROHPHEZKSRR-GJZGRUSLSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000583212940 439433717 /nfs/dbraw/zinc/43/37/17/439433717.db2.gz XSKROHPHEZKSRR-GJZGRUSLSA-N 1 1 336.392 0.839 20 5 ECBDMO COC(=O)c1cc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000593854359 439478810 /nfs/dbraw/zinc/47/88/10/439478810.db2.gz IRLXOIGDTFLTIP-CQSZACIVSA-N 1 1 349.343 0.272 20 5 ECBDMO COC(=O)c1cc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc([N+](=O)[O-])c1 ZINC000593854359 439478812 /nfs/dbraw/zinc/47/88/12/439478812.db2.gz IRLXOIGDTFLTIP-CQSZACIVSA-N 1 1 349.343 0.272 20 5 ECBDMO [NH3+]CC(F)(F)CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000593906130 439492550 /nfs/dbraw/zinc/49/25/50/439492550.db2.gz ROOLJZQPPJKRIW-SECBINFHSA-N 1 1 329.307 0.987 20 5 ECBDMO CNc1nccc(C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000594292097 439535863 /nfs/dbraw/zinc/53/58/63/439535863.db2.gz PAARWSGHZBZNMH-LLVKDONJSA-N 1 1 337.380 0.872 20 5 ECBDMO CNc1nccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000594289992 439535929 /nfs/dbraw/zinc/53/59/29/439535929.db2.gz FQJPNJDRVPZWJM-QWHCGFSZSA-N 1 1 349.391 0.703 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609279196 439562248 /nfs/dbraw/zinc/56/22/48/439562248.db2.gz RHDNDAVQDHBADJ-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609279196 439562250 /nfs/dbraw/zinc/56/22/50/439562250.db2.gz RHDNDAVQDHBADJ-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594478957 439567071 /nfs/dbraw/zinc/56/70/71/439567071.db2.gz YPPCNGUYRLYAJV-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1cc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000594478957 439567072 /nfs/dbraw/zinc/56/70/72/439567072.db2.gz YPPCNGUYRLYAJV-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO C[N@@H+](CCN1CCCC1=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609578226 439577782 /nfs/dbraw/zinc/57/77/82/439577782.db2.gz MBFMDPKGEXPQIK-CQSZACIVSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592236 439580047 /nfs/dbraw/zinc/58/00/47/439580047.db2.gz OJOJHBFSWRHADD-UTUOFQBUSA-N 1 1 334.380 1.547 20 5 ECBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592236 439580051 /nfs/dbraw/zinc/58/00/51/439580051.db2.gz OJOJHBFSWRHADD-UTUOFQBUSA-N 1 1 334.380 1.547 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000594769747 439606869 /nfs/dbraw/zinc/60/68/69/439606869.db2.gz CZDHPKPUJCCQMW-PWSUYJOCSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@H]2C1 ZINC000594769747 439606871 /nfs/dbraw/zinc/60/68/71/439606871.db2.gz CZDHPKPUJCCQMW-PWSUYJOCSA-N 1 1 326.378 0.705 20 5 ECBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261376 439607085 /nfs/dbraw/zinc/60/70/85/439607085.db2.gz YNGHWHQUINZKPK-UHFFFAOYSA-N 1 1 325.350 0.863 20 5 ECBDMO Cc1noc(C[N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595289469 439690885 /nfs/dbraw/zinc/69/08/85/439690885.db2.gz RZPKMHPDAVCQDM-LBPRGKRZSA-N 1 1 338.364 0.962 20 5 ECBDMO Cc1noc(C[N@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)c1[N+](=O)[O-] ZINC000595289469 439690889 /nfs/dbraw/zinc/69/08/89/439690889.db2.gz RZPKMHPDAVCQDM-LBPRGKRZSA-N 1 1 338.364 0.962 20 5 ECBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000339708208 321000948 /nfs/dbraw/zinc/00/09/48/321000948.db2.gz DHEZXYANNFIAMP-GJZGRUSLSA-N 1 1 326.397 0.883 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000342290963 321086100 /nfs/dbraw/zinc/08/61/00/321086100.db2.gz IJELAMVDYIHOLL-NSHDSACASA-N 1 1 325.369 0.398 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000342290963 321086102 /nfs/dbraw/zinc/08/61/02/321086102.db2.gz IJELAMVDYIHOLL-NSHDSACASA-N 1 1 325.369 0.398 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365820 321087124 /nfs/dbraw/zinc/08/71/24/321087124.db2.gz VTSYZLFPRXXSTI-AAEUAGOBSA-N 1 1 338.364 0.338 20 5 ECBDMO C[C@@H]1OCC[C@@]12C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248651 321271803 /nfs/dbraw/zinc/27/18/03/321271803.db2.gz PKXFSYPZHBAFAT-IACUBPJLSA-N 1 1 326.353 0.032 20 5 ECBDMO CN(C)c1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)cc[nH+]1 ZINC000352008828 321345261 /nfs/dbraw/zinc/34/52/61/321345261.db2.gz RGUSVMFSJOEACW-UHFFFAOYSA-N 1 1 345.363 0.741 20 5 ECBDMO O=C(CCN1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352508550 321362601 /nfs/dbraw/zinc/36/26/01/321362601.db2.gz HLXWDNDNBMQESH-INIZCTEOSA-N 1 1 347.419 0.903 20 5 ECBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000352571217 321364657 /nfs/dbraw/zinc/36/46/57/321364657.db2.gz RXEMIYVYTMZMRL-AWEZNQCLSA-N 1 1 348.403 0.793 20 5 ECBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000352571217 321364658 /nfs/dbraw/zinc/36/46/58/321364658.db2.gz RXEMIYVYTMZMRL-AWEZNQCLSA-N 1 1 348.403 0.793 20 5 ECBDMO C[C@@H]1C[N@H+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554551374 322172769 /nfs/dbraw/zinc/17/27/69/322172769.db2.gz WJFJBXMDZZLUKL-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554551374 322172772 /nfs/dbraw/zinc/17/27/72/322172772.db2.gz WJFJBXMDZZLUKL-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H]1CN(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCO1 ZINC000554551374 322172774 /nfs/dbraw/zinc/17/27/74/322172774.db2.gz WJFJBXMDZZLUKL-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000575248578 322793461 /nfs/dbraw/zinc/79/34/61/322793461.db2.gz LWFLSNFZBYHQRI-LBPRGKRZSA-N 1 1 335.368 0.260 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000189697776 534079390 /nfs/dbraw/zinc/07/93/90/534079390.db2.gz RFONJVFRWILAQA-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO CCOC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000130761616 528802029 /nfs/dbraw/zinc/80/20/29/528802029.db2.gz KAUDQKNTUYJLMI-LBPRGKRZSA-N 1 1 328.369 0.816 20 5 ECBDMO CCCNC(=O)C[N@@H+](CCC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266555556 535065861 /nfs/dbraw/zinc/06/58/61/535065861.db2.gz VWBXBAJDHBOPKX-ZDUSSCGKSA-N 1 1 327.385 0.390 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251991 546310813 /nfs/dbraw/zinc/31/08/13/546310813.db2.gz DFWWARKEIIPWHZ-RYUDHWBXSA-N 1 1 325.344 0.744 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000750865178 579359669 /nfs/dbraw/zinc/35/96/69/579359669.db2.gz SKZKCPWOEXJWIS-UHFFFAOYSA-N 1 1 348.403 0.966 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730790491 578309010 /nfs/dbraw/zinc/30/90/10/578309010.db2.gz XPXPERASBSYFSQ-CYBMUJFWSA-N 1 1 347.375 0.781 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733977866 578350831 /nfs/dbraw/zinc/35/08/31/578350831.db2.gz TUNRDRIFQBWRBU-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733977866 578350833 /nfs/dbraw/zinc/35/08/33/578350833.db2.gz TUNRDRIFQBWRBU-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000733977866 578350834 /nfs/dbraw/zinc/35/08/34/578350834.db2.gz TUNRDRIFQBWRBU-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000789562274 578856788 /nfs/dbraw/zinc/85/67/88/578856788.db2.gz WWWOTZYJZUHCON-BLLLJJGKSA-N 1 1 336.344 0.961 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1[N+](=O)[O-] ZINC000789562274 578856790 /nfs/dbraw/zinc/85/67/90/578856790.db2.gz WWWOTZYJZUHCON-BLLLJJGKSA-N 1 1 336.344 0.961 20 5 ECBDMO CNc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000765370649 579063995 /nfs/dbraw/zinc/06/39/95/579063995.db2.gz UGOMOAIJBWDPHJ-UHFFFAOYSA-N 1 1 335.364 0.316 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714743 579546569 /nfs/dbraw/zinc/54/65/69/579546569.db2.gz CWBMDXUNSWRRJL-GDBMZVCRSA-N 1 1 348.359 0.271 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738371734 579624860 /nfs/dbraw/zinc/62/48/60/579624860.db2.gz XNIUJVOSXIFXJP-GFCCVEGCSA-N 1 1 345.363 0.686 20 5 ECBDMO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742199585 579781821 /nfs/dbraw/zinc/78/18/21/579781821.db2.gz TVUGUGCUDZEAHT-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742199585 579781822 /nfs/dbraw/zinc/78/18/22/579781822.db2.gz TVUGUGCUDZEAHT-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO O=C1N[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899876108 586510767 /nfs/dbraw/zinc/51/07/67/586510767.db2.gz MMIZZAHULQDOJX-MRXNPFEDSA-N 1 1 332.360 0.850 20 5 ECBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+](C)C1 ZINC000840361218 587431211 /nfs/dbraw/zinc/43/12/11/587431211.db2.gz UXDLGAKOHFZPPD-VIFPVBQESA-N 1 1 335.320 0.672 20 5 ECBDMO COCC[N@@H+](C)CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821689142 587622633 /nfs/dbraw/zinc/62/26/33/587622633.db2.gz MWUVLJUMGTWMTB-UHFFFAOYSA-N 1 1 336.356 0.550 20 5 ECBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826363956 588034947 /nfs/dbraw/zinc/03/49/47/588034947.db2.gz GSSKRVMVVAXNHS-VIFPVBQESA-N 1 1 341.335 0.897 20 5 ECBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2N1 ZINC000826573433 588071008 /nfs/dbraw/zinc/07/10/08/588071008.db2.gz ALIZDATXDJRDFT-GFCCVEGCSA-N 1 1 332.360 0.735 20 5 ECBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2N1 ZINC000826573433 588071009 /nfs/dbraw/zinc/07/10/09/588071009.db2.gz ALIZDATXDJRDFT-GFCCVEGCSA-N 1 1 332.360 0.735 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827415782 588119514 /nfs/dbraw/zinc/11/95/14/588119514.db2.gz LGZCKPYIQKEIRU-UKRRQHHQSA-N 1 1 337.376 0.543 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827415783 588119538 /nfs/dbraw/zinc/11/95/38/588119538.db2.gz LGZCKPYIQKEIRU-ZFWWWQNUSA-N 1 1 337.376 0.543 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000830022629 588354979 /nfs/dbraw/zinc/35/49/79/588354979.db2.gz LRRNCACSVWNCGZ-VXGBXAGGSA-N 1 1 339.421 0.796 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cs1 ZINC000831804669 588450571 /nfs/dbraw/zinc/45/05/71/588450571.db2.gz LACKXCPVJZUETP-SNVBAGLBSA-N 1 1 349.434 0.781 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cs1 ZINC000831804669 588450573 /nfs/dbraw/zinc/45/05/73/588450573.db2.gz LACKXCPVJZUETP-SNVBAGLBSA-N 1 1 349.434 0.781 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000109067169 589356683 /nfs/dbraw/zinc/35/66/83/589356683.db2.gz NNSDECDEPLOKDF-AOOOYVTPSA-N 1 1 329.378 0.974 20 5 ECBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000858628170 589761632 /nfs/dbraw/zinc/76/16/32/589761632.db2.gz KWAZNLLWLLCPBH-SECBINFHSA-N 1 1 349.796 0.823 20 5 ECBDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000863507698 590019877 /nfs/dbraw/zinc/01/98/77/590019877.db2.gz AYOJUYCVWWUWGX-LLVKDONJSA-N 1 1 345.302 0.749 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000863507698 590019879 /nfs/dbraw/zinc/01/98/79/590019879.db2.gz AYOJUYCVWWUWGX-LLVKDONJSA-N 1 1 345.302 0.749 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880071931 590365807 /nfs/dbraw/zinc/36/58/07/590365807.db2.gz LTHGVDYDCMDHCI-LSDHHAIUSA-N 1 1 348.403 0.983 20 5 ECBDMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cn1 ZINC000946589305 611356489 /nfs/dbraw/zinc/35/64/89/611356489.db2.gz QUABKGBMYXYQEK-QKPAOTATSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cn1 ZINC000946589305 611356490 /nfs/dbraw/zinc/35/64/90/611356490.db2.gz QUABKGBMYXYQEK-QKPAOTATSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cn1 ZINC000946589305 611356491 /nfs/dbraw/zinc/35/64/91/611356491.db2.gz QUABKGBMYXYQEK-QKPAOTATSA-N 1 1 347.419 0.756 20 5 ECBDMO O=C(C[N@H+]1CC[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934023668 608788653 /nfs/dbraw/zinc/78/86/53/608788653.db2.gz UGVGPIRCUZIGHX-HNNXBMFYSA-N 1 1 334.376 0.310 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000934023668 608788655 /nfs/dbraw/zinc/78/86/55/608788655.db2.gz UGVGPIRCUZIGHX-HNNXBMFYSA-N 1 1 334.376 0.310 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](CO)C1 ZINC000912746098 609998869 /nfs/dbraw/zinc/99/88/69/609998869.db2.gz AMOVRBBRJCDEGZ-CQSZACIVSA-N 1 1 332.360 0.684 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@@H](CO)C1 ZINC000912746098 609998871 /nfs/dbraw/zinc/99/88/71/609998871.db2.gz AMOVRBBRJCDEGZ-CQSZACIVSA-N 1 1 332.360 0.684 20 5 ECBDMO O=C1CNC(=O)N1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078923776 611925876 /nfs/dbraw/zinc/92/58/76/611925876.db2.gz DPFJPUSKTOXSKW-UHFFFAOYSA-N 1 1 333.348 0.269 20 5 ECBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164668932 719482350 /nfs/dbraw/zinc/48/23/50/719482350.db2.gz RQMHWXZOBGPIIH-MNOVXSKESA-N 1 1 336.352 0.171 20 5 ECBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966991 722073644 /nfs/dbraw/zinc/07/36/44/722073644.db2.gz IMJWKJOWDRDNQA-OKILXGFUSA-N 1 1 334.376 0.836 20 5 ECBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966991 722073645 /nfs/dbraw/zinc/07/36/45/722073645.db2.gz IMJWKJOWDRDNQA-OKILXGFUSA-N 1 1 334.376 0.836 20 5 ECBDMO CC(C)(C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC000973254935 738980302 /nfs/dbraw/zinc/98/03/02/738980302.db2.gz QDJZAECWDCKVSH-FDYHWXHSSA-N 1 1 338.408 0.289 20 5 ECBDMO O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980677261 749962055 /nfs/dbraw/zinc/96/20/55/749962055.db2.gz JXAXPRFSNUBLQY-UHFFFAOYSA-N 1 1 345.363 0.316 20 5 ECBDMO O=C(Cn1cnnn1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000980677261 749962060 /nfs/dbraw/zinc/96/20/60/749962060.db2.gz JXAXPRFSNUBLQY-UHFFFAOYSA-N 1 1 345.363 0.316 20 5 ECBDMO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001126942805 756907185 /nfs/dbraw/zinc/90/71/85/756907185.db2.gz HOCLDKVNXIEGLR-TZMCWYRMSA-N 1 1 334.376 0.613 20 5 ECBDMO COc1ncccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814517 757083494 /nfs/dbraw/zinc/08/34/94/757083494.db2.gz OUHGVCOGNWWPMG-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1ncccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814517 757083503 /nfs/dbraw/zinc/08/35/03/757083503.db2.gz OUHGVCOGNWWPMG-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1ncccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814517 757083506 /nfs/dbraw/zinc/08/35/06/757083506.db2.gz OUHGVCOGNWWPMG-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)NC/C=C\CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107200740 757592936 /nfs/dbraw/zinc/59/29/36/757592936.db2.gz SJXZXSBQUZROSB-IHWYPQMZSA-N 1 1 346.347 0.985 20 5 ECBDMO CC(C)c1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)nn1C ZINC001126990134 759084426 /nfs/dbraw/zinc/08/44/26/759084426.db2.gz ONBQSZQWAVXDHE-UHFFFAOYSA-N 1 1 349.395 0.705 20 5 ECBDMO Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050326289 760131631 /nfs/dbraw/zinc/13/16/31/760131631.db2.gz WBUHMFASVPPJSX-HKUMRIAESA-N 1 1 337.380 0.808 20 5 ECBDMO Cn1nccc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516713 760411468 /nfs/dbraw/zinc/41/14/68/760411468.db2.gz HGXUROJYMBOAHI-ZIAGYGMSSA-N 1 1 333.392 0.510 20 5 ECBDMO O=C(CCCF)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055614664 769260634 /nfs/dbraw/zinc/26/06/34/769260634.db2.gz GKMZZGVQFQGLIN-CHWSQXEVSA-N 1 1 344.387 0.098 20 5 ECBDMO C[NH+](C)Cc1ccccc1C(=O)NC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000993878140 769776182 /nfs/dbraw/zinc/77/61/82/769776182.db2.gz MXRFHYATSDHERP-HUUCEWRRSA-N 1 1 346.387 0.354 20 5 ECBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079746823 776793155 /nfs/dbraw/zinc/79/31/55/776793155.db2.gz JRCGQRIDUAPIPI-CHWSQXEVSA-N 1 1 340.424 0.441 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001079746823 776793157 /nfs/dbraw/zinc/79/31/57/776793157.db2.gz JRCGQRIDUAPIPI-CHWSQXEVSA-N 1 1 340.424 0.441 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001079746823 776793159 /nfs/dbraw/zinc/79/31/59/776793159.db2.gz JRCGQRIDUAPIPI-CHWSQXEVSA-N 1 1 340.424 0.441 20 5 ECBDMO CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)nnn2C ZINC001266391070 835799056 /nfs/dbraw/zinc/79/90/56/835799056.db2.gz YGMMPEDQIHYMLU-IUODEOHRSA-N 1 1 346.391 0.572 20 5 ECBDMO CC[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2c(c1)nnn2C ZINC001266391070 835799063 /nfs/dbraw/zinc/79/90/63/835799063.db2.gz YGMMPEDQIHYMLU-IUODEOHRSA-N 1 1 346.391 0.572 20 5 ECBDMO CC[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2c(c1)nnn2C ZINC001266391070 835799070 /nfs/dbraw/zinc/79/90/70/835799070.db2.gz YGMMPEDQIHYMLU-IUODEOHRSA-N 1 1 346.391 0.572 20 5 ECBDMO O=C(C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)Nc1ccc(O)cc1 ZINC001266591171 836022181 /nfs/dbraw/zinc/02/21/81/836022181.db2.gz BCXPSDVEIUMTFV-HBJVGIJOSA-N 1 1 348.359 0.233 20 5 ECBDMO O=C([C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000174843838 231323458 /nfs/dbraw/zinc/32/34/58/231323458.db2.gz SCPVYVROUKFBDQ-CQSZACIVSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCOCC1 ZINC000174843838 231323462 /nfs/dbraw/zinc/32/34/62/231323462.db2.gz SCPVYVROUKFBDQ-CQSZACIVSA-N 1 1 337.380 0.505 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000160248861 529846090 /nfs/dbraw/zinc/84/60/90/529846090.db2.gz HRWYLVFNOMTPIK-UHFFFAOYSA-N 1 1 339.396 0.608 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000192920441 239941355 /nfs/dbraw/zinc/94/13/55/239941355.db2.gz SRCOJNDUGRSGOL-PHIMTYICSA-N 1 1 341.389 0.786 20 5 ECBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000083245772 217540023 /nfs/dbraw/zinc/54/00/23/217540023.db2.gz IYLMRXVACJSMBC-OAHLLOKOSA-N 1 1 339.392 0.599 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266270625 248214760 /nfs/dbraw/zinc/21/47/60/248214760.db2.gz RCMXFZBKQWLJCM-NSHDSACASA-N 1 1 335.364 0.247 20 5 ECBDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451263145 211372620 /nfs/dbraw/zinc/37/26/20/211372620.db2.gz HQCBBYDAXCVNSN-QWHCGFSZSA-N 1 1 328.369 0.672 20 5 ECBDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451263145 211372622 /nfs/dbraw/zinc/37/26/22/211372622.db2.gz HQCBBYDAXCVNSN-QWHCGFSZSA-N 1 1 328.369 0.672 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000444385223 211075718 /nfs/dbraw/zinc/07/57/18/211075718.db2.gz ARSOFVBMGSEEEY-LLVKDONJSA-N 1 1 325.369 0.051 20 5 ECBDMO C[C@H](CO)[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000411606259 208122187 /nfs/dbraw/zinc/12/21/87/208122187.db2.gz BIYMXEDQSWLRQW-NEPJUHHUSA-N 1 1 325.365 0.987 20 5 ECBDMO CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006564 208385827 /nfs/dbraw/zinc/38/58/27/208385827.db2.gz QIORJXTUOVZSOH-YPMHNXCESA-N 1 1 334.376 0.924 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414143452 208394239 /nfs/dbraw/zinc/39/42/39/208394239.db2.gz LOSKJHHPXWSTTQ-NQBHXWOUSA-N 1 1 325.365 0.535 20 5 ECBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000247977406 165167896 /nfs/dbraw/zinc/16/78/96/165167896.db2.gz HXYHKEUADOBBCY-TZMCWYRMSA-N 1 1 334.376 0.699 20 5 ECBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248446848 165175547 /nfs/dbraw/zinc/17/55/47/165175547.db2.gz HBRAQHCPSXDJSP-QWHCGFSZSA-N 1 1 337.376 0.922 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248461958 165179029 /nfs/dbraw/zinc/17/90/29/165179029.db2.gz PLYWAYMVIWOINA-QWHCGFSZSA-N 1 1 337.376 0.793 20 5 ECBDMO COc1cc(CCNC(=O)[C@H]2COCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000262619495 165369226 /nfs/dbraw/zinc/36/92/26/165369226.db2.gz MVQVMXZHMFXMTR-LLVKDONJSA-N 1 1 339.348 0.259 20 5 ECBDMO CNc1cc2c(nn1)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000610336537 421221653 /nfs/dbraw/zinc/22/16/53/421221653.db2.gz ZGOJGQJWBQPCJQ-GFCCVEGCSA-N 1 1 333.352 0.042 20 5 ECBDMO CNc1cc2c(nn1)CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000610336537 421221654 /nfs/dbraw/zinc/22/16/54/421221654.db2.gz ZGOJGQJWBQPCJQ-GFCCVEGCSA-N 1 1 333.352 0.042 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193537970 263167299 /nfs/dbraw/zinc/16/72/99/263167299.db2.gz QJMTWKDXTSNBSC-UHFFFAOYSA-N 1 1 334.376 0.418 20 5 ECBDMO CNS(=O)(=O)C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269673329 263195952 /nfs/dbraw/zinc/19/59/52/263195952.db2.gz VJWMOILMQPGXGN-CQSZACIVSA-N 1 1 343.405 0.642 20 5 ECBDMO CCC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CCOC ZINC000270939761 263287129 /nfs/dbraw/zinc/28/71/29/263287129.db2.gz JHFDYISCRRVOGG-CYBMUJFWSA-N 1 1 339.396 0.751 20 5 ECBDMO CCc1[nH]nc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)c1[N+](=O)[O-] ZINC000271003708 263292362 /nfs/dbraw/zinc/29/23/62/263292362.db2.gz GEOLYEXZOMUXBY-ZJUUUORDSA-N 1 1 327.410 0.998 20 5 ECBDMO CC(=O)N1CCN(C(=O)C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271691814 263323617 /nfs/dbraw/zinc/32/36/17/263323617.db2.gz FLBKZWCBZVZPPD-GFCCVEGCSA-N 1 1 334.376 0.936 20 5 ECBDMO C[NH+]1CCN(C(=O)CCn2cnc3ccc([N+](=O)[O-])cc3c2=O)CC1 ZINC000282943723 264071645 /nfs/dbraw/zinc/07/16/45/264071645.db2.gz HLFUBJAZTCVTEJ-UHFFFAOYSA-N 1 1 345.359 0.469 20 5 ECBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000337448012 297189086 /nfs/dbraw/zinc/18/90/86/297189086.db2.gz MDGJJUKLMSFMAS-LLVKDONJSA-N 1 1 341.364 0.871 20 5 ECBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000337448012 297189087 /nfs/dbraw/zinc/18/90/87/297189087.db2.gz MDGJJUKLMSFMAS-LLVKDONJSA-N 1 1 341.364 0.871 20 5 ECBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000337712574 297208079 /nfs/dbraw/zinc/20/80/79/297208079.db2.gz OLYMKEIQPOZYHB-AWEZNQCLSA-N 1 1 344.375 0.911 20 5 ECBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000337712574 297208082 /nfs/dbraw/zinc/20/80/82/297208082.db2.gz OLYMKEIQPOZYHB-AWEZNQCLSA-N 1 1 344.375 0.911 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346643484 298310828 /nfs/dbraw/zinc/31/08/28/298310828.db2.gz LRECZWHOHDGXDD-YUDUHTQSSA-N 1 1 349.387 0.920 20 5 ECBDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580983 300108326 /nfs/dbraw/zinc/10/83/26/300108326.db2.gz DWUJKFQGCWLAER-DOMZBBRYSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580983 300108329 /nfs/dbraw/zinc/10/83/29/300108329.db2.gz DWUJKFQGCWLAER-DOMZBBRYSA-N 1 1 349.387 0.956 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000365822542 300486952 /nfs/dbraw/zinc/48/69/52/300486952.db2.gz DQKVSFYXADCQOZ-UHFFFAOYSA-N 1 1 337.380 0.553 20 5 ECBDMO CC[NH+]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000070870435 435995643 /nfs/dbraw/zinc/99/56/43/435995643.db2.gz YHKJZXLWTMTIIY-UHFFFAOYSA-N 1 1 330.348 0.953 20 5 ECBDMO O=C(NC1CC1)c1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000073868086 436096701 /nfs/dbraw/zinc/09/67/01/436096701.db2.gz FWNYLJXRFUXGQB-UHFFFAOYSA-N 1 1 334.376 0.601 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375325730 301168002 /nfs/dbraw/zinc/16/80/02/301168002.db2.gz AFCRTIHZZCZZOJ-QWHCGFSZSA-N 1 1 333.348 0.873 20 5 ECBDMO O=C1CCC(=O)N1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000028081282 436185599 /nfs/dbraw/zinc/18/55/99/436185599.db2.gz GVHDCAXBACMHEY-UHFFFAOYSA-N 1 1 332.360 0.866 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269817 436196535 /nfs/dbraw/zinc/19/65/35/436196535.db2.gz PIFGVWJYQOERMZ-JTQLQIEISA-N 1 1 337.384 0.322 20 5 ECBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000390221082 301452294 /nfs/dbraw/zinc/45/22/94/301452294.db2.gz NHNXMCHWTBQBSB-VIFPVBQESA-N 1 1 333.341 0.391 20 5 ECBDMO NC(=O)c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000078404158 436266058 /nfs/dbraw/zinc/26/60/58/436266058.db2.gz XGFHUABQBWMQLE-GFCCVEGCSA-N 1 1 334.376 0.852 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000048317204 436449813 /nfs/dbraw/zinc/44/98/13/436449813.db2.gz DBSSQULMUXUEPR-PHIMTYICSA-N 1 1 340.384 0.190 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000048317204 436449817 /nfs/dbraw/zinc/44/98/17/436449817.db2.gz DBSSQULMUXUEPR-PHIMTYICSA-N 1 1 340.384 0.190 20 5 ECBDMO CC(C)(O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000530938846 302036317 /nfs/dbraw/zinc/03/63/17/302036317.db2.gz FPAZLAPPEIPMHN-AWEZNQCLSA-N 1 1 342.396 0.404 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114645127 436642581 /nfs/dbraw/zinc/64/25/81/436642581.db2.gz HOTMBWSYVFAMME-AWEZNQCLSA-N 1 1 344.375 0.967 20 5 ECBDMO O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3ncccn3)CC2)nc1 ZINC000273160431 436734108 /nfs/dbraw/zinc/73/41/08/436734108.db2.gz KFZCPLZHJVEACV-UHFFFAOYSA-N 1 1 344.379 0.799 20 5 ECBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC ZINC000273159979 436734934 /nfs/dbraw/zinc/73/49/34/436734934.db2.gz NKPYGHKKJHYVBV-UHFFFAOYSA-N 1 1 345.377 0.611 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000068178624 436737007 /nfs/dbraw/zinc/73/70/07/436737007.db2.gz RXPXCSUVBNIRCL-CYBMUJFWSA-N 1 1 339.396 0.573 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247220029 436789606 /nfs/dbraw/zinc/78/96/06/436789606.db2.gz YKWNAETVHSSBEJ-DGCLKSJQSA-N 1 1 340.380 0.816 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000274399043 436822074 /nfs/dbraw/zinc/82/20/74/436822074.db2.gz MKIWFIKZEAUOOY-UHFFFAOYSA-N 1 1 345.421 0.371 20 5 ECBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCN1CCOC(C)(C)C1 ZINC000279761512 436838381 /nfs/dbraw/zinc/83/83/81/436838381.db2.gz RLNOPTWVDPBQQJ-UHFFFAOYSA-N 1 1 338.408 0.799 20 5 ECBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)CC[N@@H+]1CCOC(C)(C)C1 ZINC000279761512 436838387 /nfs/dbraw/zinc/83/83/87/436838387.db2.gz RLNOPTWVDPBQQJ-UHFFFAOYSA-N 1 1 338.408 0.799 20 5 ECBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)CC[N@H+]1CCOC(C)(C)C1 ZINC000279761512 436838388 /nfs/dbraw/zinc/83/83/88/436838388.db2.gz RLNOPTWVDPBQQJ-UHFFFAOYSA-N 1 1 338.408 0.799 20 5 ECBDMO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000249545180 436823466 /nfs/dbraw/zinc/82/34/66/436823466.db2.gz GBEMVHVKQROODH-DZGCQCFKSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000249545180 436823472 /nfs/dbraw/zinc/82/34/72/436823472.db2.gz GBEMVHVKQROODH-DZGCQCFKSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000249545180 436823473 /nfs/dbraw/zinc/82/34/73/436823473.db2.gz GBEMVHVKQROODH-DZGCQCFKSA-N 1 1 339.392 0.333 20 5 ECBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135560073 436917872 /nfs/dbraw/zinc/91/78/72/436917872.db2.gz NTLHIWBYVTUBJW-GXTWGEPZSA-N 1 1 334.380 0.895 20 5 ECBDMO O=C1NCC[C@@H]1[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274819070 436877684 /nfs/dbraw/zinc/87/76/84/436877684.db2.gz JLTFXKFLNPVVTH-AWEZNQCLSA-N 1 1 344.375 0.872 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000274919906 436893848 /nfs/dbraw/zinc/89/38/48/436893848.db2.gz XCUDRFCXHXEFEP-PHIMTYICSA-N 1 1 338.364 0.925 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H](O)C1 ZINC000295707080 436978213 /nfs/dbraw/zinc/97/82/13/436978213.db2.gz UKRABSJSIZNBAQ-GFCCVEGCSA-N 1 1 339.348 0.625 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000264467077 437033421 /nfs/dbraw/zinc/03/34/21/437033421.db2.gz FRVXGMNPLNPXKY-LBPRGKRZSA-N 1 1 325.369 0.327 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000264466879 437033542 /nfs/dbraw/zinc/03/35/42/437033542.db2.gz FOWSLWMCHKMAFP-JTQLQIEISA-N 1 1 326.328 0.767 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275555419 436983602 /nfs/dbraw/zinc/98/36/02/436983602.db2.gz IEVWSYLAPUGBNX-VIFPVBQESA-N 1 1 325.369 0.544 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000275555419 436983605 /nfs/dbraw/zinc/98/36/05/436983605.db2.gz IEVWSYLAPUGBNX-VIFPVBQESA-N 1 1 325.369 0.544 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296350372 436990212 /nfs/dbraw/zinc/99/02/12/436990212.db2.gz DVAZFLCLHFAMJN-ZDUSSCGKSA-N 1 1 336.392 0.970 20 5 ECBDMO O=C([C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000176227672 437134226 /nfs/dbraw/zinc/13/42/26/437134226.db2.gz VGPKRCHBGVRSHH-ZDUSSCGKSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000176227672 437134229 /nfs/dbraw/zinc/13/42/29/437134229.db2.gz VGPKRCHBGVRSHH-ZDUSSCGKSA-N 1 1 337.380 0.505 20 5 ECBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276919291 437176504 /nfs/dbraw/zinc/17/65/04/437176504.db2.gz RHLVCKVWXSUKOX-DFBGVHRSSA-N 1 1 326.349 0.680 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1[N+](=O)[O-] ZINC000278273467 437299338 /nfs/dbraw/zinc/29/93/38/437299338.db2.gz OLJIFTMGQZUSEW-JTQLQIEISA-N 1 1 338.368 0.086 20 5 ECBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289881811 437446437 /nfs/dbraw/zinc/44/64/37/437446437.db2.gz RJJWNBFXRMODFK-SECBINFHSA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289881811 437446441 /nfs/dbraw/zinc/44/64/41/437446441.db2.gz RJJWNBFXRMODFK-SECBINFHSA-N 1 1 331.756 0.862 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291164281 437566165 /nfs/dbraw/zinc/56/61/65/437566165.db2.gz QHKANWZVUHFTDG-UHFFFAOYSA-N 1 1 338.412 0.408 20 5 ECBDMO CN(CCCN(C)c1nccc(C(N)=O)c1[N+](=O)[O-])CC[NH+](C)C ZINC000291164281 437566169 /nfs/dbraw/zinc/56/61/69/437566169.db2.gz QHKANWZVUHFTDG-UHFFFAOYSA-N 1 1 338.412 0.408 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000343721017 437637048 /nfs/dbraw/zinc/63/70/48/437637048.db2.gz BZUODEFQXLNIKO-NWDGAFQWSA-N 1 1 328.390 0.744 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCSC[C@H]1CO ZINC000343721026 437638342 /nfs/dbraw/zinc/63/83/42/437638342.db2.gz BZUODEFQXLNIKO-VXGBXAGGSA-N 1 1 328.390 0.744 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000360734839 437639229 /nfs/dbraw/zinc/63/92/29/437639229.db2.gz FKAGKFLZGRBTHW-TXEJJXNPSA-N 1 1 339.396 0.948 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192915563 437697277 /nfs/dbraw/zinc/69/72/77/437697277.db2.gz ZLZMWMWDZWWUMX-OKILXGFUSA-N 1 1 339.417 0.961 20 5 ECBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356144109 437751712 /nfs/dbraw/zinc/75/17/12/437751712.db2.gz DFDOUUWBLJEAPT-UHFFFAOYSA-N 1 1 338.412 0.476 20 5 ECBDMO CN(C)c1ncc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000356196547 437753460 /nfs/dbraw/zinc/75/34/60/437753460.db2.gz BXKZPBQAIQSYDJ-CYBMUJFWSA-N 1 1 335.368 0.140 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364925445 437826788 /nfs/dbraw/zinc/82/67/88/437826788.db2.gz ZHYHETCGHDHLII-LBPRGKRZSA-N 1 1 325.369 0.097 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000371854180 438002493 /nfs/dbraw/zinc/00/24/93/438002493.db2.gz WAMBILFZORHVKI-QWHCGFSZSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000371854180 438002498 /nfs/dbraw/zinc/00/24/98/438002498.db2.gz WAMBILFZORHVKI-QWHCGFSZSA-N 1 1 341.389 0.736 20 5 ECBDMO CCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ncc[nH]1 ZINC000348413973 438058166 /nfs/dbraw/zinc/05/81/66/438058166.db2.gz SWTMLCIWFGELEG-KBPBESRZSA-N 1 1 349.395 0.254 20 5 ECBDMO CCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ncc[nH]1 ZINC000348413973 438058172 /nfs/dbraw/zinc/05/81/72/438058172.db2.gz SWTMLCIWFGELEG-KBPBESRZSA-N 1 1 349.395 0.254 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000358044484 438129655 /nfs/dbraw/zinc/12/96/55/438129655.db2.gz IRBCDWFDYRFDMN-HNNXBMFYSA-N 1 1 337.332 0.162 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358060836 438138100 /nfs/dbraw/zinc/13/81/00/438138100.db2.gz GEHBPCVOGKQCHO-MRXNPFEDSA-N 1 1 345.359 0.577 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000358067629 438140116 /nfs/dbraw/zinc/14/01/16/438140116.db2.gz QDSYDSGFEFYYDE-MRXNPFEDSA-N 1 1 332.360 0.732 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000358190591 438178432 /nfs/dbraw/zinc/17/84/32/438178432.db2.gz CMDYZSGATHNKRN-AWEZNQCLSA-N 1 1 343.405 0.123 20 5 ECBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000367018850 438155434 /nfs/dbraw/zinc/15/54/34/438155434.db2.gz DAQIDYBYCOLVQT-JSGCOSHPSA-N 1 1 334.376 0.747 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374829935 438232762 /nfs/dbraw/zinc/23/27/62/438232762.db2.gz PVELPOWZSUUFBO-ZJUUUORDSA-N 1 1 338.339 0.909 20 5 ECBDMO C[N@@H+]1CC[C@](O)(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306553 438197362 /nfs/dbraw/zinc/19/73/62/438197362.db2.gz HLBGWAGMZFYARZ-ZDUSSCGKSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000358306553 438197366 /nfs/dbraw/zinc/19/73/66/438197366.db2.gz HLBGWAGMZFYARZ-ZDUSSCGKSA-N 1 1 329.378 0.477 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406794 438327095 /nfs/dbraw/zinc/32/70/95/438327095.db2.gz HMFRNGNUWJWLCP-TZMCWYRMSA-N 1 1 337.380 0.676 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406794 438327097 /nfs/dbraw/zinc/32/70/97/438327097.db2.gz HMFRNGNUWJWLCP-TZMCWYRMSA-N 1 1 337.380 0.676 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368811959 438382976 /nfs/dbraw/zinc/38/29/76/438382976.db2.gz CWDJTWRRPHAHBG-NWDGAFQWSA-N 1 1 341.389 0.736 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369472476 438479910 /nfs/dbraw/zinc/47/99/10/438479910.db2.gz SROLLHJGRXPAEP-ZDUSSCGKSA-N 1 1 334.332 0.552 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369472476 438479915 /nfs/dbraw/zinc/47/99/15/438479915.db2.gz SROLLHJGRXPAEP-ZDUSSCGKSA-N 1 1 334.332 0.552 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420974992 438453868 /nfs/dbraw/zinc/45/38/68/438453868.db2.gz NLCLYYFPWUSAPY-BXUZGUMPSA-N 1 1 332.360 0.768 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000450775568 438693853 /nfs/dbraw/zinc/69/38/53/438693853.db2.gz GAQKVAXXMVIKCQ-SKDRFNHKSA-N 1 1 326.378 0.383 20 5 ECBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455506589 438747706 /nfs/dbraw/zinc/74/77/06/438747706.db2.gz DVNLMIXIAQWPEM-LLVKDONJSA-N 1 1 337.380 0.560 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCOC[C@@H]4C3)cc2n(C)c1=O ZINC000588016738 438813304 /nfs/dbraw/zinc/81/33/04/438813304.db2.gz XAYJJSWKHULYNM-NSHDSACASA-N 1 1 347.375 0.306 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[N@H+]4CCOC[C@@H]4C3)cc2n(C)c1=O ZINC000588016738 438813312 /nfs/dbraw/zinc/81/33/12/438813312.db2.gz XAYJJSWKHULYNM-NSHDSACASA-N 1 1 347.375 0.306 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067614 438816544 /nfs/dbraw/zinc/81/65/44/438816544.db2.gz CLHOVXYHZVPTIO-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000595662489 438843746 /nfs/dbraw/zinc/84/37/46/438843746.db2.gz NWYWJNNHZJFBNL-JIMOISOXSA-N 1 1 337.332 0.842 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1[N+](=O)[O-] ZINC000590053189 438900243 /nfs/dbraw/zinc/90/02/43/438900243.db2.gz QKFDIPSEGDAKQJ-ITGUQSILSA-N 1 1 336.344 0.817 20 5 ECBDMO CNc1nccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000564224815 438873150 /nfs/dbraw/zinc/87/31/50/438873150.db2.gz QFDZRLPQMYYZSA-NSHDSACASA-N 1 1 337.380 0.608 20 5 ECBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000564957690 438894146 /nfs/dbraw/zinc/89/41/46/438894146.db2.gz YUKRGBLDXOTUAZ-HNNXBMFYSA-N 1 1 348.338 0.949 20 5 ECBDMO Nc1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)nc1[N+](=O)[O-] ZINC000596090544 438925526 /nfs/dbraw/zinc/92/55/26/438925526.db2.gz XOIBFBYSOLGGLK-CQSZACIVSA-N 1 1 339.421 1.192 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590447546 438925834 /nfs/dbraw/zinc/92/58/34/438925834.db2.gz YUZOVHOGOBOMBH-DZGCQCFKSA-N 1 1 346.387 0.877 20 5 ECBDMO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596122103 438928454 /nfs/dbraw/zinc/92/84/54/438928454.db2.gz RPMGPUQILPRBGA-UHFFFAOYSA-N 1 1 335.408 0.767 20 5 ECBDMO [NH3+][C@@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516877461 438931642 /nfs/dbraw/zinc/93/16/42/438931642.db2.gz GFCOVMUYRCAJIL-NEPJUHHUSA-N 1 1 342.421 0.733 20 5 ECBDMO C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000596167005 438934458 /nfs/dbraw/zinc/93/44/58/438934458.db2.gz ASMSQTMJGAVDJN-JOYOIKCWSA-N 1 1 344.393 0.373 20 5 ECBDMO C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000596167005 438934464 /nfs/dbraw/zinc/93/44/64/438934464.db2.gz ASMSQTMJGAVDJN-JOYOIKCWSA-N 1 1 344.393 0.373 20 5 ECBDMO NS(=O)(=O)c1ccc(NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000590584918 438936117 /nfs/dbraw/zinc/93/61/17/438936117.db2.gz XUOAVKJDHMUYPZ-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000459519387 438971707 /nfs/dbraw/zinc/97/17/07/438971707.db2.gz YBGQYNWDMGHYNS-GASCZTMLSA-N 1 1 347.419 0.975 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000459519387 438971712 /nfs/dbraw/zinc/97/17/12/438971712.db2.gz YBGQYNWDMGHYNS-GASCZTMLSA-N 1 1 347.419 0.975 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000566722313 439082336 /nfs/dbraw/zinc/08/23/36/439082336.db2.gz RXCUQMSHSZLYGB-ZDUSSCGKSA-N 1 1 326.378 0.706 20 5 ECBDMO COc1cc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c([N+](=O)[O-])cc1O ZINC000580718891 439122731 /nfs/dbraw/zinc/12/27/31/439122731.db2.gz GHCKGVVTNGVENO-SNVBAGLBSA-N 1 1 345.377 0.433 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000597624802 439141149 /nfs/dbraw/zinc/14/11/49/439141149.db2.gz LIBRUQCCZWFWLG-ZDUSSCGKSA-N 1 1 334.376 0.723 20 5 ECBDMO COc1cc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597624795 439141956 /nfs/dbraw/zinc/14/19/56/439141956.db2.gz KZUXCXLJWDAXAI-ZDUSSCGKSA-N 1 1 334.376 0.723 20 5 ECBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592184945 439174323 /nfs/dbraw/zinc/17/43/23/439174323.db2.gz MWWVPXLRKFUWCC-LLVKDONJSA-N 1 1 335.286 0.792 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598451844 439263818 /nfs/dbraw/zinc/26/38/18/439263818.db2.gz DCESSLLXXHTIST-CQSZACIVSA-N 1 1 334.376 0.969 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598901625 439324271 /nfs/dbraw/zinc/32/42/71/439324271.db2.gz AWILILAIWNMGCT-BXUZGUMPSA-N 1 1 347.375 0.879 20 5 ECBDMO C[N@@H+]1CC=C(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598614203 439288766 /nfs/dbraw/zinc/28/87/66/439288766.db2.gz PLXJLTMEDSRXSA-UHFFFAOYSA-N 1 1 334.380 0.895 20 5 ECBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1c[nH]nc1[N+](=O)[O-] ZINC000598738031 439309603 /nfs/dbraw/zinc/30/96/03/439309603.db2.gz MONJGCLDJQCCTN-CYBMUJFWSA-N 1 1 345.359 0.467 20 5 ECBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599107724 439359842 /nfs/dbraw/zinc/35/98/42/439359842.db2.gz RRHVGEPBSXIOFX-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO COc1cc(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000599003926 439341942 /nfs/dbraw/zinc/34/19/42/439341942.db2.gz MOIOZKFUZXXEDW-PSASIEDQSA-N 1 1 330.362 0.974 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH3+])cc2F)n1 ZINC000599097289 439355644 /nfs/dbraw/zinc/35/56/44/439355644.db2.gz APTQCQTWOIYFJF-UHFFFAOYSA-N 1 1 343.340 0.405 20 5 ECBDMO O=c1[nH]c(N2CC([N@H+]3CC[C@@H](O)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000593505559 439389838 /nfs/dbraw/zinc/38/98/38/439389838.db2.gz XTIQHKQCEFFKGB-LLVKDONJSA-N 1 1 331.332 0.499 20 5 ECBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000593560468 439404769 /nfs/dbraw/zinc/40/47/69/439404769.db2.gz OUVXKIWWTMGHRX-VHSXEESVSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000593560468 439404774 /nfs/dbraw/zinc/40/47/74/439404774.db2.gz OUVXKIWWTMGHRX-VHSXEESVSA-N 1 1 326.378 0.893 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593505242 439388598 /nfs/dbraw/zinc/38/85/98/439388598.db2.gz VEAYYKTUKBAMOU-GFCCVEGCSA-N 1 1 335.360 0.945 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593505242 439388606 /nfs/dbraw/zinc/38/86/06/439388606.db2.gz VEAYYKTUKBAMOU-GFCCVEGCSA-N 1 1 335.360 0.945 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855962 439478869 /nfs/dbraw/zinc/47/88/69/439478869.db2.gz SGPWSHWRVJJANY-LLVKDONJSA-N 1 1 331.332 0.362 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855962 439478875 /nfs/dbraw/zinc/47/88/75/439478875.db2.gz SGPWSHWRVJJANY-LLVKDONJSA-N 1 1 331.332 0.362 20 5 ECBDMO CN1CCN(C[C@@H](O)C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583626400 439491196 /nfs/dbraw/zinc/49/11/96/439491196.db2.gz QGPLWPWRIPLBCM-HNNXBMFYSA-N 1 1 338.408 0.172 20 5 ECBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000594017258 439506798 /nfs/dbraw/zinc/50/67/98/439506798.db2.gz ADXOLQYSJHQATN-JTQLQIEISA-N 1 1 326.275 0.663 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000594017258 439506802 /nfs/dbraw/zinc/50/68/02/439506802.db2.gz ADXOLQYSJHQATN-JTQLQIEISA-N 1 1 326.275 0.663 20 5 ECBDMO O=[N+]([O-])c1cc(CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2c(c1)COCO2 ZINC000594025574 439508869 /nfs/dbraw/zinc/50/88/69/439508869.db2.gz JGEYWUIXHLTBSV-LSDHHAIUSA-N 1 1 335.360 0.712 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026647 439509878 /nfs/dbraw/zinc/50/98/78/439509878.db2.gz GKCOVFFLMNZURT-BYCMXARLSA-N 1 1 334.376 0.673 20 5 ECBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000584005046 439539469 /nfs/dbraw/zinc/53/94/69/439539469.db2.gz GHSYAYDWYAYUNP-UHFFFAOYSA-N 1 1 343.405 0.471 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000609171024 439554177 /nfs/dbraw/zinc/55/41/77/439554177.db2.gz IMTMYLPLIQZGGY-LLVKDONJSA-N 1 1 337.380 0.251 20 5 ECBDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000609538806 439574949 /nfs/dbraw/zinc/57/49/49/439574949.db2.gz DAPQYJWTIDSFTQ-UHFFFAOYSA-N 1 1 343.409 0.051 20 5 ECBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599938521 439581321 /nfs/dbraw/zinc/58/13/21/439581321.db2.gz CKHOHOSNAYVOLF-ZIAGYGMSSA-N 1 1 337.351 0.944 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000594747618 439601190 /nfs/dbraw/zinc/60/11/90/439601190.db2.gz CWNHEXIOTSDIIM-JTQLQIEISA-N 1 1 326.378 0.752 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCOCC2)C1 ZINC000600068408 439607398 /nfs/dbraw/zinc/60/73/98/439607398.db2.gz BKVIKGKSYIRWCJ-UHFFFAOYSA-N 1 1 335.360 0.953 20 5 ECBDMO COc1ccc(S(=O)(=O)N(C)CC2C[NH+](C)C2)c([N+](=O)[O-])c1 ZINC000594847887 439629118 /nfs/dbraw/zinc/62/91/18/439629118.db2.gz WLKLFGKNJVSLTI-UHFFFAOYSA-N 1 1 329.378 0.786 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600807558 439703888 /nfs/dbraw/zinc/70/38/88/439703888.db2.gz INXHYDQPGGAGJQ-AWEZNQCLSA-N 1 1 348.403 0.991 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000600807347 439704557 /nfs/dbraw/zinc/70/45/57/439704557.db2.gz AZMKJIZLQIIXJL-LBPRGKRZSA-N 1 1 345.359 0.577 20 5 ECBDMO CC[N@@H+](CCO)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613579968 439759398 /nfs/dbraw/zinc/75/93/98/439759398.db2.gz DNGAMRMYMPKWNC-UHFFFAOYSA-N 1 1 325.365 0.770 20 5 ECBDMO CCN(CCO)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000613579968 439759399 /nfs/dbraw/zinc/75/93/99/439759399.db2.gz DNGAMRMYMPKWNC-UHFFFAOYSA-N 1 1 325.365 0.770 20 5 ECBDMO Cc1c(C(=O)NCC[NH+]2CCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000337622176 320953567 /nfs/dbraw/zinc/95/35/67/320953567.db2.gz PLDSMOYIOOTWDX-UHFFFAOYSA-N 1 1 330.348 0.919 20 5 ECBDMO CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672790 321196247 /nfs/dbraw/zinc/19/62/47/321196247.db2.gz SIYYAARKMPHLBS-NXEZZACHSA-N 1 1 336.352 0.320 20 5 ECBDMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672790 321196249 /nfs/dbraw/zinc/19/62/49/321196249.db2.gz SIYYAARKMPHLBS-NXEZZACHSA-N 1 1 336.352 0.320 20 5 ECBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164742 321217200 /nfs/dbraw/zinc/21/72/00/321217200.db2.gz QAWIUHAFRMWNSM-GUTXKFCHSA-N 1 1 348.403 0.945 20 5 ECBDMO COc1cc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])cc1O ZINC000350766321 321329864 /nfs/dbraw/zinc/32/98/64/321329864.db2.gz AQVZOGYYOONVLN-JTQLQIEISA-N 1 1 346.361 0.212 20 5 ECBDMO COc1ccc(CC(=O)N2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-] ZINC000547985006 322144742 /nfs/dbraw/zinc/14/47/42/322144742.db2.gz GEQUXRXQLPAHDC-LBPRGKRZSA-N 1 1 337.376 0.671 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370488 322271630 /nfs/dbraw/zinc/27/16/30/322271630.db2.gz PUUOUDAVFIQCCK-CYBMUJFWSA-N 1 1 347.375 0.880 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383066 322272054 /nfs/dbraw/zinc/27/20/54/322272054.db2.gz QDTHGGWMGUITQL-DOMZBBRYSA-N 1 1 337.376 0.907 20 5 ECBDMO NC(=O)c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000572511540 322745973 /nfs/dbraw/zinc/74/59/73/322745973.db2.gz DJUSWDXSLAGWRK-JTQLQIEISA-N 1 1 335.316 0.816 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]C2CN(C(C)=O)C2)cc1[N+](=O)[O-] ZINC000575330073 322793921 /nfs/dbraw/zinc/79/39/21/322793921.db2.gz ZYAXOVLYCJJRNR-UHFFFAOYSA-N 1 1 337.332 0.467 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000184339895 528551783 /nfs/dbraw/zinc/55/17/83/528551783.db2.gz DLVJGOHYXCDJCV-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000332463453 536300220 /nfs/dbraw/zinc/30/02/20/536300220.db2.gz QWTNZDOGLVDXRG-UHFFFAOYSA-N 1 1 330.348 0.994 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253030 546311915 /nfs/dbraw/zinc/31/19/15/546311915.db2.gz PQJOMHSFTJUYBI-CHWSQXEVSA-N 1 1 338.339 0.401 20 5 ECBDMO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000619253681 546311944 /nfs/dbraw/zinc/31/19/44/546311944.db2.gz BZTWLCNZIKBFAL-INIZCTEOSA-N 1 1 347.375 1.000 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110244 579347492 /nfs/dbraw/zinc/34/74/92/579347492.db2.gz ZTZGSNVDLMOKCS-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110244 579347493 /nfs/dbraw/zinc/34/74/93/579347493.db2.gz ZTZGSNVDLMOKCS-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO NC(=O)C[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754010157 579410770 /nfs/dbraw/zinc/41/07/70/579410770.db2.gz QQFYXNNOFPXXLY-UHFFFAOYSA-N 1 1 330.348 0.900 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000757511083 579461885 /nfs/dbraw/zinc/46/18/85/579461885.db2.gz KARLAPJACRFSCS-VMPITWQZSA-N 1 1 346.387 0.840 20 5 ECBDMO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000759253052 579488544 /nfs/dbraw/zinc/48/85/44/579488544.db2.gz NBTGJLKBXLGTTL-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000759253052 579488546 /nfs/dbraw/zinc/48/85/46/579488546.db2.gz NBTGJLKBXLGTTL-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000783909777 578747097 /nfs/dbraw/zinc/74/70/97/578747097.db2.gz CMAKXNLHLOAMMS-JTQLQIEISA-N 1 1 348.402 0.145 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000783909797 578747117 /nfs/dbraw/zinc/74/71/17/578747117.db2.gz CMAKXNLHLOAMMS-SNVBAGLBSA-N 1 1 348.402 0.145 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597535 579285763 /nfs/dbraw/zinc/28/57/63/579285763.db2.gz ICXFNQPWHIKQSD-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597535 579285764 /nfs/dbraw/zinc/28/57/64/579285764.db2.gz ICXFNQPWHIKQSD-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597538 579285817 /nfs/dbraw/zinc/28/58/17/579285817.db2.gz ICXFNQPWHIKQSD-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597538 579285818 /nfs/dbraw/zinc/28/58/18/579285818.db2.gz ICXFNQPWHIKQSD-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C[N@@H+]1CCO ZINC000841456190 588988685 /nfs/dbraw/zinc/98/86/85/588988685.db2.gz DQDZTPHUKDZQHD-ZJUUUORDSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C[N@H+]1CCO ZINC000841456190 588988686 /nfs/dbraw/zinc/98/86/86/588988686.db2.gz DQDZTPHUKDZQHD-ZJUUUORDSA-N 1 1 340.355 0.843 20 5 ECBDMO CNc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888997645 586059667 /nfs/dbraw/zinc/05/96/67/586059667.db2.gz GZLNJHSDGGNVDX-UHFFFAOYSA-N 1 1 335.408 0.956 20 5 ECBDMO COc1cccc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896546602 586251714 /nfs/dbraw/zinc/25/17/14/586251714.db2.gz YHXBXQMPRJGOLI-DGCLKSJQSA-N 1 1 336.392 0.968 20 5 ECBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900803934 586665026 /nfs/dbraw/zinc/66/50/26/586665026.db2.gz LGWHPVBDYPTAAU-SWLSCSKDSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000900803934 586665029 /nfs/dbraw/zinc/66/50/29/586665029.db2.gz LGWHPVBDYPTAAU-SWLSCSKDSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000900803934 586665031 /nfs/dbraw/zinc/66/50/31/586665031.db2.gz LGWHPVBDYPTAAU-SWLSCSKDSA-N 1 1 335.408 0.757 20 5 ECBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297903 587866388 /nfs/dbraw/zinc/86/63/88/587866388.db2.gz KCYJMOAMPUXFHI-UONOGXRCSA-N 1 1 337.351 0.944 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516950 587947810 /nfs/dbraw/zinc/94/78/10/587947810.db2.gz HHDQWRMXVCIDJH-RBSFLKMASA-N 1 1 335.360 0.608 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cs1 ZINC000831804667 588450562 /nfs/dbraw/zinc/45/05/62/588450562.db2.gz LACKXCPVJZUETP-JTQLQIEISA-N 1 1 349.434 0.781 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cs1 ZINC000831804667 588450564 /nfs/dbraw/zinc/45/05/64/588450564.db2.gz LACKXCPVJZUETP-JTQLQIEISA-N 1 1 349.434 0.781 20 5 ECBDMO COC(=O)CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCOCC1 ZINC000878152502 590501873 /nfs/dbraw/zinc/50/18/73/590501873.db2.gz IGMAJPORGIKGOL-UHFFFAOYSA-N 1 1 326.353 0.872 20 5 ECBDMO Cn1ncc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)n1 ZINC000946589153 611356428 /nfs/dbraw/zinc/35/64/28/611356428.db2.gz ISNNDQGLRZTZTR-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@]2(C)C1 ZINC000913288973 609661947 /nfs/dbraw/zinc/66/19/47/609661947.db2.gz RGCSBGXBJLMGKH-IYBDPMFKSA-N 1 1 334.376 0.557 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000919854237 609664740 /nfs/dbraw/zinc/66/47/40/609664740.db2.gz VBRFCUSBILGWJM-WDEREUQCSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000919854237 609664741 /nfs/dbraw/zinc/66/47/41/609664741.db2.gz VBRFCUSBILGWJM-WDEREUQCSA-N 1 1 326.378 0.847 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000920023118 609671571 /nfs/dbraw/zinc/67/15/71/609671571.db2.gz XSHYRJPYOXHKJL-BXUZGUMPSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000920023118 609671573 /nfs/dbraw/zinc/67/15/73/609671573.db2.gz XSHYRJPYOXHKJL-BXUZGUMPSA-N 1 1 342.421 0.507 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053531 609697468 /nfs/dbraw/zinc/69/74/68/609697468.db2.gz AZCKXYUSFUEBCM-VXGBXAGGSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053531 609697470 /nfs/dbraw/zinc/69/74/70/609697470.db2.gz AZCKXYUSFUEBCM-VXGBXAGGSA-N 1 1 325.369 0.612 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000913684999 609812341 /nfs/dbraw/zinc/81/23/41/609812341.db2.gz WRSAMPFREQYPGX-KBPBESRZSA-N 1 1 342.359 0.672 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@@H]2CO)c1 ZINC000912747343 609999773 /nfs/dbraw/zinc/99/97/73/609999773.db2.gz HEEXGIODMUIXFE-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)C[C@@H]2CO)c1 ZINC000912747343 609999775 /nfs/dbraw/zinc/99/97/75/609999775.db2.gz HEEXGIODMUIXFE-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912749061 610001052 /nfs/dbraw/zinc/00/10/52/610001052.db2.gz NVLYNAZTRCILHI-OAHLLOKOSA-N 1 1 336.392 0.922 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000912749061 610001054 /nfs/dbraw/zinc/00/10/54/610001054.db2.gz NVLYNAZTRCILHI-OAHLLOKOSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000245439418 612587828 /nfs/dbraw/zinc/58/78/28/612587828.db2.gz FUYNAEIDBREUHH-QWHCGFSZSA-N 1 1 349.391 0.723 20 5 ECBDMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000245439418 612587833 /nfs/dbraw/zinc/58/78/33/612587833.db2.gz FUYNAEIDBREUHH-QWHCGFSZSA-N 1 1 349.391 0.723 20 5 ECBDMO CC1CC[NH+](CC(=O)N(C)C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000955106390 612905424 /nfs/dbraw/zinc/90/54/24/612905424.db2.gz AMCMUOPUKGNUBV-ZIAGYGMSSA-N 1 1 338.408 0.053 20 5 ECBDMO CCOC(=O)c1ccnc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000377997512 719473000 /nfs/dbraw/zinc/47/30/00/719473000.db2.gz YQYJYTLZKOWCJE-NWDGAFQWSA-N 1 1 336.348 0.686 20 5 ECBDMO N=c1cc(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001167359625 734007349 /nfs/dbraw/zinc/00/73/49/734007349.db2.gz RCALKKMKMHZHPN-UHFFFAOYSA-N 1 1 341.125 0.115 20 5 ECBDMO Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000997769108 743799796 /nfs/dbraw/zinc/79/97/96/743799796.db2.gz NQSJAFHAQFUVDY-VXGBXAGGSA-N 1 1 339.421 0.840 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997771025 743800885 /nfs/dbraw/zinc/80/08/85/743800885.db2.gz FKZVIMKXGINJIC-VXGBXAGGSA-N 1 1 325.394 0.532 20 5 ECBDMO CCn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000997771935 743801370 /nfs/dbraw/zinc/80/13/70/743801370.db2.gz JLVGLHBUXNMZSM-ZIAGYGMSSA-N 1 1 336.396 0.291 20 5 ECBDMO Cn1nncc1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964638 750117476 /nfs/dbraw/zinc/11/74/76/750117476.db2.gz SOWARJMUCLRQQQ-ZIAGYGMSSA-N 1 1 336.396 0.151 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc(F)cc1F ZINC001126936871 756779587 /nfs/dbraw/zinc/77/95/87/756779587.db2.gz VIUDSUAIJQBDHH-BXKDBHETSA-N 1 1 342.302 0.274 20 5 ECBDMO Cc1nccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812697 757075824 /nfs/dbraw/zinc/07/58/24/757075824.db2.gz NOBVNJUNBGCISK-QVHKTLOISA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1nccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812697 757075836 /nfs/dbraw/zinc/07/58/36/757075836.db2.gz NOBVNJUNBGCISK-QVHKTLOISA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1nccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812697 757075846 /nfs/dbraw/zinc/07/58/46/757075846.db2.gz NOBVNJUNBGCISK-QVHKTLOISA-N 1 1 331.376 0.340 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cc(F)cc(F)c1 ZINC001126948748 757130225 /nfs/dbraw/zinc/13/02/25/757130225.db2.gz HKZNHTOQIQHHKM-VXGBXAGGSA-N 1 1 342.302 0.274 20 5 ECBDMO CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429225 757657453 /nfs/dbraw/zinc/65/74/53/757657453.db2.gz MSWUSSJRGOWORV-CHWSQXEVSA-N 1 1 336.396 0.352 20 5 ECBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2csnn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050326027 760130521 /nfs/dbraw/zinc/13/05/21/760130521.db2.gz QGEFOKWSRKRZSE-FPQZTECRSA-N 1 1 339.421 0.968 20 5 ECBDMO O=C(NCC1=CCN(C(=O)C23CC[NH+](CC2)C3)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001017440362 767989687 /nfs/dbraw/zinc/98/96/87/767989687.db2.gz FNPQUYWCPDCLAY-ZIAGYGMSSA-N 1 1 348.403 0.022 20 5 ECBDMO CN(C(=O)CN1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccccc1 ZINC001031662050 766379726 /nfs/dbraw/zinc/37/97/26/766379726.db2.gz RRIMQBIUTHMFRU-HUUCEWRRSA-N 1 1 346.387 0.363 20 5 ECBDMO C[N@H+](CCNC(=O)CNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267186577 836942148 /nfs/dbraw/zinc/94/21/48/836942148.db2.gz FGHCSPYWMFFXTO-UHFFFAOYSA-N 1 1 334.376 0.669 20 5 ECBDMO C[N@@H+](CCNC(=O)CNC(=O)C1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267186577 836942156 /nfs/dbraw/zinc/94/21/56/836942156.db2.gz FGHCSPYWMFFXTO-UHFFFAOYSA-N 1 1 334.376 0.669 20 5 ECBDMO O=C(NCC1CC1)C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001267695447 838283338 /nfs/dbraw/zinc/28/33/38/838283338.db2.gz WQXWNYJGRKPUTC-UHFFFAOYSA-N 1 1 346.387 0.669 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC000427828078 210221749 /nfs/dbraw/zinc/22/17/49/210221749.db2.gz AVJYHLQVLPXISV-LBPRGKRZSA-N 1 1 337.380 0.606 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000355313318 299237375 /nfs/dbraw/zinc/23/73/75/299237375.db2.gz HEYCESQQMFONCS-QWHCGFSZSA-N 1 1 336.348 0.631 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000193279802 240088479 /nfs/dbraw/zinc/08/84/79/240088479.db2.gz QSUHXCOAAAQELK-MRVPVSSYSA-N 1 1 333.341 0.725 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000459652095 211848777 /nfs/dbraw/zinc/84/87/77/211848777.db2.gz QBQQNWBPJIQAQE-HIFRSBDPSA-N 1 1 326.349 0.154 20 5 ECBDMO CN(C)S(=O)(=O)c1ccc(NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000443890816 211043592 /nfs/dbraw/zinc/04/35/92/211043592.db2.gz CFUHHVOYAPOJFM-UHFFFAOYSA-N 1 1 328.394 0.963 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663026 251234172 /nfs/dbraw/zinc/23/41/72/251234172.db2.gz NFKOMWTYVRTJTJ-OLZOCXBDSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663026 251234177 /nfs/dbraw/zinc/23/41/77/251234177.db2.gz NFKOMWTYVRTJTJ-OLZOCXBDSA-N 1 1 336.348 0.044 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413915227 208375151 /nfs/dbraw/zinc/37/51/51/208375151.db2.gz HFZPKYCZHYYRLS-JTQLQIEISA-N 1 1 327.362 0.833 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413915227 208375154 /nfs/dbraw/zinc/37/51/54/208375154.db2.gz HFZPKYCZHYYRLS-JTQLQIEISA-N 1 1 327.362 0.833 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489893937 254870063 /nfs/dbraw/zinc/87/00/63/254870063.db2.gz XVXAPZFXOADCSV-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000246798093 165142524 /nfs/dbraw/zinc/14/25/24/165142524.db2.gz SNURYBWVCPSVGF-TZMCWYRMSA-N 1 1 335.368 0.156 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248463201 165178775 /nfs/dbraw/zinc/17/87/75/165178775.db2.gz QLGXGRXTKNLHRX-OCCSQVGLSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261699989 165228841 /nfs/dbraw/zinc/22/88/41/165228841.db2.gz OPUCJWGGJLGNOO-LBPRGKRZSA-N 1 1 336.392 0.890 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261699989 165228846 /nfs/dbraw/zinc/22/88/46/165228846.db2.gz OPUCJWGGJLGNOO-LBPRGKRZSA-N 1 1 336.392 0.890 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(=O)NC)CC1 ZINC000301126883 296882582 /nfs/dbraw/zinc/88/25/82/296882582.db2.gz WSQNSISHFWABRJ-UHFFFAOYSA-N 1 1 349.391 0.577 20 5 ECBDMO C[C@](O)(CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+]1CCOCC1 ZINC000302005748 296894073 /nfs/dbraw/zinc/89/40/73/296894073.db2.gz SYTITHLKSXFHCW-AWEZNQCLSA-N 1 1 336.352 0.133 20 5 ECBDMO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000269646164 263194431 /nfs/dbraw/zinc/19/44/31/263194431.db2.gz SNXCONJBDQHCQX-CHWSQXEVSA-N 1 1 336.392 0.993 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000270590406 263254218 /nfs/dbraw/zinc/25/42/18/263254218.db2.gz CBZYLPGVRFPNMR-GFCCVEGCSA-N 1 1 325.369 0.144 20 5 ECBDMO CN(C(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000284830688 264243687 /nfs/dbraw/zinc/24/36/87/264243687.db2.gz MQLGHGURUVWBKB-HOTGVXAUSA-N 1 1 348.403 0.963 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000290759516 264627851 /nfs/dbraw/zinc/62/78/51/264627851.db2.gz ZOUXPTDPEZCVFH-UHFFFAOYSA-N 1 1 340.428 0.523 20 5 ECBDMO CN(CCCN(C)C(=O)CCn1cc([N+](=O)[O-])cn1)CC[NH+](C)C ZINC000290759516 264627852 /nfs/dbraw/zinc/62/78/52/264627852.db2.gz ZOUXPTDPEZCVFH-UHFFFAOYSA-N 1 1 340.428 0.523 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298956092 265307180 /nfs/dbraw/zinc/30/71/80/265307180.db2.gz VSXDEBPCPAHYNS-UHFFFAOYSA-N 1 1 337.380 0.643 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21 ZINC000448557138 277149801 /nfs/dbraw/zinc/14/98/01/277149801.db2.gz SGEICJYYWCBKOI-UGFHNGPFSA-N 1 1 344.371 0.863 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000188711577 278399050 /nfs/dbraw/zinc/39/90/50/278399050.db2.gz LVMJXJPTFARLEP-NSHDSACASA-N 1 1 325.369 0.095 20 5 ECBDMO C[N@@H+](CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000338058452 297237735 /nfs/dbraw/zinc/23/77/35/297237735.db2.gz ZIZIJBHDEXGEAD-UHFFFAOYSA-N 1 1 332.364 0.825 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000338954796 297311507 /nfs/dbraw/zinc/31/15/07/297311507.db2.gz LIRNUDFAAAQLMW-CYBMUJFWSA-N 1 1 334.376 0.912 20 5 ECBDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000339366236 297344013 /nfs/dbraw/zinc/34/40/13/297344013.db2.gz MMQLDQFSGCRRGM-ZDUSSCGKSA-N 1 1 338.364 0.664 20 5 ECBDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000339366236 297344015 /nfs/dbraw/zinc/34/40/15/297344015.db2.gz MMQLDQFSGCRRGM-ZDUSSCGKSA-N 1 1 338.364 0.664 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363759419 300291622 /nfs/dbraw/zinc/29/16/22/300291622.db2.gz VEOGUHKYVRHELM-OLZOCXBDSA-N 1 1 335.360 0.953 20 5 ECBDMO COCCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000364298115 300343595 /nfs/dbraw/zinc/34/35/95/300343595.db2.gz DHJBULYBGUWBQM-UHFFFAOYSA-N 1 1 337.380 0.637 20 5 ECBDMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340095 300347073 /nfs/dbraw/zinc/34/70/73/300347073.db2.gz RJMFZABBNRAABN-JSGCOSHPSA-N 1 1 337.380 0.412 20 5 ECBDMO CN1C(=O)[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000364392752 300352044 /nfs/dbraw/zinc/35/20/44/300352044.db2.gz XMLPCKYXDZPVSM-GFCCVEGCSA-N 1 1 334.332 0.552 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000364392752 300352046 /nfs/dbraw/zinc/35/20/46/300352046.db2.gz XMLPCKYXDZPVSM-GFCCVEGCSA-N 1 1 334.332 0.552 20 5 ECBDMO CN(C)S(=O)(=O)[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375623769 301192484 /nfs/dbraw/zinc/19/24/84/301192484.db2.gz LGOVLQFIIZPKOQ-NSHDSACASA-N 1 1 331.398 0.147 20 5 ECBDMO CN(C)S(=O)(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375623769 301192487 /nfs/dbraw/zinc/19/24/87/301192487.db2.gz LGOVLQFIIZPKOQ-NSHDSACASA-N 1 1 331.398 0.147 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000076460253 436208358 /nfs/dbraw/zinc/20/83/58/436208358.db2.gz PCNDMVLFVLBJQV-JTQLQIEISA-N 1 1 340.405 0.974 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000080894659 436332382 /nfs/dbraw/zinc/33/23/82/436332382.db2.gz ZAJCPWNLFHXSMJ-INIZCTEOSA-N 1 1 337.376 0.716 20 5 ECBDMO O=C1NCCN1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549418 436433107 /nfs/dbraw/zinc/43/31/07/436433107.db2.gz XAINPJKUMCEGCJ-GFCCVEGCSA-N 1 1 335.364 0.246 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000047633004 436427214 /nfs/dbraw/zinc/42/72/14/436427214.db2.gz SAKCNMICMXTJDT-AWEZNQCLSA-N 1 1 337.380 0.505 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000104845779 436566600 /nfs/dbraw/zinc/56/66/00/436566600.db2.gz WZZIGAQJZKFBPT-UHFFFAOYSA-N 1 1 349.391 0.426 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000536986199 302147464 /nfs/dbraw/zinc/14/74/64/302147464.db2.gz UPAAKPDTLPGTDT-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000552654910 302395713 /nfs/dbraw/zinc/39/57/13/302395713.db2.gz JCVNIKKYYUXTCH-UHFFFAOYSA-N 1 1 348.403 0.726 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000067384126 436712196 /nfs/dbraw/zinc/71/21/96/436712196.db2.gz NMAOYEFUXLKUJW-UHFFFAOYSA-N 1 1 340.405 0.787 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000065835832 436673025 /nfs/dbraw/zinc/67/30/25/436673025.db2.gz CRPPGUMZEASFSG-ZDUSSCGKSA-N 1 1 337.380 0.423 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000274530025 436839781 /nfs/dbraw/zinc/83/97/81/436839781.db2.gz ZUSNIZJTTGRILH-UHFFFAOYSA-N 1 1 338.364 0.272 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[NH+]1CCOCC1 ZINC000068997956 302645115 /nfs/dbraw/zinc/64/51/15/302645115.db2.gz URYULOHJUNQBHD-UHFFFAOYSA-N 1 1 325.369 0.328 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000160787639 436879612 /nfs/dbraw/zinc/87/96/12/436879612.db2.gz RQDWRPPCBDCCKG-PHIMTYICSA-N 1 1 325.369 0.557 20 5 ECBDMO CC(C)NS(=O)(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134341875 436895101 /nfs/dbraw/zinc/89/51/01/436895101.db2.gz AHBDECZZCGHAEV-LBPRGKRZSA-N 1 1 331.398 0.193 20 5 ECBDMO CC(C)NS(=O)(=O)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134341875 436895106 /nfs/dbraw/zinc/89/51/06/436895106.db2.gz AHBDECZZCGHAEV-LBPRGKRZSA-N 1 1 331.398 0.193 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275460479 436971617 /nfs/dbraw/zinc/97/16/17/436971617.db2.gz YVDFXBQVAZUTNV-VXGBXAGGSA-N 1 1 336.392 0.846 20 5 ECBDMO NC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000275595780 436988699 /nfs/dbraw/zinc/98/86/99/436988699.db2.gz JYAWISOTFUXBAP-VIFPVBQESA-N 1 1 339.327 0.805 20 5 ECBDMO CNC(=O)CC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000263926966 437004179 /nfs/dbraw/zinc/00/41/79/437004179.db2.gz ZXXDJZYQSKKOBQ-UHFFFAOYSA-N 1 1 338.320 0.330 20 5 ECBDMO CNC(=O)CC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000263926966 437004182 /nfs/dbraw/zinc/00/41/82/437004182.db2.gz ZXXDJZYQSKKOBQ-UHFFFAOYSA-N 1 1 338.320 0.330 20 5 ECBDMO C[N@@H+](CCN1CCOCC1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264824470 437090090 /nfs/dbraw/zinc/09/00/90/437090090.db2.gz FDDQORHVIIFIGK-HNNXBMFYSA-N 1 1 339.392 0.599 20 5 ECBDMO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334085 437156130 /nfs/dbraw/zinc/15/61/30/437156130.db2.gz WDVVCWAITOXZJI-UKRRQHHQSA-N 1 1 325.413 0.958 20 5 ECBDMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334085 437156133 /nfs/dbraw/zinc/15/61/33/437156133.db2.gz WDVVCWAITOXZJI-UKRRQHHQSA-N 1 1 325.413 0.958 20 5 ECBDMO Nc1c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000176904130 437161256 /nfs/dbraw/zinc/16/12/56/437161256.db2.gz GITDGOWKMXSNKI-GFCCVEGCSA-N 1 1 334.376 0.971 20 5 ECBDMO CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000331867581 437171596 /nfs/dbraw/zinc/17/15/96/437171596.db2.gz CBFJAXFTPZKSCX-CABCVRRESA-N 1 1 334.376 0.938 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000331965130 437187300 /nfs/dbraw/zinc/18/73/00/437187300.db2.gz TVQPCHCCHBBWPW-UHFFFAOYSA-N 1 1 334.380 0.897 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000181390134 437319201 /nfs/dbraw/zinc/31/92/01/437319201.db2.gz ODSLPLHVWWRNTB-OAHLLOKOSA-N 1 1 345.359 0.880 20 5 ECBDMO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267125600 437294954 /nfs/dbraw/zinc/29/49/54/437294954.db2.gz VJUGSFWFEDGCTN-SNVBAGLBSA-N 1 1 338.364 0.856 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267125600 437294958 /nfs/dbraw/zinc/29/49/58/437294958.db2.gz VJUGSFWFEDGCTN-SNVBAGLBSA-N 1 1 338.364 0.856 20 5 ECBDMO CC(=O)N1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182193945 437342785 /nfs/dbraw/zinc/34/27/85/437342785.db2.gz WVDQXVKDBCIBBK-AWEZNQCLSA-N 1 1 337.376 0.889 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278673368 437332841 /nfs/dbraw/zinc/33/28/41/437332841.db2.gz UCXLNFGUTGKWHJ-LLVKDONJSA-N 1 1 339.396 0.867 20 5 ECBDMO Cc1cccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000186700491 437482787 /nfs/dbraw/zinc/48/27/87/437482787.db2.gz ZJHKUYUSRAMFDL-ZDUSSCGKSA-N 1 1 346.387 0.940 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000269004045 437445287 /nfs/dbraw/zinc/44/52/87/437445287.db2.gz KSOBIJBNKYJYLI-CYBMUJFWSA-N 1 1 348.359 0.006 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000269004045 437445290 /nfs/dbraw/zinc/44/52/90/437445290.db2.gz KSOBIJBNKYJYLI-CYBMUJFWSA-N 1 1 348.359 0.006 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000339272174 437452269 /nfs/dbraw/zinc/45/22/69/437452269.db2.gz SNNSYNZDDNUBPS-UHFFFAOYSA-N 1 1 349.391 0.534 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189283419 437591457 /nfs/dbraw/zinc/59/14/57/437591457.db2.gz QVXWQFMWCOPDHQ-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO CCOC(=O)[C@@H](C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190837313 437638701 /nfs/dbraw/zinc/63/87/01/437638701.db2.gz GXUOOXIXBACUFV-ZWNOBZJWSA-N 1 1 326.353 0.568 20 5 ECBDMO CCOC(=O)[C@@H](C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190837313 437638707 /nfs/dbraw/zinc/63/87/07/437638707.db2.gz GXUOOXIXBACUFV-ZWNOBZJWSA-N 1 1 326.353 0.568 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)C[C@@H]2C1 ZINC000192921369 437698356 /nfs/dbraw/zinc/69/83/56/437698356.db2.gz DTBWJUTVGXVOBC-AOOOYVTPSA-N 1 1 329.353 0.916 20 5 ECBDMO CC[N@@H+](C)CCNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416386828 437924393 /nfs/dbraw/zinc/92/43/93/437924393.db2.gz JFWKXGFUVSAYSD-UHFFFAOYSA-N 1 1 345.377 0.611 20 5 ECBDMO CCC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000347443674 437890871 /nfs/dbraw/zinc/89/08/71/437890871.db2.gz FNGPGEJOAYWZHK-LBPRGKRZSA-N 1 1 340.384 0.146 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371298119 437913354 /nfs/dbraw/zinc/91/33/54/437913354.db2.gz RKSFBHFTBXQWHS-GXTWGEPZSA-N 1 1 337.380 0.551 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371298119 437913360 /nfs/dbraw/zinc/91/33/60/437913360.db2.gz RKSFBHFTBXQWHS-GXTWGEPZSA-N 1 1 337.380 0.551 20 5 ECBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000357394797 437977282 /nfs/dbraw/zinc/97/72/82/437977282.db2.gz XHFGPBONDMZNDS-LBPRGKRZSA-N 1 1 342.377 0.286 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)n1 ZINC000357908308 438097597 /nfs/dbraw/zinc/09/75/97/438097597.db2.gz JKIUBHJRAQHFLG-UHFFFAOYSA-N 1 1 338.412 0.332 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372330218 438070688 /nfs/dbraw/zinc/07/06/88/438070688.db2.gz KGCDGNVWCFIULS-ZDUSSCGKSA-N 1 1 336.396 0.202 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+](C)CCC(N)=O)cc1[N+](=O)[O-] ZINC000348835735 438107319 /nfs/dbraw/zinc/10/73/19/438107319.db2.gz BIESBOFLEJZUFH-UHFFFAOYSA-N 1 1 325.321 0.454 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1C ZINC000358194862 438179278 /nfs/dbraw/zinc/17/92/78/438179278.db2.gz JLNWGUGCRVZHQB-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358210451 438182445 /nfs/dbraw/zinc/18/24/45/438182445.db2.gz JLTSYHLMGYCZEH-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000186958403 533696320 /nfs/dbraw/zinc/69/63/20/533696320.db2.gz QGQQOZTUCVQHCV-WDEREUQCSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000186958403 533696328 /nfs/dbraw/zinc/69/63/28/533696328.db2.gz QGQQOZTUCVQHCV-WDEREUQCSA-N 1 1 347.375 0.998 20 5 ECBDMO COc1cc(C[N@@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000434792183 438325575 /nfs/dbraw/zinc/32/55/75/438325575.db2.gz GPMXYEQPXUZGCE-HNNXBMFYSA-N 1 1 334.332 0.777 20 5 ECBDMO COc1cc(C[N@H+]2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1[N+](=O)[O-] ZINC000434792183 438325579 /nfs/dbraw/zinc/32/55/79/438325579.db2.gz GPMXYEQPXUZGCE-HNNXBMFYSA-N 1 1 334.332 0.777 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234878 438365638 /nfs/dbraw/zinc/36/56/38/438365638.db2.gz MUENSAKVCVAEOX-STQMWFEESA-N 1 1 334.332 0.206 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234878 438365641 /nfs/dbraw/zinc/36/56/41/438365641.db2.gz MUENSAKVCVAEOX-STQMWFEESA-N 1 1 334.332 0.206 20 5 ECBDMO CCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000352500599 438429662 /nfs/dbraw/zinc/42/96/62/438429662.db2.gz PQMNLWJKBYZOLY-LLVKDONJSA-N 1 1 345.425 0.964 20 5 ECBDMO Cc1cn[nH]c1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352831372 438482253 /nfs/dbraw/zinc/48/22/53/438482253.db2.gz GPBBTQDFXCXURJ-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO Cc1c[nH]nc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000352831372 438482257 /nfs/dbraw/zinc/48/22/57/438482257.db2.gz GPBBTQDFXCXURJ-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO Cc1nn(C)c(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c1[N+](=O)[O-] ZINC000369349348 438458510 /nfs/dbraw/zinc/45/85/10/438458510.db2.gz YPCWRBKEOPZQMA-CYBMUJFWSA-N 1 1 338.412 0.455 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000439002362 438495336 /nfs/dbraw/zinc/49/53/36/438495336.db2.gz PLYYYYAIVNNZJT-DGCLKSJQSA-N 1 1 330.410 0.342 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1(CCO)CCOCC1 ZINC000352996859 438497179 /nfs/dbraw/zinc/49/71/79/438497179.db2.gz INYCUIUCKHLDAB-ZDUSSCGKSA-N 1 1 328.369 0.016 20 5 ECBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825211 438520857 /nfs/dbraw/zinc/52/08/57/438520857.db2.gz GZQLCMGGWXBAAX-GHYVTOPFSA-N 1 1 337.380 0.271 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000408144516 438523778 /nfs/dbraw/zinc/52/37/78/438523778.db2.gz AGLPSFPVYNUPKR-QWRGUYRKSA-N 1 1 343.409 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000408144516 438523780 /nfs/dbraw/zinc/52/37/80/438523780.db2.gz AGLPSFPVYNUPKR-QWRGUYRKSA-N 1 1 343.409 0.526 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408338914 438557536 /nfs/dbraw/zinc/55/75/36/438557536.db2.gz MWLJITPUBCZQCI-CYBMUJFWSA-N 1 1 335.364 0.302 20 5 ECBDMO COC[C@@]1(CO)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451939380 438618013 /nfs/dbraw/zinc/61/80/13/438618013.db2.gz WIBOOMLYCMXLTA-KRWDZBQOSA-N 1 1 349.387 0.815 20 5 ECBDMO COC[C@@]1(CO)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000451939380 438618015 /nfs/dbraw/zinc/61/80/15/438618015.db2.gz WIBOOMLYCMXLTA-KRWDZBQOSA-N 1 1 349.387 0.815 20 5 ECBDMO CC(C)(C(=O)N[C@H]1CCC[N@@H+](CCCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000452796514 438675259 /nfs/dbraw/zinc/67/52/59/438675259.db2.gz NJCUPWLFSLNLQX-LBPRGKRZSA-N 1 1 339.396 0.489 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](O)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000451761092 438713500 /nfs/dbraw/zinc/71/35/00/438713500.db2.gz OPTFPDFYPQGOSK-ZIAGYGMSSA-N 1 1 339.348 0.624 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000548086257 438722635 /nfs/dbraw/zinc/72/26/35/438722635.db2.gz ZQZAOFGIBDQPDI-UHFFFAOYSA-N 1 1 336.396 0.282 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNC[C@H]2CCC[NH2+]C2)cc1 ZINC000415073647 438729118 /nfs/dbraw/zinc/72/91/18/438729118.db2.gz BFKPCEYLKQWESV-LBPRGKRZSA-N 1 1 342.421 0.462 20 5 ECBDMO CNc1nccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000553481152 438753559 /nfs/dbraw/zinc/75/35/59/438753559.db2.gz FWVQBBRTEYYINA-LLVKDONJSA-N 1 1 337.380 0.730 20 5 ECBDMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000456207256 438762779 /nfs/dbraw/zinc/76/27/79/438762779.db2.gz GCNRYEXDYLDJJY-BETUJISGSA-N 1 1 336.392 0.920 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608413 438835146 /nfs/dbraw/zinc/83/51/46/438835146.db2.gz PGPQHHXDPDWIKS-KGLIPLIRSA-N 1 1 347.375 0.948 20 5 ECBDMO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000588777711 438839460 /nfs/dbraw/zinc/83/94/60/438839460.db2.gz XQRIVRKWKVZWBH-ZDUSSCGKSA-N 1 1 334.376 0.730 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860101 438844144 /nfs/dbraw/zinc/84/41/44/438844144.db2.gz DMOOYPYFYOUJDT-NEPJUHHUSA-N 1 1 345.359 0.752 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860101 438844151 /nfs/dbraw/zinc/84/41/51/438844151.db2.gz DMOOYPYFYOUJDT-NEPJUHHUSA-N 1 1 345.359 0.752 20 5 ECBDMO CN(C(=O)C[NH2+]C1(C(N)=O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000595727399 438848058 /nfs/dbraw/zinc/84/80/58/438848058.db2.gz BXUCDFIEZTXADY-UHFFFAOYSA-N 1 1 336.348 0.182 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590045249 438898795 /nfs/dbraw/zinc/89/87/95/438898795.db2.gz OEUOIEUGGWZDJM-NJZAAPMLSA-N 1 1 346.387 0.876 20 5 ECBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000577608751 438856900 /nfs/dbraw/zinc/85/69/00/438856900.db2.gz AORQMWLQYUQISP-UHFFFAOYSA-N 1 1 349.391 0.642 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(CO)(CO)C1 ZINC000595799520 438862558 /nfs/dbraw/zinc/86/25/58/438862558.db2.gz MEAVZTUGYXMOBY-UHFFFAOYSA-N 1 1 337.376 0.909 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC(CO)(CO)C2)c1 ZINC000595801388 438864595 /nfs/dbraw/zinc/86/45/95/438864595.db2.gz WLUMGADHKOFJHT-ZDUSSCGKSA-N 1 1 326.349 0.011 20 5 ECBDMO NC(=O)c1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595903440 438882572 /nfs/dbraw/zinc/88/25/72/438882572.db2.gz RHQYCNXBQMUGOJ-UHFFFAOYSA-N 1 1 342.355 0.914 20 5 ECBDMO NC(=O)c1cccc2c1CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000595903440 438882575 /nfs/dbraw/zinc/88/25/75/438882575.db2.gz RHQYCNXBQMUGOJ-UHFFFAOYSA-N 1 1 342.355 0.914 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590582792 438934982 /nfs/dbraw/zinc/93/49/82/438934982.db2.gz UQYKOEONBZNNIH-ZWNOBZJWSA-N 1 1 340.405 0.773 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000596200257 438941371 /nfs/dbraw/zinc/94/13/71/438941371.db2.gz JUGMTMGPCZMFFA-SNVBAGLBSA-N 1 1 337.361 0.866 20 5 ECBDMO NS(=O)(=O)c1ccc(NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000596222955 438942599 /nfs/dbraw/zinc/94/25/99/438942599.db2.gz KMOOEGXJJFOKOW-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1COC[C@H]1OC ZINC000459827465 439010574 /nfs/dbraw/zinc/01/05/74/439010574.db2.gz NLOXAOJWESMAPU-DUFXMDAXSA-N 1 1 339.348 0.934 20 5 ECBDMO COC(=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000602781907 439136009 /nfs/dbraw/zinc/13/60/09/439136009.db2.gz HWXDVHSJOGNDKF-UHFFFAOYSA-N 1 1 326.353 0.754 20 5 ECBDMO COC(=O)C[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C1CCOCC1 ZINC000602781907 439136014 /nfs/dbraw/zinc/13/60/14/439136014.db2.gz HWXDVHSJOGNDKF-UHFFFAOYSA-N 1 1 326.353 0.754 20 5 ECBDMO COc1ccc(OCCN2CC[N@@H+](C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000602905985 439156491 /nfs/dbraw/zinc/15/64/91/439156491.db2.gz WNCMSRKZOXQMHU-GFCCVEGCSA-N 1 1 325.365 0.591 20 5 ECBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000597680061 439158659 /nfs/dbraw/zinc/15/86/59/439158659.db2.gz UZMCUNUIDZKBPT-NSHDSACASA-N 1 1 349.391 0.897 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598452230 439264701 /nfs/dbraw/zinc/26/47/01/439264701.db2.gz HRJWKVZXBNWOBU-GFCCVEGCSA-N 1 1 334.376 0.848 20 5 ECBDMO CN(C)S(=O)(=O)N1CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599093517 439355850 /nfs/dbraw/zinc/35/58/50/439355850.db2.gz VUDPQSWHZCPBTE-ZDUSSCGKSA-N 1 1 340.405 0.662 20 5 ECBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593356062 439371356 /nfs/dbraw/zinc/37/13/56/439371356.db2.gz KXACRFSTJIULGX-CQSZACIVSA-N 1 1 334.376 0.598 20 5 ECBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593356062 439371363 /nfs/dbraw/zinc/37/13/63/439371363.db2.gz KXACRFSTJIULGX-CQSZACIVSA-N 1 1 334.376 0.598 20 5 ECBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000599245127 439396582 /nfs/dbraw/zinc/39/65/82/439396582.db2.gz QJUXIWKXVZRZHR-VHSXEESVSA-N 1 1 331.398 0.432 20 5 ECBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247627 439399346 /nfs/dbraw/zinc/39/93/46/439399346.db2.gz GKTAYEGELBQTPV-NSHDSACASA-N 1 1 345.425 0.823 20 5 ECBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599310619 439427125 /nfs/dbraw/zinc/42/71/25/439427125.db2.gz XIZZPGQPCHINHM-SNVBAGLBSA-N 1 1 333.414 0.727 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)n1 ZINC000583198723 439432991 /nfs/dbraw/zinc/43/29/91/439432991.db2.gz CHOWKRLENNBALG-JTQLQIEISA-N 1 1 333.352 0.331 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)o2)cc1 ZINC000594025604 439510117 /nfs/dbraw/zinc/51/01/17/439510117.db2.gz OPPVICJJCNROJA-UONOGXRCSA-N 1 1 345.359 0.896 20 5 ECBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287439 439536128 /nfs/dbraw/zinc/53/61/28/439536128.db2.gz AUMXQCYMSVKQIX-NSHDSACASA-N 1 1 348.407 0.470 20 5 ECBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])C2)CC1 ZINC000594287439 439536133 /nfs/dbraw/zinc/53/61/33/439536133.db2.gz AUMXQCYMSVKQIX-NSHDSACASA-N 1 1 348.407 0.470 20 5 ECBDMO O=c1ccccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000608788711 439545954 /nfs/dbraw/zinc/54/59/54/439545954.db2.gz PLIDUZIIRRUCHS-UHFFFAOYSA-N 1 1 329.360 0.974 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939246 439580177 /nfs/dbraw/zinc/58/01/77/439580177.db2.gz UCDIXCIOGBDUEL-QWHCGFSZSA-N 1 1 335.360 0.885 20 5 ECBDMO O=C(CCN[C@H](CO)C[NH+]1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573444953 439646376 /nfs/dbraw/zinc/64/63/76/439646376.db2.gz ITMQLDVDWDIMCK-ZDUSSCGKSA-N 1 1 336.392 0.970 20 5 ECBDMO CNc1nccc(C(=O)NC[C@@H]2CCC[N@H+]2CCOC)c1[N+](=O)[O-] ZINC000573813226 439668000 /nfs/dbraw/zinc/66/80/00/439668000.db2.gz BGXBRKHCJTWPKV-NSHDSACASA-N 1 1 337.380 0.872 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610521771 439623513 /nfs/dbraw/zinc/62/35/13/439623513.db2.gz IOGLBARAXVZHQD-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610521771 439623517 /nfs/dbraw/zinc/62/35/17/439623517.db2.gz IOGLBARAXVZHQD-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000610521771 439623520 /nfs/dbraw/zinc/62/35/20/439623520.db2.gz IOGLBARAXVZHQD-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000600808649 439704391 /nfs/dbraw/zinc/70/43/91/439704391.db2.gz NYVBLYCVQWYDQG-HNNXBMFYSA-N 1 1 345.359 0.577 20 5 ECBDMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000611598674 439710199 /nfs/dbraw/zinc/71/01/99/439710199.db2.gz DGDVIXRDLDNKNW-UHFFFAOYSA-N 1 1 336.396 0.559 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600537122 439675250 /nfs/dbraw/zinc/67/52/50/439675250.db2.gz XWLAOJIYLJQDSP-SNVBAGLBSA-N 1 1 345.302 0.993 20 5 ECBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600544309 439676265 /nfs/dbraw/zinc/67/62/65/439676265.db2.gz DHBQDEGSFMMMRP-CYBMUJFWSA-N 1 1 337.332 0.178 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000611165971 439676526 /nfs/dbraw/zinc/67/65/26/439676526.db2.gz PJYQKKSSVLUHLO-UHFFFAOYSA-N 1 1 347.375 1.000 20 5 ECBDMO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1C ZINC000611762146 439728198 /nfs/dbraw/zinc/72/81/98/439728198.db2.gz NNXKQBFUVXXUKY-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H]1C ZINC000611762146 439728199 /nfs/dbraw/zinc/72/81/99/439728199.db2.gz NNXKQBFUVXXUKY-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188069 321268852 /nfs/dbraw/zinc/26/88/52/321268852.db2.gz JZBBCMBSVBFPSD-MEBBXXQBSA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188069 321268853 /nfs/dbraw/zinc/26/88/53/321268853.db2.gz JZBBCMBSVBFPSD-MEBBXXQBSA-N 1 1 336.348 0.152 20 5 ECBDMO CN(C)c1[nH+]cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1C ZINC000358077302 321550772 /nfs/dbraw/zinc/55/07/72/321550772.db2.gz OLGSHYPUIRJCCJ-UHFFFAOYSA-N 1 1 335.368 0.642 20 5 ECBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880927 322123386 /nfs/dbraw/zinc/12/33/86/322123386.db2.gz ULTFJCOJGBFXRG-UHFFFAOYSA-N 1 1 344.437 0.709 20 5 ECBDMO CSc1nnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000571315695 322717566 /nfs/dbraw/zinc/71/75/66/322717566.db2.gz JEAJEKPQLXKFDO-QMMMGPOBSA-N 1 1 330.395 0.515 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1[N+](=O)[O-] ZINC000619252376 546310746 /nfs/dbraw/zinc/31/07/46/546310746.db2.gz JTXQQDDOTZQZRD-MNOVXSKESA-N 1 1 325.344 0.895 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000619252378 546310801 /nfs/dbraw/zinc/31/08/01/546310801.db2.gz JTXQQDDOTZQZRD-WDEREUQCSA-N 1 1 325.344 0.895 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874038 546376477 /nfs/dbraw/zinc/37/64/77/546376477.db2.gz WZIYCUKMHBSMQS-LLVKDONJSA-N 1 1 336.396 0.390 20 5 ECBDMO Cc1c(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000619873520 546376780 /nfs/dbraw/zinc/37/67/80/546376780.db2.gz JXHWEIOYDOGTAY-OAHLLOKOSA-N 1 1 332.404 0.952 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619879543 546378267 /nfs/dbraw/zinc/37/82/67/546378267.db2.gz BJIWMGLJCNITEM-CYBMUJFWSA-N 1 1 334.376 0.480 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000737777177 578526848 /nfs/dbraw/zinc/52/68/48/578526848.db2.gz DAUHHIYKNCFDDA-UHFFFAOYSA-N 1 1 335.364 0.073 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000771242503 579186929 /nfs/dbraw/zinc/18/69/29/579186929.db2.gz HTEDNHQCASRVKH-UHFFFAOYSA-N 1 1 338.368 0.121 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000762719866 579546765 /nfs/dbraw/zinc/54/67/65/579546765.db2.gz RWQSNYUPIIPVGP-HNNXBMFYSA-N 1 1 333.348 0.127 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC000747960332 579855781 /nfs/dbraw/zinc/85/57/81/579855781.db2.gz ZIIOWHMAQYIKQF-UHFFFAOYSA-N 1 1 347.335 0.917 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000836865275 588937189 /nfs/dbraw/zinc/93/71/89/588937189.db2.gz XPFCDXRXRFCBNG-TYNCELHUSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000836865275 588937190 /nfs/dbraw/zinc/93/71/90/588937190.db2.gz XPFCDXRXRFCBNG-TYNCELHUSA-N 1 1 337.376 0.542 20 5 ECBDMO COc1c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896540602 586250629 /nfs/dbraw/zinc/25/06/29/586250629.db2.gz FWXIABOHTCRXGN-RISCZKNCSA-N 1 1 336.392 0.968 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899943278 586514671 /nfs/dbraw/zinc/51/46/71/586514671.db2.gz ZTMGSAODNGTGQQ-RDJZCZTQSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@H](NC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC000900811453 586666262 /nfs/dbraw/zinc/66/62/62/586666262.db2.gz LPPCZTAOHADVHR-GLQYFDAESA-N 1 1 336.392 0.379 20 5 ECBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000843760540 589078666 /nfs/dbraw/zinc/07/86/66/589078666.db2.gz MQVWWCXMHSNEAD-UHFFFAOYSA-N 1 1 338.339 0.722 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000816730969 587321452 /nfs/dbraw/zinc/32/14/52/587321452.db2.gz WHOGAPAHVXSSGL-UHFFFAOYSA-N 1 1 335.364 0.071 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000817131840 587334261 /nfs/dbraw/zinc/33/42/61/587334261.db2.gz RWQGWGBCIXEFQN-NSHDSACASA-N 1 1 328.394 0.773 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C[C@@H]1C ZINC000823538662 587728110 /nfs/dbraw/zinc/72/81/10/587728110.db2.gz LAQWQNRLSYBPRY-TXEJJXNPSA-N 1 1 339.396 0.667 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823592352 587732819 /nfs/dbraw/zinc/73/28/19/587732819.db2.gz RAMNOSIXAUFQKZ-HZPDHXFCSA-N 1 1 334.376 0.992 20 5 ECBDMO C[C@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000826121934 587994149 /nfs/dbraw/zinc/99/41/49/587994149.db2.gz VASKBWRTEWBLQB-IUODEOHRSA-N 1 1 337.376 0.713 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829338717 588322437 /nfs/dbraw/zinc/32/24/37/588322437.db2.gz YRXQUMVJFHOIRO-WBVHZDCISA-N 1 1 346.387 0.918 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000830022619 588354908 /nfs/dbraw/zinc/35/49/08/588354908.db2.gz LRRNCACSVWNCGZ-NWDGAFQWSA-N 1 1 339.421 0.796 20 5 ECBDMO Cn1nccc1C([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccnn1C ZINC000860079227 589742395 /nfs/dbraw/zinc/74/23/95/589742395.db2.gz GSAROXQEKBYDRA-UHFFFAOYSA-N 1 1 330.352 0.638 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000867550194 589803199 /nfs/dbraw/zinc/80/31/99/589803199.db2.gz XNKUTPVJEQSKEK-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000867550194 589803202 /nfs/dbraw/zinc/80/32/02/589803202.db2.gz XNKUTPVJEQSKEK-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862108563 589920598 /nfs/dbraw/zinc/92/05/98/589920598.db2.gz XMNODHDPZILFBX-UHFFFAOYSA-N 1 1 338.339 0.909 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000119081060 589966529 /nfs/dbraw/zinc/96/65/29/589966529.db2.gz JKPFCGGORUXBHG-TVQRCGJNSA-N 1 1 338.320 0.952 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000119081060 589966531 /nfs/dbraw/zinc/96/65/31/589966531.db2.gz JKPFCGGORUXBHG-TVQRCGJNSA-N 1 1 338.320 0.952 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1F ZINC000863833678 590042610 /nfs/dbraw/zinc/04/26/10/590042610.db2.gz UABLZPRLQLBJKA-VIFPVBQESA-N 1 1 329.303 0.978 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@H+]2CC[C@H](O)C2)c1F ZINC000863833678 590042613 /nfs/dbraw/zinc/04/26/13/590042613.db2.gz UABLZPRLQLBJKA-VIFPVBQESA-N 1 1 329.303 0.978 20 5 ECBDMO CC[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000883899840 590680369 /nfs/dbraw/zinc/68/03/69/590680369.db2.gz ZDIRVTDSHAQJNF-ZDUSSCGKSA-N 1 1 348.407 0.916 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2C)c1F ZINC000924976946 611444316 /nfs/dbraw/zinc/44/43/16/611444316.db2.gz AIHDBNDBXBJWRH-BDAKNGLRSA-N 1 1 329.303 0.976 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000924993527 611447293 /nfs/dbraw/zinc/44/72/93/611447293.db2.gz LRSXPQMDIKVWAS-UONOGXRCSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@H]1C[N@@H+](CCCOC(=O)CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000893391408 608619187 /nfs/dbraw/zinc/61/91/87/608619187.db2.gz VWEARAKUOAQZTK-LBPRGKRZSA-N 1 1 326.353 0.835 20 5 ECBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000925016027 608701174 /nfs/dbraw/zinc/70/11/74/608701174.db2.gz RYTXWPICMHUNAI-UHFFFAOYSA-N 1 1 336.392 0.849 20 5 ECBDMO CN(C)c1cc(F)c(C(=O)N(C)CC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912603777 609975493 /nfs/dbraw/zinc/97/54/93/609975493.db2.gz CKDLLHRZEDJODZ-UHFFFAOYSA-N 1 1 342.371 0.796 20 5 ECBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000933729292 611744765 /nfs/dbraw/zinc/74/47/65/611744765.db2.gz BENJVLSYABPFKP-TXEJJXNPSA-N 1 1 326.374 0.950 20 5 ECBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)c1 ZINC000933729292 611744766 /nfs/dbraw/zinc/74/47/66/611744766.db2.gz BENJVLSYABPFKP-TXEJJXNPSA-N 1 1 326.374 0.950 20 5 ECBDMO COC(=O)CC[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001167259460 733104118 /nfs/dbraw/zinc/10/41/18/733104118.db2.gz VOWHAQRKTOIFQC-ZDUSSCGKSA-N 1 1 328.369 0.673 20 5 ECBDMO Cc1ncc(CN)c(=N)n1-c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001167674769 737073151 /nfs/dbraw/zinc/07/31/51/737073151.db2.gz CIYXOGSQLWGMGH-UHFFFAOYSA-N 1 1 346.391 0.967 20 5 ECBDMO O=C(NCC1=CC[N@@H+](CCN2CCCC2=O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672965 745686788 /nfs/dbraw/zinc/68/67/88/745686788.db2.gz CIKVMXISDSPVIH-ZIAGYGMSSA-N 1 1 336.392 0.022 20 5 ECBDMO O=C(NCC1=CC[N@H+](CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672965 745686792 /nfs/dbraw/zinc/68/67/92/745686792.db2.gz CIKVMXISDSPVIH-ZIAGYGMSSA-N 1 1 336.392 0.022 20 5 ECBDMO O=C(NCC1=CC[N@@H+](CCN2CCCC2=O)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672965 745686795 /nfs/dbraw/zinc/68/67/95/745686795.db2.gz CIKVMXISDSPVIH-ZIAGYGMSSA-N 1 1 336.392 0.022 20 5 ECBDMO O=C(NCC1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1)c1ccc2c[nH+]cn2c1 ZINC001003221343 748305878 /nfs/dbraw/zinc/30/58/78/748305878.db2.gz BERAGFQCJVBAFY-ZIAGYGMSSA-N 1 1 343.343 0.188 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000985513711 748366863 /nfs/dbraw/zinc/36/68/63/748366863.db2.gz AELHITZAHQXITI-UHFFFAOYSA-N 1 1 348.367 0.183 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000985513711 748366870 /nfs/dbraw/zinc/36/68/70/748366870.db2.gz AELHITZAHQXITI-UHFFFAOYSA-N 1 1 348.367 0.183 20 5 ECBDMO CCOC(=O)C1CO[C@@H](C)C1=Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168159795 750254098 /nfs/dbraw/zinc/25/40/98/750254098.db2.gz QAXMCJSHZFQRLW-QMMMGPOBSA-N 1 1 349.347 0.719 20 5 ECBDMO COC1(CC(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001126311523 750681527 /nfs/dbraw/zinc/68/15/27/750681527.db2.gz KCSHCFMPGJWQMO-UHFFFAOYSA-N 1 1 325.369 0.493 20 5 ECBDMO Cc1ccsc1CNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936569 756763726 /nfs/dbraw/zinc/76/37/26/756763726.db2.gz LYAQEVQNQWELIX-GHMZBOCLSA-N 1 1 340.405 0.044 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)ccn1 ZINC001048814692 757082619 /nfs/dbraw/zinc/08/26/19/757082619.db2.gz XMQJPDAGKAYBMF-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)ccn1 ZINC001048814692 757082629 /nfs/dbraw/zinc/08/26/29/757082629.db2.gz XMQJPDAGKAYBMF-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)ccn1 ZINC001048814692 757082635 /nfs/dbraw/zinc/08/26/35/757082635.db2.gz XMQJPDAGKAYBMF-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO Cc1noc(CCC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814724 757083397 /nfs/dbraw/zinc/08/33/97/757083397.db2.gz ZZPIGYSTMDWCIP-XJFOESAGSA-N 1 1 349.391 0.366 20 5 ECBDMO Cc1noc(CCC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814724 757083401 /nfs/dbraw/zinc/08/34/01/757083401.db2.gz ZZPIGYSTMDWCIP-XJFOESAGSA-N 1 1 349.391 0.366 20 5 ECBDMO Cc1noc(CCC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814724 757083406 /nfs/dbraw/zinc/08/34/06/757083406.db2.gz ZZPIGYSTMDWCIP-XJFOESAGSA-N 1 1 349.391 0.366 20 5 ECBDMO Cn1nccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325663 760129517 /nfs/dbraw/zinc/12/95/17/760129517.db2.gz JXKYSKBGGUNKLQ-QHSBEEBCSA-N 1 1 335.408 0.850 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCn1cccn1)CC2 ZINC001050516797 760411688 /nfs/dbraw/zinc/41/16/88/760411688.db2.gz JXDQZJLVAFIQQE-ZIAGYGMSSA-N 1 1 333.392 0.473 20 5 ECBDMO CCN(CCNc1ncc([N+](=O)[O-])c(N)n1)C(=O)Cn1c[nH+]cc1C ZINC001106891579 771210278 /nfs/dbraw/zinc/21/02/78/771210278.db2.gz BRSOTLVRJIFHRY-UHFFFAOYSA-N 1 1 348.367 0.433 20 5 ECBDMO CN(C)c1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC001020138876 772205368 /nfs/dbraw/zinc/20/53/68/772205368.db2.gz GBKVDUNOKGXUFC-AAVRWANBSA-N 1 1 333.392 0.550 20 5 ECBDMO NC(=O)CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072565307 786373388 /nfs/dbraw/zinc/37/33/88/786373388.db2.gz SGYJOZOXMQSHOW-UHFFFAOYSA-N 1 1 332.360 0.505 20 5 ECBDMO Cn1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cc1=O ZINC001072726526 788654760 /nfs/dbraw/zinc/65/47/60/788654760.db2.gz LMMHKWMVURMAGB-ZIAGYGMSSA-N 1 1 346.387 0.085 20 5 ECBDMO Cn1ccc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1=O ZINC001072726526 788654762 /nfs/dbraw/zinc/65/47/62/788654762.db2.gz LMMHKWMVURMAGB-ZIAGYGMSSA-N 1 1 346.387 0.085 20 5 ECBDMO Cn1ccc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cc1=O ZINC001072726526 788654766 /nfs/dbraw/zinc/65/47/66/788654766.db2.gz LMMHKWMVURMAGB-ZIAGYGMSSA-N 1 1 346.387 0.085 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]CCCOCC(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001266591681 836021623 /nfs/dbraw/zinc/02/16/23/836021623.db2.gz TVCSOKIMJRIHBS-GWOFURMSSA-N 1 1 339.314 0.857 20 5 ECBDMO C[N@H+](CCNC(=O)c1ccc(=O)[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001267185094 836938715 /nfs/dbraw/zinc/93/87/15/836938715.db2.gz LQYNIJJOFFAGMQ-UHFFFAOYSA-N 1 1 331.332 0.952 20 5 ECBDMO C[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001267185094 836938723 /nfs/dbraw/zinc/93/87/23/836938723.db2.gz LQYNIJJOFFAGMQ-UHFFFAOYSA-N 1 1 331.332 0.952 20 5 ECBDMO CNC(=O)C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000053847116 214202882 /nfs/dbraw/zinc/20/28/82/214202882.db2.gz TYJVWIKPQLGNPM-UHFFFAOYSA-N 1 1 346.387 0.942 20 5 ECBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000175111935 231386752 /nfs/dbraw/zinc/38/67/52/231386752.db2.gz HCYFMAZRXKRZQB-UHFFFAOYSA-N 1 1 346.347 0.930 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+](CCO)[C@@H](C)C1 ZINC000426460466 210150306 /nfs/dbraw/zinc/15/03/06/210150306.db2.gz OYIJRVVVDJUJSP-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000426460466 210150309 /nfs/dbraw/zinc/15/03/09/210150309.db2.gz OYIJRVVVDJUJSP-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO CNS(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000190312683 530017811 /nfs/dbraw/zinc/01/78/11/530017811.db2.gz VHHANQYZSWIPEZ-UHFFFAOYSA-N 1 1 339.320 0.835 20 5 ECBDMO Cc1cc(C(=O)NCCC[NH+]2CCN(C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000178150455 232095281 /nfs/dbraw/zinc/09/52/81/232095281.db2.gz IEXNKGUCPWWYJF-UHFFFAOYSA-N 1 1 335.408 0.853 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000186935817 236070385 /nfs/dbraw/zinc/07/03/85/236070385.db2.gz HXOZKCSWDPIXOY-NWDGAFQWSA-N 1 1 325.369 0.095 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552787 299271619 /nfs/dbraw/zinc/27/16/19/299271619.db2.gz KIMUINOCXNPABD-VXGBXAGGSA-N 1 1 339.396 0.691 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552787 299271622 /nfs/dbraw/zinc/27/16/22/299271622.db2.gz KIMUINOCXNPABD-VXGBXAGGSA-N 1 1 339.396 0.691 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552784 299271713 /nfs/dbraw/zinc/27/17/13/299271713.db2.gz KIMUINOCXNPABD-NWDGAFQWSA-N 1 1 339.396 0.691 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552784 299271717 /nfs/dbraw/zinc/27/17/17/299271717.db2.gz KIMUINOCXNPABD-NWDGAFQWSA-N 1 1 339.396 0.691 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000246855718 243326972 /nfs/dbraw/zinc/32/69/72/243326972.db2.gz VGILAKVIMWETBI-MNOVXSKESA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000246855718 243326977 /nfs/dbraw/zinc/32/69/77/243326977.db2.gz VGILAKVIMWETBI-MNOVXSKESA-N 1 1 347.375 0.998 20 5 ECBDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264325102 246351778 /nfs/dbraw/zinc/35/17/78/246351778.db2.gz ANKWDPLFZVHJNE-UHFFFAOYSA-N 1 1 343.405 0.672 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000450956581 211354444 /nfs/dbraw/zinc/35/44/44/211354444.db2.gz RRHLIGNEHQCYNH-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000450956581 211354448 /nfs/dbraw/zinc/35/44/48/211354448.db2.gz RRHLIGNEHQCYNH-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000444386798 211076170 /nfs/dbraw/zinc/07/61/70/211076170.db2.gz FYAGEMSCKKPQDC-JTQLQIEISA-N 1 1 337.380 0.489 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000444386798 211076174 /nfs/dbraw/zinc/07/61/74/211076174.db2.gz FYAGEMSCKKPQDC-JTQLQIEISA-N 1 1 337.380 0.489 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956207 208178556 /nfs/dbraw/zinc/17/85/56/208178556.db2.gz RCKLCJPIZQFQLG-STQMWFEESA-N 1 1 337.376 0.745 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000430201599 210358047 /nfs/dbraw/zinc/35/80/47/210358047.db2.gz DLMOTSWQZMFEDM-HNNXBMFYSA-N 1 1 339.392 0.728 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000430201599 210358050 /nfs/dbraw/zinc/35/80/50/210358050.db2.gz DLMOTSWQZMFEDM-HNNXBMFYSA-N 1 1 339.392 0.728 20 5 ECBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246282720 165128558 /nfs/dbraw/zinc/12/85/58/165128558.db2.gz NTLHIWBYVTUBJW-OCCSQVGLSA-N 1 1 334.380 0.895 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261699985 165229465 /nfs/dbraw/zinc/22/94/65/165229465.db2.gz OPUCJWGGJLGNOO-GFCCVEGCSA-N 1 1 336.392 0.890 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261699985 165229467 /nfs/dbraw/zinc/22/94/67/165229467.db2.gz OPUCJWGGJLGNOO-GFCCVEGCSA-N 1 1 336.392 0.890 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261916603 165262338 /nfs/dbraw/zinc/26/23/38/165262338.db2.gz IEARQDKUNJAFEF-LBPRGKRZSA-N 1 1 334.311 0.499 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000195329787 263170548 /nfs/dbraw/zinc/17/05/48/263170548.db2.gz BOYODJNJWVHPCN-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272966783 263382586 /nfs/dbraw/zinc/38/25/86/263382586.db2.gz SJAOXGXBMYUXOJ-UHFFFAOYSA-N 1 1 348.359 0.920 20 5 ECBDMO COCCC[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275398174 263596179 /nfs/dbraw/zinc/59/61/79/263596179.db2.gz DNVNRYBPAUFLJU-CQSZACIVSA-N 1 1 328.365 0.665 20 5 ECBDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285214550 264291714 /nfs/dbraw/zinc/29/17/14/264291714.db2.gz WNIYBUGEJAQKCL-KBPBESRZSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000285214550 264291715 /nfs/dbraw/zinc/29/17/15/264291715.db2.gz WNIYBUGEJAQKCL-KBPBESRZSA-N 1 1 341.389 0.688 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000285653589 264329346 /nfs/dbraw/zinc/32/93/46/264329346.db2.gz YOCVGZTZWPLOTQ-CQSZACIVSA-N 1 1 334.332 0.752 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOc3cc(O)ccc3C2)c1 ZINC000285653589 264329348 /nfs/dbraw/zinc/32/93/48/264329348.db2.gz YOCVGZTZWPLOTQ-CQSZACIVSA-N 1 1 334.332 0.752 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839909 264343633 /nfs/dbraw/zinc/34/36/33/264343633.db2.gz PTLOWLFDYXNGIZ-MNOVXSKESA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839909 264343635 /nfs/dbraw/zinc/34/36/35/264343635.db2.gz PTLOWLFDYXNGIZ-MNOVXSKESA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000285839909 264343637 /nfs/dbraw/zinc/34/36/37/264343637.db2.gz PTLOWLFDYXNGIZ-MNOVXSKESA-N 1 1 337.380 0.986 20 5 ECBDMO O=C(CC[N@@H+]1CCOC[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000295457198 265065972 /nfs/dbraw/zinc/06/59/72/265065972.db2.gz FIMAYEUVNKJEOP-NSHDSACASA-N 1 1 327.312 0.756 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000457122152 279383874 /nfs/dbraw/zinc/38/38/74/279383874.db2.gz LUSDTNPXHGPMGZ-CQSZACIVSA-N 1 1 349.391 0.359 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000457122152 279383877 /nfs/dbraw/zinc/38/38/77/279383877.db2.gz LUSDTNPXHGPMGZ-CQSZACIVSA-N 1 1 349.391 0.359 20 5 ECBDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000339359155 297343214 /nfs/dbraw/zinc/34/32/14/297343214.db2.gz JUGWSYJVPRZNOO-ZDUSSCGKSA-N 1 1 338.364 0.664 20 5 ECBDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000339359155 297343215 /nfs/dbraw/zinc/34/32/15/297343215.db2.gz JUGWSYJVPRZNOO-ZDUSSCGKSA-N 1 1 338.364 0.664 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000345715280 298186794 /nfs/dbraw/zinc/18/67/94/298186794.db2.gz KBETZDWEUCHGNF-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000345715280 298186798 /nfs/dbraw/zinc/18/67/98/298186798.db2.gz KBETZDWEUCHGNF-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177900 298233283 /nfs/dbraw/zinc/23/32/83/298233283.db2.gz AKOKSKAZLIZSTK-DGCLKSJQSA-N 1 1 348.363 0.902 20 5 ECBDMO CCc1nn(C)c(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000360960258 300046228 /nfs/dbraw/zinc/04/62/28/300046228.db2.gz JUIJPRYYNSRTHU-NSHDSACASA-N 1 1 338.412 0.890 20 5 ECBDMO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1CO ZINC000362087260 300161382 /nfs/dbraw/zinc/16/13/82/300161382.db2.gz AVZGSMODLXLQRU-VHSXEESVSA-N 1 1 337.332 0.822 20 5 ECBDMO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1CO ZINC000362087260 300161383 /nfs/dbraw/zinc/16/13/83/300161383.db2.gz AVZGSMODLXLQRU-VHSXEESVSA-N 1 1 337.332 0.822 20 5 ECBDMO NS(=O)(=O)N1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362801241 300222624 /nfs/dbraw/zinc/22/26/24/300222624.db2.gz CXZYJEURVROWMU-UHFFFAOYSA-N 1 1 328.394 0.349 20 5 ECBDMO C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000363300738 300259334 /nfs/dbraw/zinc/25/93/34/300259334.db2.gz YGQHATLZWDWHFL-GBOPCIDUSA-N 1 1 325.409 0.999 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363781326 300293115 /nfs/dbraw/zinc/29/31/15/300293115.db2.gz XQNVVNOJRURFSF-ZDUSSCGKSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000363781326 300293118 /nfs/dbraw/zinc/29/31/18/300293118.db2.gz XQNVVNOJRURFSF-ZDUSSCGKSA-N 1 1 329.378 0.727 20 5 ECBDMO O=[N+]([O-])c1cn(C[C@@H](O)C[NH+]2CCOCC2)nc1-c1ccncc1 ZINC000074798383 436139970 /nfs/dbraw/zinc/13/99/70/436139970.db2.gz SJMLECRHDSVTGZ-ZDUSSCGKSA-N 1 1 333.348 0.546 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC000373257603 301054667 /nfs/dbraw/zinc/05/46/67/301054667.db2.gz DGJXZDNHUZONNM-PHIMTYICSA-N 1 1 333.344 1.000 20 5 ECBDMO CC(C)C[N@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075741922 436172639 /nfs/dbraw/zinc/17/26/39/436172639.db2.gz UHHAWYYHMPQAMR-HNNXBMFYSA-N 1 1 325.413 0.816 20 5 ECBDMO CCNC(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359476 436234661 /nfs/dbraw/zinc/23/46/61/436234661.db2.gz YSUPBPPWHZHABD-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000092842553 436476226 /nfs/dbraw/zinc/47/62/26/436476226.db2.gz GJKWMGBSAOFLRG-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000092842553 436476227 /nfs/dbraw/zinc/47/62/27/436476227.db2.gz GJKWMGBSAOFLRG-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCn1cc[nH+]c1C ZINC000052364971 436508350 /nfs/dbraw/zinc/50/83/50/436508350.db2.gz JXASOFQVGJWJIT-UHFFFAOYSA-N 1 1 347.331 0.863 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000109066910 436622338 /nfs/dbraw/zinc/62/23/38/436622338.db2.gz AOGBQHPKMHLMOW-AOOOYVTPSA-N 1 1 329.378 0.974 20 5 ECBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000106396110 436594009 /nfs/dbraw/zinc/59/40/09/436594009.db2.gz VIPNKCWBPULSAK-LLVKDONJSA-N 1 1 340.355 0.845 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000106401836 436595035 /nfs/dbraw/zinc/59/50/35/436595035.db2.gz OCIXPGSOENBRLW-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000531864955 302064950 /nfs/dbraw/zinc/06/49/50/302064950.db2.gz QKZQKSCMRIZEEU-ZJUUUORDSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000531864955 302064954 /nfs/dbraw/zinc/06/49/54/302064954.db2.gz QKZQKSCMRIZEEU-ZJUUUORDSA-N 1 1 326.378 0.893 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000115519722 436646812 /nfs/dbraw/zinc/64/68/12/436646812.db2.gz TUBRDHOAGVQZDP-UHFFFAOYSA-N 1 1 336.392 0.977 20 5 ECBDMO Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000137068907 436655181 /nfs/dbraw/zinc/65/51/81/436655181.db2.gz HGIFRPQXXDQSAU-HNNXBMFYSA-N 1 1 330.344 0.780 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272453152 436714386 /nfs/dbraw/zinc/71/43/86/436714386.db2.gz BGCTXVALLJHDTN-CYBMUJFWSA-N 1 1 336.348 0.370 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272453152 436714389 /nfs/dbraw/zinc/71/43/89/436714389.db2.gz BGCTXVALLJHDTN-CYBMUJFWSA-N 1 1 336.348 0.370 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000195194097 436683150 /nfs/dbraw/zinc/68/31/50/436683150.db2.gz SSTBTNMHXYPOCL-OAHLLOKOSA-N 1 1 346.387 0.973 20 5 ECBDMO C[C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000121983766 436729634 /nfs/dbraw/zinc/72/96/34/436729634.db2.gz ZFGROTFEYZAHQC-ZDUSSCGKSA-N 1 1 335.408 0.759 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248888824 436811788 /nfs/dbraw/zinc/81/17/88/436811788.db2.gz FJMAVEUQEPMOEQ-NEPJUHHUSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248888824 436811791 /nfs/dbraw/zinc/81/17/91/436811791.db2.gz FJMAVEUQEPMOEQ-NEPJUHHUSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000128597393 436819276 /nfs/dbraw/zinc/81/92/76/436819276.db2.gz FZLWCMVIQNSKFQ-NEPJUHHUSA-N 1 1 337.380 0.620 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000128597393 436819278 /nfs/dbraw/zinc/81/92/78/436819278.db2.gz FZLWCMVIQNSKFQ-NEPJUHHUSA-N 1 1 337.380 0.620 20 5 ECBDMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273964858 436790308 /nfs/dbraw/zinc/79/03/08/436790308.db2.gz GXDYIDUEWDTPMI-YGRLFVJLSA-N 1 1 333.348 0.979 20 5 ECBDMO COC(=O)[C@H](C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247562294 436796187 /nfs/dbraw/zinc/79/61/87/436796187.db2.gz QXYCOHIGUSBUHN-ZWNOBZJWSA-N 1 1 326.353 0.426 20 5 ECBDMO CCOC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155693222 436800771 /nfs/dbraw/zinc/80/07/71/436800771.db2.gz JQKQVJWRLITIBM-DGCLKSJQSA-N 1 1 326.353 0.427 20 5 ECBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000134179158 436891117 /nfs/dbraw/zinc/89/11/17/436891117.db2.gz JXWNVFYAVJAMJV-LBPRGKRZSA-N 1 1 339.396 0.611 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[NH+](C[C@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275018182 436911745 /nfs/dbraw/zinc/91/17/45/436911745.db2.gz LHYKPSKQDPGKFF-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO COCCC[N@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000275520763 436978825 /nfs/dbraw/zinc/97/88/25/436978825.db2.gz VILISDPGQSGTLC-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COCCC[N@@H+](CCO)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000275520763 436978827 /nfs/dbraw/zinc/97/88/27/436978827.db2.gz VILISDPGQSGTLC-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO C[NH+]1CCN(c2cc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])ccn2)CC1 ZINC000136255159 436929108 /nfs/dbraw/zinc/92/91/08/436929108.db2.gz TZWUAQUDOVHCFT-UHFFFAOYSA-N 1 1 345.363 0.395 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000170691073 436949805 /nfs/dbraw/zinc/94/98/05/436949805.db2.gz LUGORDLJHZYMBR-ZDUSSCGKSA-N 1 1 342.421 0.642 20 5 ECBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000281174571 436952244 /nfs/dbraw/zinc/95/22/44/436952244.db2.gz LKYJUQIXZNYMMY-SECBINFHSA-N 1 1 329.154 0.621 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000275337522 436958232 /nfs/dbraw/zinc/95/82/32/436958232.db2.gz DGUVQETUEGTXEJ-UHFFFAOYSA-N 1 1 333.341 0.677 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000275587726 436986821 /nfs/dbraw/zinc/98/68/21/436986821.db2.gz DGMGKWXAIGEAKW-ZDUSSCGKSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000275587726 436986824 /nfs/dbraw/zinc/98/68/24/436986824.db2.gz DGMGKWXAIGEAKW-ZDUSSCGKSA-N 1 1 343.405 0.735 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000172413975 437014724 /nfs/dbraw/zinc/01/47/24/437014724.db2.gz RLYVBFBRGYURRS-JTQLQIEISA-N 1 1 325.369 0.578 20 5 ECBDMO C[C@H](O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276149021 437063054 /nfs/dbraw/zinc/06/30/54/437063054.db2.gz DNLCHJADQBPDPL-AVGNSLFASA-N 1 1 328.365 0.398 20 5 ECBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264771602 437082401 /nfs/dbraw/zinc/08/24/01/437082401.db2.gz QBYJQVXZXJCMBH-CYBMUJFWSA-N 1 1 337.336 0.479 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264771602 437082403 /nfs/dbraw/zinc/08/24/03/437082403.db2.gz QBYJQVXZXJCMBH-CYBMUJFWSA-N 1 1 337.336 0.479 20 5 ECBDMO Cc1nc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000305009982 437159149 /nfs/dbraw/zinc/15/91/49/437159149.db2.gz KCWCDUVQLOTJBS-ZDUSSCGKSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nnc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000305009982 437159152 /nfs/dbraw/zinc/15/91/52/437159152.db2.gz KCWCDUVQLOTJBS-ZDUSSCGKSA-N 1 1 335.368 0.458 20 5 ECBDMO C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000287294669 437175016 /nfs/dbraw/zinc/17/50/16/437175016.db2.gz UVIAXKPRQRAMRO-VIFPVBQESA-N 1 1 329.378 0.678 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000265746550 437185413 /nfs/dbraw/zinc/18/54/13/437185413.db2.gz HZVCJOFAPPLXDV-UHFFFAOYSA-N 1 1 333.352 0.182 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000287870380 437246590 /nfs/dbraw/zinc/24/65/90/437246590.db2.gz LQBWDUURHNYYOJ-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO COC(=O)C[C@H]1CSCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958167 437271436 /nfs/dbraw/zinc/27/14/36/437271436.db2.gz VYNPXNIRRSWGAM-JQWIXIFHSA-N 1 1 344.393 0.133 20 5 ECBDMO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000278790860 437343344 /nfs/dbraw/zinc/34/33/44/437343344.db2.gz DXQLEIHDPKRCLV-KRWDZBQOSA-N 1 1 344.371 0.696 20 5 ECBDMO O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000278790860 437343347 /nfs/dbraw/zinc/34/33/47/437343347.db2.gz DXQLEIHDPKRCLV-KRWDZBQOSA-N 1 1 344.371 0.696 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000330450016 437515014 /nfs/dbraw/zinc/51/50/14/437515014.db2.gz IEXIFQCSUKXMLL-LLVKDONJSA-N 1 1 345.425 0.964 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000330450016 437515018 /nfs/dbraw/zinc/51/50/18/437515018.db2.gz IEXIFQCSUKXMLL-LLVKDONJSA-N 1 1 345.425 0.964 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361558229 437672117 /nfs/dbraw/zinc/67/21/17/437672117.db2.gz VNOHXFMSENEADZ-CZUORRHYSA-N 1 1 332.360 0.897 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000370362148 437771192 /nfs/dbraw/zinc/77/11/92/437771192.db2.gz RQBVWUJDOKBFFO-NSHDSACASA-N 1 1 325.394 0.441 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000344055513 437725204 /nfs/dbraw/zinc/72/52/04/437725204.db2.gz LIMXTMHGYJOKRD-NWDGAFQWSA-N 1 1 338.412 0.895 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000363220412 437775669 /nfs/dbraw/zinc/77/56/69/437775669.db2.gz ZVIXSUCARAKCJX-HNNXBMFYSA-N 1 1 348.403 0.731 20 5 ECBDMO CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000371084434 437884266 /nfs/dbraw/zinc/88/42/66/437884266.db2.gz GZOZQXGGFNWQNE-CVEARBPZSA-N 1 1 338.452 0.964 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371285135 437911403 /nfs/dbraw/zinc/91/14/03/437911403.db2.gz XNYZQMMZSZDPRC-STQMWFEESA-N 1 1 337.380 0.469 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371285135 437911408 /nfs/dbraw/zinc/91/14/08/437911408.db2.gz XNYZQMMZSZDPRC-STQMWFEESA-N 1 1 337.380 0.469 20 5 ECBDMO O=C([C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCSCC1 ZINC000365848305 437979576 /nfs/dbraw/zinc/97/95/76/437979576.db2.gz ZCYLVOBYPLIMOB-LBPRGKRZSA-N 1 1 339.421 0.831 20 5 ECBDMO O=C([C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCSCC1 ZINC000365848305 437979580 /nfs/dbraw/zinc/97/95/80/437979580.db2.gz ZCYLVOBYPLIMOB-LBPRGKRZSA-N 1 1 339.421 0.831 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000371854181 438000981 /nfs/dbraw/zinc/00/09/81/438000981.db2.gz WAMBILFZORHVKI-STQMWFEESA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000371854181 438000986 /nfs/dbraw/zinc/00/09/86/438000986.db2.gz WAMBILFZORHVKI-STQMWFEESA-N 1 1 341.389 0.736 20 5 ECBDMO O=C1C[C@]2(CN1)CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762618 438059396 /nfs/dbraw/zinc/05/93/96/438059396.db2.gz VUBJTKXJPAKXOD-DYVFJYSZSA-N 1 1 349.387 0.937 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429313 438072097 /nfs/dbraw/zinc/07/20/97/438072097.db2.gz DZPWDEPCXSWUKI-RYUDHWBXSA-N 1 1 346.343 0.436 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429313 438072099 /nfs/dbraw/zinc/07/20/99/438072099.db2.gz DZPWDEPCXSWUKI-RYUDHWBXSA-N 1 1 346.343 0.436 20 5 ECBDMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182303 438134778 /nfs/dbraw/zinc/13/47/78/438134778.db2.gz HPWDBGVIDBMHQL-QWHCGFSZSA-N 1 1 338.364 0.427 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000373305992 438143217 /nfs/dbraw/zinc/14/32/17/438143217.db2.gz SXCYIIVNEVJCCF-CHWSQXEVSA-N 1 1 349.391 0.865 20 5 ECBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000349653393 438168698 /nfs/dbraw/zinc/16/86/98/438168698.db2.gz INMHTIHNYXOGJY-LLVKDONJSA-N 1 1 345.425 0.916 20 5 ECBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000349653393 438168703 /nfs/dbraw/zinc/16/87/03/438168703.db2.gz INMHTIHNYXOGJY-LLVKDONJSA-N 1 1 345.425 0.916 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358400010 438217620 /nfs/dbraw/zinc/21/76/20/438217620.db2.gz VUGQNNVMULSAAZ-HNNXBMFYSA-N 1 1 336.348 0.025 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000376432308 438281917 /nfs/dbraw/zinc/28/19/17/438281917.db2.gz DBNIVHCEHLXXHC-NSHDSACASA-N 1 1 336.348 0.606 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000376432308 438281921 /nfs/dbraw/zinc/28/19/21/438281921.db2.gz DBNIVHCEHLXXHC-NSHDSACASA-N 1 1 336.348 0.606 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367776383 438248530 /nfs/dbraw/zinc/24/85/30/438248530.db2.gz FBISMGUTZBWGQI-GHMZBOCLSA-N 1 1 349.343 0.707 20 5 ECBDMO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000359084494 438353499 /nfs/dbraw/zinc/35/34/99/438353499.db2.gz RBFJKGAXFPWLIT-ZDUSSCGKSA-N 1 1 345.359 0.467 20 5 ECBDMO O=C(NC[C@H](O)C[N@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000359084494 438353501 /nfs/dbraw/zinc/35/35/01/438353501.db2.gz RBFJKGAXFPWLIT-ZDUSSCGKSA-N 1 1 345.359 0.467 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@]1(CO)CCOC1 ZINC000359581282 438462994 /nfs/dbraw/zinc/46/29/94/438462994.db2.gz WRMXASHOBNUNSR-IUODEOHRSA-N 1 1 326.349 0.418 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000408338915 438557768 /nfs/dbraw/zinc/55/77/68/438557768.db2.gz MWLJITPUBCZQCI-ZDUSSCGKSA-N 1 1 335.364 0.302 20 5 ECBDMO COC[C@]1(CO)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000451929006 438615341 /nfs/dbraw/zinc/61/53/41/438615341.db2.gz LOFMATTWXIGRRU-QGZVFWFLSA-N 1 1 349.387 0.815 20 5 ECBDMO COC[C@]1(CO)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000451929006 438615345 /nfs/dbraw/zinc/61/53/45/438615345.db2.gz LOFMATTWXIGRRU-QGZVFWFLSA-N 1 1 349.387 0.815 20 5 ECBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000575037891 438733852 /nfs/dbraw/zinc/73/38/52/438733852.db2.gz KGCLTGUUXRIMPK-NSHDSACASA-N 1 1 338.389 0.693 20 5 ECBDMO CNc1nccc(C(=O)NCc2c[nH+]c(N(C)C)n2C)c1[N+](=O)[O-] ZINC000553128002 438745865 /nfs/dbraw/zinc/74/58/65/438745865.db2.gz WAKZHVZHNNRMER-UHFFFAOYSA-N 1 1 333.352 0.761 20 5 ECBDMO COc1ccc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864036 438846975 /nfs/dbraw/zinc/84/69/75/438846975.db2.gz XFXAOVGRYUAZIL-OLZOCXBDSA-N 1 1 335.360 0.885 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1COCCO1 ZINC000595735172 438850596 /nfs/dbraw/zinc/85/05/96/438850596.db2.gz DDQCUHJUXOPDLI-OLZOCXBDSA-N 1 1 326.349 0.682 20 5 ECBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000601445481 438897946 /nfs/dbraw/zinc/89/79/46/438897946.db2.gz CVCQZMQYGSHLFL-GFCCVEGCSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC(C[NH+]2CCOCC2)C1 ZINC000590558763 438932372 /nfs/dbraw/zinc/93/23/72/438932372.db2.gz UDYKGFCZNNCBCZ-UHFFFAOYSA-N 1 1 345.359 0.875 20 5 ECBDMO Nc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000596541567 438974350 /nfs/dbraw/zinc/97/43/50/438974350.db2.gz ZHJNQTHGVMPUQV-CQSZACIVSA-N 1 1 336.392 0.705 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1COC[C@H]1OC ZINC000459834442 439012404 /nfs/dbraw/zinc/01/24/04/439012404.db2.gz VVGYZWFCMMXKAR-WCQYABFASA-N 1 1 325.321 0.545 20 5 ECBDMO C[C@H](CO)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477997 439018882 /nfs/dbraw/zinc/01/88/82/439018882.db2.gz XRJFCVPBTYDWJU-NSHDSACASA-N 1 1 331.394 0.433 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCNC(C)=O ZINC000592151972 439167499 /nfs/dbraw/zinc/16/74/99/439167499.db2.gz IEUJPVJCRFSLHT-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO CCn1nc2c(cc1=O)C[N@H+](CCn1c(C)ncc1[N+](=O)[O-])CC2 ZINC000602784326 439135598 /nfs/dbraw/zinc/13/55/98/439135598.db2.gz MRQRQBPHYMFQLF-UHFFFAOYSA-N 1 1 332.364 0.735 20 5 ECBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597624738 439140761 /nfs/dbraw/zinc/14/07/61/439140761.db2.gz KKOYSNLBNVDNTF-CQSZACIVSA-N 1 1 348.403 0.870 20 5 ECBDMO Cc1cc(OCC(=O)NC[C@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597624949 439141205 /nfs/dbraw/zinc/14/12/05/439141205.db2.gz MHVZGIGFPHTZLQ-AWEZNQCLSA-N 1 1 348.403 0.788 20 5 ECBDMO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807087 439203219 /nfs/dbraw/zinc/20/32/19/439203219.db2.gz OFJQPRZBTHXYTF-NXEZZACHSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807087 439203222 /nfs/dbraw/zinc/20/32/22/439203222.db2.gz OFJQPRZBTHXYTF-NXEZZACHSA-N 1 1 337.332 0.965 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598895294 439324069 /nfs/dbraw/zinc/32/40/69/439324069.db2.gz YIFQTFDVQJLZPH-NSHDSACASA-N 1 1 335.364 0.784 20 5 ECBDMO COCCOCC[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000593118210 439344710 /nfs/dbraw/zinc/34/47/10/439344710.db2.gz TXPNXSDAWXWPGF-UHFFFAOYSA-N 1 1 327.385 0.072 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)nc1 ZINC000593531231 439394733 /nfs/dbraw/zinc/39/47/33/439394733.db2.gz PKVMKJMACIHDLM-NWDGAFQWSA-N 1 1 326.378 0.895 20 5 ECBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599301941 439424590 /nfs/dbraw/zinc/42/45/90/439424590.db2.gz FQQLOJCBXWCKII-SNVBAGLBSA-N 1 1 331.398 0.433 20 5 ECBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599301941 439424596 /nfs/dbraw/zinc/42/45/96/439424596.db2.gz FQQLOJCBXWCKII-SNVBAGLBSA-N 1 1 331.398 0.433 20 5 ECBDMO C[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000583218499 439436869 /nfs/dbraw/zinc/43/68/69/439436869.db2.gz ATQYADIISLWWLW-UHFFFAOYSA-N 1 1 334.376 0.877 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3C[C@@H](CO)[C@H](CO)C3)n2)c1 ZINC000599530870 439499667 /nfs/dbraw/zinc/49/96/67/439499667.db2.gz AXLWVIYXPFGCLY-RYUDHWBXSA-N 1 1 334.332 0.677 20 5 ECBDMO CN1CC(=O)N(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000595376689 439716778 /nfs/dbraw/zinc/71/67/78/439716778.db2.gz RXOFHUNDIFXOQS-LLVKDONJSA-N 1 1 348.363 0.370 20 5 ECBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600529228 439674443 /nfs/dbraw/zinc/67/44/43/439674443.db2.gz WWJOWQNYTDDZNV-GFCCVEGCSA-N 1 1 325.390 0.870 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600529148 439675236 /nfs/dbraw/zinc/67/52/36/439675236.db2.gz CIKVGMIHSIVFDI-CQSZACIVSA-N 1 1 345.359 0.577 20 5 ECBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000340378297 321037633 /nfs/dbraw/zinc/03/76/33/321037633.db2.gz QBGXONAKQIUAOM-TZMCWYRMSA-N 1 1 330.348 0.748 20 5 ECBDMO NC(=O)c1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])on1 ZINC000569686988 322661261 /nfs/dbraw/zinc/66/12/61/322661261.db2.gz VFIBXNXIPXCUDF-VIFPVBQESA-N 1 1 336.304 0.211 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183943461 528545941 /nfs/dbraw/zinc/54/59/41/528545941.db2.gz HCBGQLYBZOXDTP-UHFFFAOYSA-N 1 1 348.359 0.480 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000619474183 546330968 /nfs/dbraw/zinc/33/09/68/546330968.db2.gz IMKNKORCWCZBGZ-UHFFFAOYSA-N 1 1 329.378 0.978 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000619500140 546335746 /nfs/dbraw/zinc/33/57/46/546335746.db2.gz LRLOLHFORCFJHM-PHIMTYICSA-N 1 1 341.389 0.786 20 5 ECBDMO CC(C)c1[nH+]ccn1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000748843409 579329900 /nfs/dbraw/zinc/32/99/00/579329900.db2.gz BJSUYKVWEIMDSE-UHFFFAOYSA-N 1 1 333.348 0.893 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736149636 578411637 /nfs/dbraw/zinc/41/16/37/578411637.db2.gz VKYIIPLUWVLKKE-ZJUUUORDSA-N 1 1 348.367 0.061 20 5 ECBDMO Cc1nn(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000788381281 578835808 /nfs/dbraw/zinc/83/58/08/578835808.db2.gz HHQPECSULYXKKO-HNNXBMFYSA-N 1 1 330.348 0.817 20 5 ECBDMO Cc1nn(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000788381281 578835809 /nfs/dbraw/zinc/83/58/09/578835809.db2.gz HHQPECSULYXKKO-HNNXBMFYSA-N 1 1 330.348 0.817 20 5 ECBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@H+](C)CCO1 ZINC000770235645 579163132 /nfs/dbraw/zinc/16/31/32/579163132.db2.gz IUBQOEZNSQMOIA-NHYWBVRUSA-N 1 1 347.375 0.780 20 5 ECBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1C[N@@H+](C)CCO1 ZINC000770235645 579163134 /nfs/dbraw/zinc/16/31/34/579163134.db2.gz IUBQOEZNSQMOIA-NHYWBVRUSA-N 1 1 347.375 0.780 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581802 579284647 /nfs/dbraw/zinc/28/46/47/579284647.db2.gz MBUSFOYTGQUQIS-TZMCWYRMSA-N 1 1 343.405 0.642 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581802 579284648 /nfs/dbraw/zinc/28/46/48/579284648.db2.gz MBUSFOYTGQUQIS-TZMCWYRMSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591388 579285295 /nfs/dbraw/zinc/28/52/95/579285295.db2.gz OSLHENSOTUTSLG-OLZOCXBDSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591388 579285296 /nfs/dbraw/zinc/28/52/96/579285296.db2.gz OSLHENSOTUTSLG-OLZOCXBDSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592388 579285465 /nfs/dbraw/zinc/28/54/65/579285465.db2.gz NPOSRCUYEIWULC-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592388 579285466 /nfs/dbraw/zinc/28/54/66/579285466.db2.gz NPOSRCUYEIWULC-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000779312292 579315012 /nfs/dbraw/zinc/31/50/12/579315012.db2.gz ZNKIKAMCGPNQMP-LBPRGKRZSA-N 1 1 347.375 0.470 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000779312292 579315013 /nfs/dbraw/zinc/31/50/13/579315013.db2.gz ZNKIKAMCGPNQMP-LBPRGKRZSA-N 1 1 347.375 0.470 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714745 579546685 /nfs/dbraw/zinc/54/66/85/579546685.db2.gz CWBMDXUNSWRRJL-HOCLYGCPSA-N 1 1 348.359 0.271 20 5 ECBDMO C[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896580171 586259673 /nfs/dbraw/zinc/25/96/73/586259673.db2.gz LFHMHYODUNSBBU-JSGCOSHPSA-N 1 1 336.392 0.724 20 5 ECBDMO C[C@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000905644936 586908343 /nfs/dbraw/zinc/90/83/43/586908343.db2.gz UUMMKBLGIZWYBG-HUUCEWRRSA-N 1 1 336.436 0.896 20 5 ECBDMO O=C(CCCC[NH+]1CCOCC1)OCCn1ccc([N+](=O)[O-])n1 ZINC000803513935 587062661 /nfs/dbraw/zinc/06/26/61/587062661.db2.gz WVIABUBSIIQLRA-UHFFFAOYSA-N 1 1 326.353 0.837 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000817371335 587340107 /nfs/dbraw/zinc/34/01/07/587340107.db2.gz VNWILQMDSADPCV-LBPRGKRZSA-N 1 1 330.348 0.879 20 5 ECBDMO COCC[N@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821691320 587623752 /nfs/dbraw/zinc/62/37/52/587623752.db2.gz PZXWJQOFYIAVEC-UHFFFAOYSA-N 1 1 348.367 0.328 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000825291705 587929552 /nfs/dbraw/zinc/92/95/52/587929552.db2.gz AMJBGPHYMBCMIB-UHFFFAOYSA-N 1 1 338.339 0.580 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827415781 588119486 /nfs/dbraw/zinc/11/94/86/588119486.db2.gz LGZCKPYIQKEIRU-HIFRSBDPSA-N 1 1 337.376 0.543 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC000828404998 588176843 /nfs/dbraw/zinc/17/68/43/588176843.db2.gz GGWYZWCSGCQVNK-GFCCVEGCSA-N 1 1 329.397 0.918 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]1C ZINC000828404998 588176844 /nfs/dbraw/zinc/17/68/44/588176844.db2.gz GGWYZWCSGCQVNK-GFCCVEGCSA-N 1 1 329.397 0.918 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)n2nc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829848346 588344755 /nfs/dbraw/zinc/34/47/55/588344755.db2.gz ZWHXJLMGTUMJSG-VIFPVBQESA-N 1 1 326.313 0.425 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CN2CC[C@@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848488460 589297535 /nfs/dbraw/zinc/29/75/35/589297535.db2.gz CATKMVUZYIEZLZ-HIFRSBDPSA-N 1 1 346.387 0.936 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000853554084 589547879 /nfs/dbraw/zinc/54/78/79/589547879.db2.gz UNQCIHOXZXHXFE-ZDUSSCGKSA-N 1 1 348.359 0.867 20 5 ECBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856257305 589658228 /nfs/dbraw/zinc/65/82/28/589658228.db2.gz UXOBABVDSRCYCY-HOTGVXAUSA-N 1 1 349.387 0.686 20 5 ECBDMO COC(=O)[C@]12C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000878541184 590527142 /nfs/dbraw/zinc/52/71/42/590527142.db2.gz NAYSSUREBJCHLG-SWLSCSKDSA-N 1 1 338.364 0.611 20 5 ECBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC1CN(S(C)(=O)=O)C1 ZINC000930353627 611414904 /nfs/dbraw/zinc/41/49/04/611414904.db2.gz LRTJZWVIZVJQJC-UHFFFAOYSA-N 1 1 327.406 0.961 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000931405036 611536989 /nfs/dbraw/zinc/53/69/89/611536989.db2.gz FWOMZTHOUHOCRA-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1CO ZINC000931405036 611536991 /nfs/dbraw/zinc/53/69/91/611536991.db2.gz FWOMZTHOUHOCRA-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000931883128 611580620 /nfs/dbraw/zinc/58/06/20/611580620.db2.gz RFRZKUYTQCXGIY-OAHLLOKOSA-N 1 1 346.387 0.906 20 5 ECBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000931883128 611580623 /nfs/dbraw/zinc/58/06/23/611580623.db2.gz RFRZKUYTQCXGIY-OAHLLOKOSA-N 1 1 346.387 0.906 20 5 ECBDMO C[N@@H+]1CC[C@H]1CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000931882407 611580756 /nfs/dbraw/zinc/58/07/56/611580756.db2.gz MJWGFIKZDOERFG-HNNXBMFYSA-N 1 1 346.387 0.906 20 5 ECBDMO C[N@H+]1CC[C@H]1CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000931882407 611580759 /nfs/dbraw/zinc/58/07/59/611580759.db2.gz MJWGFIKZDOERFG-HNNXBMFYSA-N 1 1 346.387 0.906 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928092708 608674909 /nfs/dbraw/zinc/67/49/09/608674909.db2.gz IVFBDKVQKKCTEE-RYUDHWBXSA-N 1 1 325.394 0.487 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000179238953 609369046 /nfs/dbraw/zinc/36/90/46/609369046.db2.gz RHPYISWSDJYSLU-TXEJJXNPSA-N 1 1 325.369 0.359 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000912746097 609999065 /nfs/dbraw/zinc/99/90/65/609999065.db2.gz AMOVRBBRJCDEGZ-AWEZNQCLSA-N 1 1 332.360 0.684 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000912746097 609999067 /nfs/dbraw/zinc/99/90/67/609999067.db2.gz AMOVRBBRJCDEGZ-AWEZNQCLSA-N 1 1 332.360 0.684 20 5 ECBDMO O=C(CCN1CCNCC[NH2+]CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000923461148 611246742 /nfs/dbraw/zinc/24/67/42/611246742.db2.gz ZLRSNGILVIKEOC-UHFFFAOYSA-N 1 1 339.371 0.557 20 5 ECBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164683472 719698601 /nfs/dbraw/zinc/69/86/01/719698601.db2.gz KMYPKWQBTCLTKW-UHFFFAOYSA-N 1 1 349.391 0.409 20 5 ECBDMO CN(C)c1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccn1 ZINC000983647746 744989998 /nfs/dbraw/zinc/98/99/98/744989998.db2.gz BPCZTODBYBJOJR-KBUPBQIOSA-N 1 1 347.419 0.797 20 5 ECBDMO Cc1cnc(CN2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001000674248 745688143 /nfs/dbraw/zinc/68/81/43/745688143.db2.gz MWLFJMCVWFVOBL-HUUCEWRRSA-N 1 1 331.376 0.699 20 5 ECBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)CC(N)=O)CC1 ZINC000985347605 747762773 /nfs/dbraw/zinc/76/27/73/747762773.db2.gz GFTBKJKMPANZKS-UHFFFAOYSA-N 1 1 334.376 0.893 20 5 ECBDMO Cn1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001002784214 747781847 /nfs/dbraw/zinc/78/18/47/747781847.db2.gz ZPGIIXBMBTUUSZ-ZIAGYGMSSA-N 1 1 334.376 0.131 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105415271 747979713 /nfs/dbraw/zinc/97/97/13/747979713.db2.gz KVWZNNKMLXBLKF-UHFFFAOYSA-N 1 1 339.400 0.202 20 5 ECBDMO Cc1cc(C(=O)N2CCC([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)n[nH]1 ZINC000990085728 754705724 /nfs/dbraw/zinc/70/57/24/754705724.db2.gz VDYICAGRLXZBIQ-UHFFFAOYSA-N 1 1 347.379 0.754 20 5 ECBDMO CCOc1ccc(OCC[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126939465 756808905 /nfs/dbraw/zinc/80/89/05/756808905.db2.gz ZTUGGPUXNUQUFT-HUUCEWRRSA-N 1 1 337.376 0.835 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)on1 ZINC001048814539 757082782 /nfs/dbraw/zinc/08/27/82/757082782.db2.gz QUMSBEAITNWUAP-LYIQGSDWSA-N 1 1 336.348 0.239 20 5 ECBDMO Cn1c(Cl)cnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429708 757659245 /nfs/dbraw/zinc/65/92/45/757659245.db2.gz TUGMWOXGEQYTDA-GHMZBOCLSA-N 1 1 341.799 0.819 20 5 ECBDMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049122909 758033909 /nfs/dbraw/zinc/03/39/09/758033909.db2.gz OUNQIKCTWDFOPC-BETUJISGSA-N 1 1 342.359 0.917 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)NC/C=C/CNc1ccc([N+](=O)[O-])cn1 ZINC001107254702 758054278 /nfs/dbraw/zinc/05/42/78/758054278.db2.gz ZFMRZCMFTCVEQJ-OWOJBTEDSA-N 1 1 349.391 0.796 20 5 ECBDMO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022061509 758222771 /nfs/dbraw/zinc/22/27/71/758222771.db2.gz LMEYBUGBTUSLJW-DTHBNOIPSA-N 1 1 341.799 0.784 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)NC/C=C/CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107424805 758532254 /nfs/dbraw/zinc/53/22/54/758532254.db2.gz FNHLKWFMEXABRR-NSCUHMNNSA-N 1 1 346.347 0.985 20 5 ECBDMO Cn1cncc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516492 760412430 /nfs/dbraw/zinc/41/24/30/760412430.db2.gz DCDMTXXRELMFHI-ZIAGYGMSSA-N 1 1 333.392 0.510 20 5 ECBDMO NC(=O)CC(=O)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048732668 761066881 /nfs/dbraw/zinc/06/68/81/761066881.db2.gz JUGXNPNSMMCMCL-PHIMTYICSA-N 1 1 338.389 0.422 20 5 ECBDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048732668 761066889 /nfs/dbraw/zinc/06/68/89/761066889.db2.gz JUGXNPNSMMCMCL-PHIMTYICSA-N 1 1 338.389 0.422 20 5 ECBDMO CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055498256 768949053 /nfs/dbraw/zinc/94/90/53/768949053.db2.gz TYNPJBQSHPKJSC-CHWSQXEVSA-N 1 1 326.397 0.149 20 5 ECBDMO CCc1cccc(NC(=O)CN(C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001267194464 836958835 /nfs/dbraw/zinc/95/88/35/836958835.db2.gz QGBWSANOJCGRHK-HUUCEWRRSA-N 1 1 348.403 0.901 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(CC[NH2+]CCn2cccn2)CC1 ZINC001267908552 838777154 /nfs/dbraw/zinc/77/71/54/838777154.db2.gz IEUVXPOTLXDFDU-HUUCEWRRSA-N 1 1 335.408 0.767 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCO ZINC000428529493 210265831 /nfs/dbraw/zinc/26/58/31/210265831.db2.gz AQZKKIZKLKNJEO-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCO ZINC000428529493 210265833 /nfs/dbraw/zinc/26/58/33/210265833.db2.gz AQZKKIZKLKNJEO-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186768914 529901845 /nfs/dbraw/zinc/90/18/45/529901845.db2.gz YOAJTEDYNSSKHX-UHFFFAOYSA-N 1 1 334.376 0.877 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154303536 530061556 /nfs/dbraw/zinc/06/15/56/530061556.db2.gz IJWDUXGSEFBIIQ-HNNXBMFYSA-N 1 1 346.387 0.973 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000189350982 437592277 /nfs/dbraw/zinc/59/22/77/437592277.db2.gz LQKMFXVXSXIVJU-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO C[NH+](C)[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000131218411 223214725 /nfs/dbraw/zinc/21/47/25/223214725.db2.gz MGIJVHWPGAPIRJ-GFCCVEGCSA-N 1 1 336.352 0.986 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000191827046 239320724 /nfs/dbraw/zinc/32/07/24/239320724.db2.gz FHFLQCLCRPUAMQ-WDEREUQCSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000191827046 239320727 /nfs/dbraw/zinc/32/07/27/239320727.db2.gz FHFLQCLCRPUAMQ-WDEREUQCSA-N 1 1 325.369 0.338 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000111265105 220128159 /nfs/dbraw/zinc/12/81/59/220128159.db2.gz IIGLKLLTEZKCGC-CYBMUJFWSA-N 1 1 346.387 0.942 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000111265105 220128160 /nfs/dbraw/zinc/12/81/60/220128160.db2.gz IIGLKLLTEZKCGC-CYBMUJFWSA-N 1 1 346.387 0.942 20 5 ECBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264906294 247030110 /nfs/dbraw/zinc/03/01/10/247030110.db2.gz YSIKRAILXCCFJG-GFCCVEGCSA-N 1 1 349.391 0.204 20 5 ECBDMO COCC[N@H+](Cc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266587227 248372344 /nfs/dbraw/zinc/37/23/44/248372344.db2.gz NLMPVWVQAXCZLN-OAHLLOKOSA-N 1 1 335.364 0.696 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000450956582 211353926 /nfs/dbraw/zinc/35/39/26/211353926.db2.gz RRHLIGNEHQCYNH-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CCO)C[C@@H]2C)c1[N+](=O)[O-] ZINC000450956582 211353929 /nfs/dbraw/zinc/35/39/29/211353929.db2.gz RRHLIGNEHQCYNH-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO Cc1nc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450396702 211323172 /nfs/dbraw/zinc/32/31/72/211323172.db2.gz UDQRQIYIMHDAEV-SECBINFHSA-N 1 1 336.381 0.783 20 5 ECBDMO COc1cccc(C(=O)NCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000443919124 211044036 /nfs/dbraw/zinc/04/40/36/211044036.db2.gz SZBNYGYYDQTAQE-UHFFFAOYSA-N 1 1 336.392 0.971 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000411044442 208058206 /nfs/dbraw/zinc/05/82/06/208058206.db2.gz QBGLXKLLJPFVJC-MFKMUULPSA-N 1 1 346.343 0.665 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950816 208178108 /nfs/dbraw/zinc/17/81/08/208178108.db2.gz WRJLERQURDSRFL-TZMCWYRMSA-N 1 1 337.376 0.745 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)C1 ZINC000413923259 208379556 /nfs/dbraw/zinc/37/95/56/208379556.db2.gz QUDNDQQICNCXAE-CYBMUJFWSA-N 1 1 335.360 0.701 20 5 ECBDMO Cc1nn(CCC(=O)NCc2c[nH+]c(N(C)C)n2C)c(C)c1[N+](=O)[O-] ZINC000357613924 299600246 /nfs/dbraw/zinc/60/02/46/299600246.db2.gz IQMPLOSAJYPIIB-UHFFFAOYSA-N 1 1 349.395 0.914 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000192727050 165045071 /nfs/dbraw/zinc/04/50/71/165045071.db2.gz CBUALPFVRINPBI-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000194794140 165072144 /nfs/dbraw/zinc/07/21/44/165072144.db2.gz OMLGXPROTFJLFB-UHFFFAOYSA-N 1 1 341.331 0.997 20 5 ECBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000247146162 165155352 /nfs/dbraw/zinc/15/53/52/165155352.db2.gz XGMWGKHCFPCPCX-XGUBFFRZSA-N 1 1 340.380 0.421 20 5 ECBDMO C[NH2+][C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262023082 165278024 /nfs/dbraw/zinc/27/80/24/165278024.db2.gz DBGJKYJQGPHHNX-AWEZNQCLSA-N 1 1 332.364 0.817 20 5 ECBDMO C[C@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000122184490 222031298 /nfs/dbraw/zinc/03/12/98/222031298.db2.gz FZDHTYUNGXUCHC-CYBMUJFWSA-N 1 1 335.408 0.759 20 5 ECBDMO CNC(=O)NC(=O)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000029961056 263140444 /nfs/dbraw/zinc/14/04/44/263140444.db2.gz TUDILVAXCOJRNI-UHFFFAOYSA-N 1 1 335.364 0.563 20 5 ECBDMO Cc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000193536491 263167208 /nfs/dbraw/zinc/16/72/08/263167208.db2.gz LGYKXKOPFOCYPN-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193921822 263168262 /nfs/dbraw/zinc/16/82/62/263168262.db2.gz FLFHYCLTIHVOFQ-PHIMTYICSA-N 1 1 339.396 0.866 20 5 ECBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286240021 264382183 /nfs/dbraw/zinc/38/21/83/264382183.db2.gz ZNCITSBGPABWKV-WFASDCNBSA-N 1 1 348.403 0.989 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000294858449 265028813 /nfs/dbraw/zinc/02/88/13/265028813.db2.gz CUOFRELGENWDNN-LBPRGKRZSA-N 1 1 337.376 0.813 20 5 ECBDMO Cc1nc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000297398178 265145340 /nfs/dbraw/zinc/14/53/40/265145340.db2.gz FOIOWXPHDYAVMU-GFCCVEGCSA-N 1 1 334.380 0.436 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000443341608 281261299 /nfs/dbraw/zinc/26/12/99/281261299.db2.gz CUOIHOVIUSFXAZ-VXGBXAGGSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000443341608 281261301 /nfs/dbraw/zinc/26/13/01/281261301.db2.gz CUOIHOVIUSFXAZ-VXGBXAGGSA-N 1 1 325.365 0.905 20 5 ECBDMO C[C@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344603116 298041377 /nfs/dbraw/zinc/04/13/77/298041377.db2.gz QBVHEKOYAXAONF-SMDDNHRTSA-N 1 1 334.376 0.924 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000346015643 298213890 /nfs/dbraw/zinc/21/38/90/298213890.db2.gz OKOLBVALRPGRLX-UHFFFAOYSA-N 1 1 337.423 0.557 20 5 ECBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353412088 299046433 /nfs/dbraw/zinc/04/64/33/299046433.db2.gz ZSZFPGSDTKJQHU-INIZCTEOSA-N 1 1 345.359 0.685 20 5 ECBDMO CNC(=O)c1ccc(N2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000362217531 300172560 /nfs/dbraw/zinc/17/25/60/300172560.db2.gz IJBLWSFAFGKQCN-CYBMUJFWSA-N 1 1 334.376 0.865 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000363197494 300253626 /nfs/dbraw/zinc/25/36/26/300253626.db2.gz OLFWSLVQLQSSHX-VHSXEESVSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000363197494 300253629 /nfs/dbraw/zinc/25/36/29/300253629.db2.gz OLFWSLVQLQSSHX-VHSXEESVSA-N 1 1 347.418 0.798 20 5 ECBDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364004744 300316960 /nfs/dbraw/zinc/31/69/60/300316960.db2.gz CFOAHZJWOQVNFO-LLVKDONJSA-N 1 1 349.351 0.507 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000071862993 436017816 /nfs/dbraw/zinc/01/78/16/436017816.db2.gz KDMRSQTXNYJHTA-UHFFFAOYSA-N 1 1 346.391 0.838 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000375503102 301181317 /nfs/dbraw/zinc/18/13/17/301181317.db2.gz ZCPGWLRHKVQLEK-GFCCVEGCSA-N 1 1 336.392 0.582 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359319 436234627 /nfs/dbraw/zinc/23/46/27/436234627.db2.gz FJZYRFYBMRZHQO-UHFFFAOYSA-N 1 1 334.376 0.831 20 5 ECBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879936 436210577 /nfs/dbraw/zinc/21/05/77/436210577.db2.gz XOUQMJDSHGAOGF-GARJFASQSA-N 1 1 338.364 0.511 20 5 ECBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000029879936 436210581 /nfs/dbraw/zinc/21/05/81/436210581.db2.gz XOUQMJDSHGAOGF-GARJFASQSA-N 1 1 338.364 0.511 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090146442 436429344 /nfs/dbraw/zinc/42/93/44/436429344.db2.gz ALNFBGZZLLMSHZ-PWSUYJOCSA-N 1 1 335.364 0.754 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090146442 436429346 /nfs/dbraw/zinc/42/93/46/436429346.db2.gz ALNFBGZZLLMSHZ-PWSUYJOCSA-N 1 1 335.364 0.754 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054774130 436558727 /nfs/dbraw/zinc/55/87/27/436558727.db2.gz DXYAXVNRWRCUQJ-UHFFFAOYSA-N 1 1 338.339 0.674 20 5 ECBDMO NC(=O)[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000104680312 436561127 /nfs/dbraw/zinc/56/11/27/436561127.db2.gz XRLPJJKAVAPIPN-AWEZNQCLSA-N 1 1 346.343 0.978 20 5 ECBDMO NC(=O)[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCO1 ZINC000104680312 436561129 /nfs/dbraw/zinc/56/11/29/436561129.db2.gz XRLPJJKAVAPIPN-AWEZNQCLSA-N 1 1 346.343 0.978 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114645124 436642509 /nfs/dbraw/zinc/64/25/09/436642509.db2.gz HOTMBWSYVFAMME-CQSZACIVSA-N 1 1 344.375 0.967 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000548719280 302323296 /nfs/dbraw/zinc/32/32/96/302323296.db2.gz WDTZPDZPZBFZHX-UHFFFAOYSA-N 1 1 333.352 0.562 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)CC1 ZINC000065955325 436675780 /nfs/dbraw/zinc/67/57/80/436675780.db2.gz BIFDDDSOLVNNHM-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000152454304 436731154 /nfs/dbraw/zinc/73/11/54/436731154.db2.gz QVRVGIOQGAPZAI-LLVKDONJSA-N 1 1 336.348 0.566 20 5 ECBDMO COC(=O)Cn1cc(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nn1 ZINC000153366178 436754184 /nfs/dbraw/zinc/75/41/84/436754184.db2.gz OZBJUZWHMWMLGI-UHFFFAOYSA-N 1 1 345.359 0.960 20 5 ECBDMO COCC[N@@H+](C)CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273477036 436758290 /nfs/dbraw/zinc/75/82/90/436758290.db2.gz LNLHODMAZWCZCL-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)nc1 ZINC000245431753 436762703 /nfs/dbraw/zinc/76/27/03/436762703.db2.gz AXSFKCUTNSSZGP-TZMCWYRMSA-N 1 1 332.364 0.734 20 5 ECBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000126686741 436789914 /nfs/dbraw/zinc/78/99/14/436789914.db2.gz WCPYJTOAWCCSNZ-CMPLNLGQSA-N 1 1 325.369 0.362 20 5 ECBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000126686741 436789915 /nfs/dbraw/zinc/78/99/15/436789915.db2.gz WCPYJTOAWCCSNZ-CMPLNLGQSA-N 1 1 325.369 0.362 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155497245 436796130 /nfs/dbraw/zinc/79/61/30/436796130.db2.gz CSEXHQBYWJJWCP-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000155497245 436796134 /nfs/dbraw/zinc/79/61/34/436796134.db2.gz CSEXHQBYWJJWCP-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO CCNC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293213129 436857725 /nfs/dbraw/zinc/85/77/25/436857725.db2.gz RIKCICPZBJYDJF-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279648694 436830761 /nfs/dbraw/zinc/83/07/61/436830761.db2.gz BCBIPRKPIWJUIX-LBPRGKRZSA-N 1 1 336.392 0.846 20 5 ECBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000279648694 436830766 /nfs/dbraw/zinc/83/07/66/436830766.db2.gz BCBIPRKPIWJUIX-LBPRGKRZSA-N 1 1 336.392 0.846 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135699900 436923500 /nfs/dbraw/zinc/92/35/00/436923500.db2.gz FDVLJNHIWQRPBU-CYBMUJFWSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135699900 436923505 /nfs/dbraw/zinc/92/35/05/436923505.db2.gz FDVLJNHIWQRPBU-CYBMUJFWSA-N 1 1 343.409 0.291 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC1 ZINC000274973946 436902761 /nfs/dbraw/zinc/90/27/61/436902761.db2.gz AHVMWUDTIFJVRY-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)C2CCOCC2)c1 ZINC000275640049 436995725 /nfs/dbraw/zinc/99/57/25/436995725.db2.gz WGCQCSDTYWZSLK-OAHLLOKOSA-N 1 1 340.376 0.808 20 5 ECBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000263915895 437002152 /nfs/dbraw/zinc/00/21/52/437002152.db2.gz PUWAPJHAUPVTHU-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264649105 437058913 /nfs/dbraw/zinc/05/89/13/437058913.db2.gz WVXMVTWJNFOOCR-AWEZNQCLSA-N 1 1 349.391 0.734 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000276186886 437070341 /nfs/dbraw/zinc/07/03/41/437070341.db2.gz LFBDKZOJZKSZQR-MNOVXSKESA-N 1 1 341.364 0.606 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000276186886 437070344 /nfs/dbraw/zinc/07/03/44/437070344.db2.gz LFBDKZOJZKSZQR-MNOVXSKESA-N 1 1 341.364 0.606 20 5 ECBDMO Cc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000176657637 437152436 /nfs/dbraw/zinc/15/24/36/437152436.db2.gz OHCAKTQUIYOLLF-UHFFFAOYSA-N 1 1 349.391 0.379 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000331611590 437130508 /nfs/dbraw/zinc/13/05/08/437130508.db2.gz RRKYDUOFCCENLQ-LBPRGKRZSA-N 1 1 334.376 0.890 20 5 ECBDMO COCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176236936 437136929 /nfs/dbraw/zinc/13/69/29/437136929.db2.gz YDLAHIMRKSJTSU-LBPRGKRZSA-N 1 1 346.409 0.317 20 5 ECBDMO COCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176236936 437136933 /nfs/dbraw/zinc/13/69/33/437136933.db2.gz YDLAHIMRKSJTSU-LBPRGKRZSA-N 1 1 346.409 0.317 20 5 ECBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266931694 437267098 /nfs/dbraw/zinc/26/70/98/437267098.db2.gz SUXUXTFSJCASOB-LLVKDONJSA-N 1 1 331.398 0.053 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2N)cn1 ZINC000181411454 437319253 /nfs/dbraw/zinc/31/92/53/437319253.db2.gz ZFPYJMALCOKGPM-CYBMUJFWSA-N 1 1 330.348 0.697 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000339047655 437436589 /nfs/dbraw/zinc/43/65/89/437436589.db2.gz NHMNULTYJQDZJA-ZJUUUORDSA-N 1 1 331.398 0.572 20 5 ECBDMO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289870344 437446726 /nfs/dbraw/zinc/44/67/26/437446726.db2.gz QSFQTTOYYPQYGX-VIFPVBQESA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289870344 437446728 /nfs/dbraw/zinc/44/67/28/437446728.db2.gz QSFQTTOYYPQYGX-VIFPVBQESA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000290931874 437544897 /nfs/dbraw/zinc/54/48/97/437544897.db2.gz JXOZZDCQURMAEX-JTQLQIEISA-N 1 1 337.380 0.370 20 5 ECBDMO O=c1[nH]cnc2cc(NCC[N@@H+]3CCCOCC3)c([N+](=O)[O-])cc21 ZINC000188491154 437551183 /nfs/dbraw/zinc/55/11/83/437551183.db2.gz JHHIMFHPWYIYLR-UHFFFAOYSA-N 1 1 333.348 0.966 20 5 ECBDMO O=c1[nH]cnc2cc(NCC[N@H+]3CCCOCC3)c([N+](=O)[O-])cc21 ZINC000188491154 437551187 /nfs/dbraw/zinc/55/11/87/437551187.db2.gz JHHIMFHPWYIYLR-UHFFFAOYSA-N 1 1 333.348 0.966 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354470810 437624623 /nfs/dbraw/zinc/62/46/23/437624623.db2.gz AQHPLHQLRKSFCC-NSHDSACASA-N 1 1 349.391 0.494 20 5 ECBDMO COc1cc(S(=O)(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000192922252 437697501 /nfs/dbraw/zinc/69/75/01/437697501.db2.gz MUJKKRLKRSHQNQ-PHIMTYICSA-N 1 1 341.389 0.786 20 5 ECBDMO C[NH+](C)[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1O ZINC000292454045 437692667 /nfs/dbraw/zinc/69/26/67/437692667.db2.gz XCZSQCZBWWZXPF-RYUDHWBXSA-N 1 1 329.378 0.109 20 5 ECBDMO C[NH+](C)CCOc1cnccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356452724 437766382 /nfs/dbraw/zinc/76/63/82/437766382.db2.gz BEWWVWZXHUEHGA-UHFFFAOYSA-N 1 1 334.336 0.583 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000331235202 437724065 /nfs/dbraw/zinc/72/40/65/437724065.db2.gz SVLJVMNHXWLULU-NSHDSACASA-N 1 1 345.425 0.821 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347276896 437865641 /nfs/dbraw/zinc/86/56/41/437865641.db2.gz OGYNNQXMHYZWMR-MJBXVCDLSA-N 1 1 326.349 0.152 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1Cc1ccccc1 ZINC000357185555 437930174 /nfs/dbraw/zinc/93/01/74/437930174.db2.gz IUAMPCSMPROJFG-AWEZNQCLSA-N 1 1 344.375 0.572 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1Cc1ccccc1 ZINC000357185555 437930178 /nfs/dbraw/zinc/93/01/78/437930178.db2.gz IUAMPCSMPROJFG-AWEZNQCLSA-N 1 1 344.375 0.572 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000371261189 437904575 /nfs/dbraw/zinc/90/45/75/437904575.db2.gz VVDWROIPRHKOTD-MNOVXSKESA-N 1 1 337.380 0.863 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000371261189 437904579 /nfs/dbraw/zinc/90/45/79/437904579.db2.gz VVDWROIPRHKOTD-MNOVXSKESA-N 1 1 337.380 0.863 20 5 ECBDMO Cn1c(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000341853209 437910861 /nfs/dbraw/zinc/91/08/61/437910861.db2.gz QPNKTWFNMDLNIU-NSHDSACASA-N 1 1 337.380 0.251 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502097 437945540 /nfs/dbraw/zinc/94/55/40/437945540.db2.gz ZSLQVIPIEYFMRJ-RYUDHWBXSA-N 1 1 349.343 0.917 20 5 ECBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342216352 437982194 /nfs/dbraw/zinc/98/21/94/437982194.db2.gz CZCYIPSRRZHFNK-NSHDSACASA-N 1 1 336.392 0.975 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000416458281 437936880 /nfs/dbraw/zinc/93/68/80/437936880.db2.gz PPUALSIUJMQVET-UHFFFAOYSA-N 1 1 343.361 0.316 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000372054927 438028680 /nfs/dbraw/zinc/02/86/80/438028680.db2.gz IIJSISUNMWYBHG-AWEZNQCLSA-N 1 1 347.375 0.368 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000424997101 438006704 /nfs/dbraw/zinc/00/67/04/438006704.db2.gz FNASASXCRJOQII-UHFFFAOYSA-N 1 1 339.396 0.820 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000372279621 438061726 /nfs/dbraw/zinc/06/17/26/438061726.db2.gz AIUDNJIFJAITLR-AAEUAGOBSA-N 1 1 326.353 0.834 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366759639 438121228 /nfs/dbraw/zinc/12/12/28/438121228.db2.gz RASIDOGIYZYLIW-OCCSQVGLSA-N 1 1 348.359 0.513 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000358208916 438181739 /nfs/dbraw/zinc/18/17/39/438181739.db2.gz GVUNFLVJIHBXMC-CYBMUJFWSA-N 1 1 329.378 0.081 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000358215238 438184726 /nfs/dbraw/zinc/18/47/26/438184726.db2.gz RQZVCHBBJWAZBA-CYBMUJFWSA-N 1 1 329.378 0.081 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368059133 438280872 /nfs/dbraw/zinc/28/08/72/438280872.db2.gz XUBDWBJQBHDFQT-DGCLKSJQSA-N 1 1 332.360 0.910 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368059133 438280877 /nfs/dbraw/zinc/28/08/77/438280877.db2.gz XUBDWBJQBHDFQT-DGCLKSJQSA-N 1 1 332.360 0.910 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368057670 438282280 /nfs/dbraw/zinc/28/22/80/438282280.db2.gz VHKSPGLIXCWCMG-CMPLNLGQSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368057670 438282281 /nfs/dbraw/zinc/28/22/81/438282281.db2.gz VHKSPGLIXCWCMG-CMPLNLGQSA-N 1 1 348.359 0.610 20 5 ECBDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368089826 438286939 /nfs/dbraw/zinc/28/69/39/438286939.db2.gz ODBFIHDTBNURMJ-UHFFFAOYSA-N 1 1 342.421 0.909 20 5 ECBDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368089826 438286944 /nfs/dbraw/zinc/28/69/44/438286944.db2.gz ODBFIHDTBNURMJ-UHFFFAOYSA-N 1 1 342.421 0.909 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000368637199 438355807 /nfs/dbraw/zinc/35/58/07/438355807.db2.gz JSQNXOHGHRRVCD-VWYCJHECSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000368637199 438355811 /nfs/dbraw/zinc/35/58/11/438355811.db2.gz JSQNXOHGHRRVCD-VWYCJHECSA-N 1 1 346.343 0.516 20 5 ECBDMO CNC(=O)CN1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000368831176 438386689 /nfs/dbraw/zinc/38/66/89/438386689.db2.gz VLFFQABIXVSJOI-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO CNC(=O)CN1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000368831176 438386694 /nfs/dbraw/zinc/38/66/94/438386694.db2.gz VLFFQABIXVSJOI-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO CNC(=O)C[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000368831176 438386698 /nfs/dbraw/zinc/38/66/98/438386698.db2.gz VLFFQABIXVSJOI-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO CNC(=O)C[N@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000368831176 438386701 /nfs/dbraw/zinc/38/67/01/438386701.db2.gz VLFFQABIXVSJOI-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO C[N@@H+](CCCCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421008238 438459040 /nfs/dbraw/zinc/45/90/40/438459040.db2.gz IAUYVSSIQUYWOY-UHFFFAOYSA-N 1 1 345.421 0.968 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825419 438519644 /nfs/dbraw/zinc/51/96/44/438519644.db2.gz IRWYYHBDAWDKBJ-TZMCWYRMSA-N 1 1 337.380 0.143 20 5 ECBDMO O=C([C@H]1CCCO1)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369995766 438539536 /nfs/dbraw/zinc/53/95/36/438539536.db2.gz BQFTUEWPBCLVRO-CQSZACIVSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@H]1CCCO1)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369995766 438539538 /nfs/dbraw/zinc/53/95/38/438539538.db2.gz BQFTUEWPBCLVRO-CQSZACIVSA-N 1 1 337.380 0.505 20 5 ECBDMO Cn1cc([C@@H]2[C@H](CNc3ncc([N+](=O)[O-])c(N)n3)CCC[N@H+]2C)cn1 ZINC000370180373 438557734 /nfs/dbraw/zinc/55/77/34/438557734.db2.gz CCDUTXPUFQHXKF-GWCFXTLKSA-N 1 1 346.395 0.617 20 5 ECBDMO C[C@@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000494029170 438666775 /nfs/dbraw/zinc/66/67/75/438666775.db2.gz VGWLREWDSUZQHB-OCCSQVGLSA-N 1 1 344.375 0.966 20 5 ECBDMO O=C(CC[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451631775 438702017 /nfs/dbraw/zinc/70/20/17/438702017.db2.gz JGRDWDFUSXXXGY-TXEJJXNPSA-N 1 1 332.316 0.128 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548386797 438727926 /nfs/dbraw/zinc/72/79/26/438727926.db2.gz IRFAZBZVQODENH-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767854 438751570 /nfs/dbraw/zinc/75/15/70/438751570.db2.gz VRSSZNBJBATEOF-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767854 438751575 /nfs/dbraw/zinc/75/15/75/438751575.db2.gz VRSSZNBJBATEOF-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)NCCC[N@@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000456052222 438756503 /nfs/dbraw/zinc/75/65/03/438756503.db2.gz PJHBBKPJQCTRDL-UHFFFAOYSA-N 1 1 338.412 0.645 20 5 ECBDMO CNc1nc(C(=O)NCCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456052222 438756506 /nfs/dbraw/zinc/75/65/06/438756506.db2.gz PJHBBKPJQCTRDL-UHFFFAOYSA-N 1 1 338.412 0.645 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000595662466 438843073 /nfs/dbraw/zinc/84/30/73/438843073.db2.gz MZUFSVHRQWKGKA-IINYFYTJSA-N 1 1 337.332 0.762 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c1 ZINC000588861334 438845165 /nfs/dbraw/zinc/84/51/65/438845165.db2.gz QZHGKAYQFNVHSC-NEPJUHHUSA-N 1 1 335.360 0.885 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863006 438846394 /nfs/dbraw/zinc/84/63/94/438846394.db2.gz NUMSCPMEDZWRNJ-CHWSQXEVSA-N 1 1 337.380 0.157 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000517404564 438965914 /nfs/dbraw/zinc/96/59/14/438965914.db2.gz PWISSGAMNVLYBM-SNVBAGLBSA-N 1 1 337.332 0.774 20 5 ECBDMO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000602872991 439149718 /nfs/dbraw/zinc/14/97/18/439149718.db2.gz FZFFRCRXQTWION-SNVBAGLBSA-N 1 1 340.302 0.971 20 5 ECBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000602872991 439149725 /nfs/dbraw/zinc/14/97/25/439149725.db2.gz FZFFRCRXQTWION-SNVBAGLBSA-N 1 1 340.302 0.971 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCO[C@H]1C ZINC000489446075 439228272 /nfs/dbraw/zinc/22/82/72/439228272.db2.gz GBMCYFQONVHCAS-JSGCOSHPSA-N 1 1 325.365 0.882 20 5 ECBDMO COCC[N@@H+](C)CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000527201895 439259240 /nfs/dbraw/zinc/25/92/40/439259240.db2.gz FUSWDAOBNGNVHL-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO Cc1sc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000603510942 439267577 /nfs/dbraw/zinc/26/75/77/439267577.db2.gz GSDQRNXTSZDBAZ-UHFFFAOYSA-N 1 1 340.405 0.811 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598897496 439323265 /nfs/dbraw/zinc/32/32/65/439323265.db2.gz FPSNHMCVPLIPNU-CYBMUJFWSA-N 1 1 335.364 0.927 20 5 ECBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598615719 439288704 /nfs/dbraw/zinc/28/87/04/439288704.db2.gz CXECPBZTXFPNAA-UHFFFAOYSA-N 1 1 343.347 0.413 20 5 ECBDMO O=[N+]([O-])c1c(N[C@H]2CCc3c[nH+]cn3C2)ncnc1N1CCOCC1 ZINC000598624704 439291583 /nfs/dbraw/zinc/29/15/83/439291583.db2.gz FJZYOMLFPNZTRY-NSHDSACASA-N 1 1 345.363 0.845 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604198265 439300827 /nfs/dbraw/zinc/30/08/27/439300827.db2.gz FAGBOLFZGAGMPH-CYBMUJFWSA-N 1 1 334.376 0.925 20 5 ECBDMO COC(=O)c1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)cc(C)c1[N+](=O)[O-] ZINC000593505961 439390158 /nfs/dbraw/zinc/39/01/58/439390158.db2.gz ZBKVGPGXXOATPN-CYBMUJFWSA-N 1 1 335.360 0.945 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)n1 ZINC000599312908 439427645 /nfs/dbraw/zinc/42/76/45/439427645.db2.gz YTOSRNHGTFVQRY-LBPRGKRZSA-N 1 1 329.382 0.045 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000599313310 439429205 /nfs/dbraw/zinc/42/92/05/439429205.db2.gz IBZITYGHZMMTIJ-CYBMUJFWSA-N 1 1 343.409 0.435 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000599404713 439460637 /nfs/dbraw/zinc/46/06/37/439460637.db2.gz SEPWTWIVTVVLMR-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000599404713 439460640 /nfs/dbraw/zinc/46/06/40/439460640.db2.gz SEPWTWIVTVVLMR-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571778 439577295 /nfs/dbraw/zinc/57/72/95/439577295.db2.gz JKQHNNDACNPOCC-LLVKDONJSA-N 1 1 336.396 0.525 20 5 ECBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571778 439577301 /nfs/dbraw/zinc/57/73/01/439577301.db2.gz JKQHNNDACNPOCC-LLVKDONJSA-N 1 1 336.396 0.525 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000609624063 439581144 /nfs/dbraw/zinc/58/11/44/439581144.db2.gz SDZXWUXMSVXAPQ-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000609624063 439581149 /nfs/dbraw/zinc/58/11/49/439581149.db2.gz SDZXWUXMSVXAPQ-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000609624063 439581156 /nfs/dbraw/zinc/58/11/56/439581156.db2.gz SDZXWUXMSVXAPQ-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007635 439593409 /nfs/dbraw/zinc/59/34/09/439593409.db2.gz WOBUIVFRXLJJAO-UHFFFAOYSA-N 1 1 337.380 0.505 20 5 ECBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCCS1(=O)=O ZINC000610604509 439631158 /nfs/dbraw/zinc/63/11/58/439631158.db2.gz VOQQHDWZYHYWGJ-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1CCCS1(=O)=O ZINC000610604509 439631162 /nfs/dbraw/zinc/63/11/62/439631162.db2.gz VOQQHDWZYHYWGJ-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614845 439631343 /nfs/dbraw/zinc/63/13/43/439631343.db2.gz SLKSMIHAPXCULA-TXEJJXNPSA-N 1 1 339.348 0.360 20 5 ECBDMO COCC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000585702411 439643744 /nfs/dbraw/zinc/64/37/44/439643744.db2.gz FXVOFSXEYDNPBK-UHFFFAOYSA-N 1 1 349.391 0.554 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1 ZINC000587857202 439668774 /nfs/dbraw/zinc/66/87/74/439668774.db2.gz BMTMUCSWZGRGRC-NSHDSACASA-N 1 1 349.391 0.288 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000616176665 439812860 /nfs/dbraw/zinc/81/28/60/439812860.db2.gz ZZYUKSMHWYYQSF-UHFFFAOYSA-N 1 1 338.408 0.952 20 5 ECBDMO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000342605277 321095460 /nfs/dbraw/zinc/09/54/60/321095460.db2.gz NUUHCWUSEIBIMY-WFASDCNBSA-N 1 1 347.375 0.701 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)c([N+](=O)[O-])n1 ZINC000345364810 321184447 /nfs/dbraw/zinc/18/44/47/321184447.db2.gz IMXBMEXXRROGPA-UHFFFAOYSA-N 1 1 329.382 0.280 20 5 ECBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164743 321217256 /nfs/dbraw/zinc/21/72/56/321217256.db2.gz QAWIUHAFRMWNSM-GZBFAFLISA-N 1 1 348.403 0.945 20 5 ECBDMO O=C1NC(=O)N2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000352778027 321371130 /nfs/dbraw/zinc/37/11/30/321371130.db2.gz IUQLLOVTSMCCJL-CYBMUJFWSA-N 1 1 334.332 0.600 20 5 ECBDMO O=C1NC(=O)N2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000352778027 321371132 /nfs/dbraw/zinc/37/11/32/321371132.db2.gz IUQLLOVTSMCCJL-CYBMUJFWSA-N 1 1 334.332 0.600 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]CC(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000353758386 321412949 /nfs/dbraw/zinc/41/29/49/321412949.db2.gz LFVNHLRIWRRWBO-UHFFFAOYSA-N 1 1 337.332 0.515 20 5 ECBDMO C[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000546082088 322115053 /nfs/dbraw/zinc/11/50/53/322115053.db2.gz OQRXYGNNTKHJQN-UHFFFAOYSA-N 1 1 336.396 0.329 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000562370489 322271511 /nfs/dbraw/zinc/27/15/11/322271511.db2.gz PUUOUDAVFIQCCK-ZDUSSCGKSA-N 1 1 347.375 0.880 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000183944547 528550618 /nfs/dbraw/zinc/55/06/18/528550618.db2.gz ZARUHGRHAXWVMV-UHFFFAOYSA-N 1 1 348.363 0.220 20 5 ECBDMO CCN1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000190209844 529040628 /nfs/dbraw/zinc/04/06/28/529040628.db2.gz MYONJAVUNAZCMA-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO CCN1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000190209844 529040631 /nfs/dbraw/zinc/04/06/31/529040631.db2.gz MYONJAVUNAZCMA-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C[C@H](C)O ZINC000245972973 536128280 /nfs/dbraw/zinc/12/82/80/536128280.db2.gz WPBVQTYNZXHIMW-QWRGUYRKSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1C[C@H](C)O ZINC000245972973 536128285 /nfs/dbraw/zinc/12/82/85/536128285.db2.gz WPBVQTYNZXHIMW-QWRGUYRKSA-N 1 1 325.369 0.246 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236050415 545925921 /nfs/dbraw/zinc/92/59/21/545925921.db2.gz QYVHRAVQIGGOQS-MRVPVSSYSA-N 1 1 335.769 0.515 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000420431403 546211923 /nfs/dbraw/zinc/21/19/23/546211923.db2.gz XGCRIFBQCUEOBB-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000732149755 578320268 /nfs/dbraw/zinc/32/02/68/578320268.db2.gz OREKMBSEZNSZEY-AWEZNQCLSA-N 1 1 346.391 0.307 20 5 ECBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCOCC1 ZINC000736026238 578403984 /nfs/dbraw/zinc/40/39/84/578403984.db2.gz NQXSSABVCFSOGP-JTQLQIEISA-N 1 1 348.367 0.550 20 5 ECBDMO O=[N+]([O-])c1cnc(NCCC[NH+]2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000738374274 579624986 /nfs/dbraw/zinc/62/49/86/579624986.db2.gz MFISYIFKMIVUCQ-UHFFFAOYSA-N 1 1 334.340 0.304 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000743846631 579802783 /nfs/dbraw/zinc/80/27/83/579802783.db2.gz SDVNMKHILGXGQU-OLZOCXBDSA-N 1 1 326.353 0.380 20 5 ECBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000841456188 588988618 /nfs/dbraw/zinc/98/86/18/588988618.db2.gz DQDZTPHUKDZQHD-UWVGGRQHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000841456188 588988619 /nfs/dbraw/zinc/98/86/19/588988619.db2.gz DQDZTPHUKDZQHD-UWVGGRQHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2c3cc(F)ccc3ncc2[N+](=O)[O-])CC1 ZINC000892085242 586220495 /nfs/dbraw/zinc/22/04/95/586220495.db2.gz KYZDATQMUHYUEJ-UHFFFAOYSA-N 1 1 347.350 0.890 20 5 ECBDMO O=C(CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CC[NH2+]CC1 ZINC000843356456 589063509 /nfs/dbraw/zinc/06/35/09/589063509.db2.gz QSNAWHUKOSTUGL-UHFFFAOYSA-N 1 1 347.419 0.539 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082068 587115651 /nfs/dbraw/zinc/11/56/51/587115651.db2.gz YUAUQDJJANUFLD-BDJLRTHQSA-N 1 1 348.359 0.687 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840082068 587115653 /nfs/dbraw/zinc/11/56/53/587115653.db2.gz YUAUQDJJANUFLD-BDJLRTHQSA-N 1 1 348.359 0.687 20 5 ECBDMO Cc1cc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000816752191 587323289 /nfs/dbraw/zinc/32/32/89/587323289.db2.gz SWPBQBXJDATLLV-UHFFFAOYSA-N 1 1 347.419 0.805 20 5 ECBDMO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000823506632 587725332 /nfs/dbraw/zinc/72/53/32/587725332.db2.gz RDADXVHMUWALBN-BZUAXINKSA-N 1 1 331.372 0.976 20 5 ECBDMO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000823506632 587725333 /nfs/dbraw/zinc/72/53/33/587725333.db2.gz RDADXVHMUWALBN-BZUAXINKSA-N 1 1 331.372 0.976 20 5 ECBDMO O=Cc1ccc(OCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000846516403 589209126 /nfs/dbraw/zinc/20/91/26/589209126.db2.gz ZUCBACYQKAWMRD-CYBMUJFWSA-N 1 1 349.343 0.064 20 5 ECBDMO O=Cc1ccc(OCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000846516403 589209128 /nfs/dbraw/zinc/20/91/28/589209128.db2.gz ZUCBACYQKAWMRD-CYBMUJFWSA-N 1 1 349.343 0.064 20 5 ECBDMO Cn1cnnc1N1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000847036895 589233729 /nfs/dbraw/zinc/23/37/29/589233729.db2.gz LZVXOARYQVMFGA-CQSZACIVSA-N 1 1 332.364 0.579 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587073 589301379 /nfs/dbraw/zinc/30/13/79/589301379.db2.gz BZLWEVCPQTUNNI-CYBMUJFWSA-N 1 1 345.302 0.749 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+](C)C1 ZINC000854932722 589613327 /nfs/dbraw/zinc/61/33/27/589613327.db2.gz QQQXUWXGLFLVMM-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+](C)C1 ZINC000854932722 589613328 /nfs/dbraw/zinc/61/33/28/589613328.db2.gz QQQXUWXGLFLVMM-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000868343992 589894398 /nfs/dbraw/zinc/89/43/98/589894398.db2.gz MRCBWAWTHIPRRJ-OLZOCXBDSA-N 1 1 337.351 0.944 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863323182 590003513 /nfs/dbraw/zinc/00/35/13/590003513.db2.gz FXYYIPOQOQGIFD-SNVBAGLBSA-N 1 1 327.312 0.296 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865189369 590131911 /nfs/dbraw/zinc/13/19/11/590131911.db2.gz GSHHZWYJCVUJCN-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665775 590139855 /nfs/dbraw/zinc/13/98/55/590139855.db2.gz SRPXEZMROPAWIW-VXGBXAGGSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000872665775 590139856 /nfs/dbraw/zinc/13/98/56/590139856.db2.gz SRPXEZMROPAWIW-VXGBXAGGSA-N 1 1 326.378 0.847 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000935711707 611396109 /nfs/dbraw/zinc/39/61/09/611396109.db2.gz JBMVHBCOGURYAM-TXEJJXNPSA-N 1 1 339.396 0.667 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000935711707 611396110 /nfs/dbraw/zinc/39/61/10/611396110.db2.gz JBMVHBCOGURYAM-TXEJJXNPSA-N 1 1 339.396 0.667 20 5 ECBDMO C[N@@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000931403086 611536408 /nfs/dbraw/zinc/53/64/08/611536408.db2.gz IWGUXMCOUBFDJR-LSDHHAIUSA-N 1 1 334.376 0.308 20 5 ECBDMO C[N@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000931403086 611536409 /nfs/dbraw/zinc/53/64/09/611536409.db2.gz IWGUXMCOUBFDJR-LSDHHAIUSA-N 1 1 334.376 0.308 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928094686 611673715 /nfs/dbraw/zinc/67/37/15/611673715.db2.gz BWTVOOTVNOIAAB-KOLCDFICSA-N 1 1 325.394 0.638 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928094686 611673717 /nfs/dbraw/zinc/67/37/17/611673717.db2.gz BWTVOOTVNOIAAB-KOLCDFICSA-N 1 1 325.394 0.638 20 5 ECBDMO CCN(C(=O)C1CC[NH+](C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000936083099 609069966 /nfs/dbraw/zinc/06/99/66/609069966.db2.gz NCPPMICLNGMFPU-ZIAGYGMSSA-N 1 1 338.408 0.053 20 5 ECBDMO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000920023120 609671606 /nfs/dbraw/zinc/67/16/06/609671606.db2.gz XSHYRJPYOXHKJL-FZMZJTMJSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920023120 609671607 /nfs/dbraw/zinc/67/16/07/609671607.db2.gz XSHYRJPYOXHKJL-FZMZJTMJSA-N 1 1 342.421 0.507 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000920206192 609675101 /nfs/dbraw/zinc/67/51/01/609675101.db2.gz FPUWGDZIFQQCBZ-UHFFFAOYSA-N 1 1 337.376 0.924 20 5 ECBDMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)n1 ZINC001025768034 739933570 /nfs/dbraw/zinc/93/35/70/739933570.db2.gz ZLAUCPCBZXGLEJ-WDNDVIMCSA-N 1 1 342.359 0.584 20 5 ECBDMO O=C(Cn1nccn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025806532 739985727 /nfs/dbraw/zinc/98/57/27/739985727.db2.gz VGXAQLBUNAXMIC-VIKVFOODSA-N 1 1 342.359 0.433 20 5 ECBDMO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000997772637 743802427 /nfs/dbraw/zinc/80/24/27/743802427.db2.gz PPBLHZITCLNDGD-ZIAGYGMSSA-N 1 1 333.392 0.778 20 5 ECBDMO Cn1nnc(C(=O)NC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC001003447465 748564432 /nfs/dbraw/zinc/56/44/32/748564432.db2.gz RSSNSLDYLJOBES-UHFFFAOYSA-N 1 1 345.363 0.513 20 5 ECBDMO Cc1nccnc1C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764226 751074992 /nfs/dbraw/zinc/07/49/92/751074992.db2.gz PXVABTQZTXDJCT-UKRRQHHQSA-N 1 1 345.403 0.875 20 5 ECBDMO NC(=O)C1(C(=O)N2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000981865262 751216851 /nfs/dbraw/zinc/21/68/51/751216851.db2.gz RBXCUQBXYACLPM-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO NC(=O)C1(C(=O)N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000981865262 751216857 /nfs/dbraw/zinc/21/68/57/751216857.db2.gz RBXCUQBXYACLPM-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO O=C(NCC[NH2+]CCc1ccc2c(c1)OCCO2)[C@@H]1CC1[N+](=O)[O-] ZINC001126936926 756767159 /nfs/dbraw/zinc/76/71/59/756767159.db2.gz XEYPIDFAXBISAL-CHWSQXEVSA-N 1 1 335.360 0.371 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2C1 ZINC001048814353 757081583 /nfs/dbraw/zinc/08/15/83/757081583.db2.gz HDISKLYMZGRAPE-QKPAOTATSA-N 1 1 337.420 0.859 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC3CCOCC3)C[C@@H]2C1 ZINC001048814353 757081588 /nfs/dbraw/zinc/08/15/88/757081588.db2.gz HDISKLYMZGRAPE-QKPAOTATSA-N 1 1 337.420 0.859 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2C1 ZINC001048814353 757081593 /nfs/dbraw/zinc/08/15/93/757081593.db2.gz HDISKLYMZGRAPE-QKPAOTATSA-N 1 1 337.420 0.859 20 5 ECBDMO CCc1nocc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814715 757083379 /nfs/dbraw/zinc/08/33/79/757083379.db2.gz ZIRIUGUTEQGNKX-NDPMZMCLSA-N 1 1 334.376 0.792 20 5 ECBDMO CCc1nocc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814715 757083385 /nfs/dbraw/zinc/08/33/85/757083385.db2.gz ZIRIUGUTEQGNKX-NDPMZMCLSA-N 1 1 334.376 0.792 20 5 ECBDMO CCc1nocc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814715 757083390 /nfs/dbraw/zinc/08/33/90/757083390.db2.gz ZIRIUGUTEQGNKX-NDPMZMCLSA-N 1 1 334.376 0.792 20 5 ECBDMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048914085 757388463 /nfs/dbraw/zinc/38/84/63/757388463.db2.gz NXZWGPXFFLPADG-PHIMTYICSA-N 1 1 348.388 0.978 20 5 ECBDMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048914085 757388472 /nfs/dbraw/zinc/38/84/72/757388472.db2.gz NXZWGPXFFLPADG-PHIMTYICSA-N 1 1 348.388 0.978 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001048692385 760950814 /nfs/dbraw/zinc/95/08/14/760950814.db2.gz BDSYLKUENLIHLN-PHIMTYICSA-N 1 1 345.363 0.255 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001048692385 760950819 /nfs/dbraw/zinc/95/08/19/760950819.db2.gz BDSYLKUENLIHLN-PHIMTYICSA-N 1 1 345.363 0.255 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1 ZINC001048692385 760950824 /nfs/dbraw/zinc/95/08/24/760950824.db2.gz BDSYLKUENLIHLN-PHIMTYICSA-N 1 1 345.363 0.255 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1 ZINC001048692385 760950830 /nfs/dbraw/zinc/95/08/30/760950830.db2.gz BDSYLKUENLIHLN-PHIMTYICSA-N 1 1 345.363 0.255 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1c[nH]c(=O)cn1 ZINC001031930861 763644034 /nfs/dbraw/zinc/64/40/34/763644034.db2.gz GTOVLDWSRANUJX-UHFFFAOYSA-N 1 1 343.343 0.540 20 5 ECBDMO Cc1nn(C)c(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020138991 772205502 /nfs/dbraw/zinc/20/55/02/772205502.db2.gz LMEYBUGBTUSLJW-DNRKLUKYSA-N 1 1 341.799 0.784 20 5 ECBDMO CN(CC[NH2+]Cc1cc(C(F)(F)F)nn1C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371683 837272009 /nfs/dbraw/zinc/27/20/09/837272009.db2.gz QQVZQXMFJRPRCP-NXEZZACHSA-N 1 1 349.313 0.652 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000129565180 529845941 /nfs/dbraw/zinc/84/59/41/529845941.db2.gz VQBUADPXLDEVAT-UHFFFAOYSA-N 1 1 339.396 0.759 20 5 ECBDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051323 299190296 /nfs/dbraw/zinc/19/02/96/299190296.db2.gz NCMOSGCZAOUWKP-NHYWBVRUSA-N 1 1 338.364 0.790 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O)C1CC1 ZINC000312731840 201065827 /nfs/dbraw/zinc/06/58/27/201065827.db2.gz STEBHRJFYJLKQN-JTQLQIEISA-N 1 1 346.181 0.974 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246631078 205218906 /nfs/dbraw/zinc/21/89/06/205218906.db2.gz DZIMRDLHISMHFQ-MNOVXSKESA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246631078 205218909 /nfs/dbraw/zinc/21/89/09/205218909.db2.gz DZIMRDLHISMHFQ-MNOVXSKESA-N 1 1 325.369 0.013 20 5 ECBDMO Cn1cc([C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@H]2CO)cn1 ZINC000444745787 211096298 /nfs/dbraw/zinc/09/62/98/211096298.db2.gz ATXCOSSURARRMA-ZFWWWQNUSA-N 1 1 347.375 0.198 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000444384888 211076220 /nfs/dbraw/zinc/07/62/20/211076220.db2.gz OBCHLQXDXQAIHV-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000416293787 208618406 /nfs/dbraw/zinc/61/84/06/208618406.db2.gz KHHNKUFLPAJSBC-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000416293787 208618409 /nfs/dbraw/zinc/61/84/09/208618409.db2.gz KHHNKUFLPAJSBC-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428789527 210284740 /nfs/dbraw/zinc/28/47/40/210284740.db2.gz ZBFOLXFEEWCWQR-CYBMUJFWSA-N 1 1 343.405 0.939 20 5 ECBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495870665 255051873 /nfs/dbraw/zinc/05/18/73/255051873.db2.gz VHTAPBULLWUWMU-STQMWFEESA-N 1 1 341.368 0.315 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCC(F)(F)F)C[C@H](O)CO)c1 ZINC000084867559 263142689 /nfs/dbraw/zinc/14/26/89/263142689.db2.gz PHONEVXRTOUNDC-JTQLQIEISA-N 1 1 326.275 0.399 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCC(F)(F)F)C[C@H](O)CO)c1 ZINC000084867559 263142690 /nfs/dbraw/zinc/14/26/90/263142690.db2.gz PHONEVXRTOUNDC-JTQLQIEISA-N 1 1 326.275 0.399 20 5 ECBDMO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000269646168 263194628 /nfs/dbraw/zinc/19/46/28/263194628.db2.gz SNXCONJBDQHCQX-OLZOCXBDSA-N 1 1 336.392 0.993 20 5 ECBDMO Cc1c(CC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000269689606 263197661 /nfs/dbraw/zinc/19/76/61/263197661.db2.gz JXPJGAHQONCKGR-OAHLLOKOSA-N 1 1 348.403 0.902 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000285911004 264350757 /nfs/dbraw/zinc/35/07/57/264350757.db2.gz DKJCJUSSWBRFKI-ZDUSSCGKSA-N 1 1 330.348 0.697 20 5 ECBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093469 264369765 /nfs/dbraw/zinc/36/97/65/264369765.db2.gz SXMPAEZYRGTOAN-HIFRSBDPSA-N 1 1 336.392 0.552 20 5 ECBDMO COCCOC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000295003186 265038852 /nfs/dbraw/zinc/03/88/52/265038852.db2.gz AEKQGKKGKBKVCN-AWEZNQCLSA-N 1 1 339.392 0.741 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)CCCO ZINC000299203665 265348582 /nfs/dbraw/zinc/34/85/82/265348582.db2.gz GNRQAIPNFUSQCF-UHFFFAOYSA-N 1 1 341.364 0.609 20 5 ECBDMO C[C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000121983970 278151467 /nfs/dbraw/zinc/15/14/67/278151467.db2.gz ZFGROTFEYZAHQC-CYBMUJFWSA-N 1 1 335.408 0.759 20 5 ECBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1(O)CCOCC1 ZINC000189775518 437611626 /nfs/dbraw/zinc/61/16/26/437611626.db2.gz MZNPSUPLTJLLAJ-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000364004745 300317035 /nfs/dbraw/zinc/31/70/35/300317035.db2.gz CFOAHZJWOQVNFO-NSHDSACASA-N 1 1 349.351 0.507 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000364510845 300363241 /nfs/dbraw/zinc/36/32/41/300363241.db2.gz YFLKLUQIILCALC-ZIAGYGMSSA-N 1 1 333.348 0.873 20 5 ECBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691073 300378735 /nfs/dbraw/zinc/37/87/35/300378735.db2.gz PZUVEDGMWNDGHD-LNSITVRQSA-N 1 1 338.364 0.427 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCOCC1 ZINC000072665154 436051763 /nfs/dbraw/zinc/05/17/63/436051763.db2.gz ZZELVRGCAQNBMQ-CYBMUJFWSA-N 1 1 349.391 0.771 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCOCC1 ZINC000072665154 436051769 /nfs/dbraw/zinc/05/17/69/436051769.db2.gz ZZELVRGCAQNBMQ-CYBMUJFWSA-N 1 1 349.391 0.771 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000373547128 301067142 /nfs/dbraw/zinc/06/71/42/301067142.db2.gz RZMKVDUEIZZEPW-ZMSDIMECSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373547128 301067144 /nfs/dbraw/zinc/06/71/44/301067144.db2.gz RZMKVDUEIZZEPW-ZMSDIMECSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000373547128 301067146 /nfs/dbraw/zinc/06/71/46/301067146.db2.gz RZMKVDUEIZZEPW-ZMSDIMECSA-N 1 1 333.388 0.747 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000032270443 436236536 /nfs/dbraw/zinc/23/65/36/436236536.db2.gz DLJMGLWGHTVBDY-ZDUSSCGKSA-N 1 1 325.369 0.264 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000081017124 436336718 /nfs/dbraw/zinc/33/67/18/436336718.db2.gz GUPCRGJNZOSCNA-UHFFFAOYSA-N 1 1 347.375 0.724 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000052590685 436511044 /nfs/dbraw/zinc/51/10/44/436511044.db2.gz CKLBYUQFMXHZQE-ZDUSSCGKSA-N 1 1 348.407 0.916 20 5 ECBDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000104095510 436557832 /nfs/dbraw/zinc/55/78/32/436557832.db2.gz BPUBJJBDXONXNQ-UHFFFAOYSA-N 1 1 342.421 0.656 20 5 ECBDMO COCC[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109130654 436623639 /nfs/dbraw/zinc/62/36/39/436623639.db2.gz IWZAEMTUBOSCAH-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@H+]1CC[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000543613019 302216042 /nfs/dbraw/zinc/21/60/42/302216042.db2.gz OPCZUDDUNHHREH-NSHDSACASA-N 1 1 341.389 0.436 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000552309094 302389819 /nfs/dbraw/zinc/38/98/19/302389819.db2.gz VOMSWQNNWGMMRJ-UHFFFAOYSA-N 1 1 334.376 0.418 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000271473483 436690551 /nfs/dbraw/zinc/69/05/51/436690551.db2.gz ZFHVHEXMBHIEIE-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000271473483 436690554 /nfs/dbraw/zinc/69/05/54/436690554.db2.gz ZFHVHEXMBHIEIE-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194767733 436670565 /nfs/dbraw/zinc/67/05/65/436670565.db2.gz PRWOTYFTWBMWFM-TXEJJXNPSA-N 1 1 339.396 0.667 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000194767733 436670568 /nfs/dbraw/zinc/67/05/68/436670568.db2.gz PRWOTYFTWBMWFM-TXEJJXNPSA-N 1 1 339.396 0.667 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C[C@@H](C)O ZINC000125267765 436767957 /nfs/dbraw/zinc/76/79/57/436767957.db2.gz WPBVQTYNZXHIMW-GHMZBOCLSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1C[C@@H](C)O ZINC000125267765 436767961 /nfs/dbraw/zinc/76/79/61/436767961.db2.gz WPBVQTYNZXHIMW-GHMZBOCLSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000249496931 436821530 /nfs/dbraw/zinc/82/15/30/436821530.db2.gz HBQWRIDLQGYGNM-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO CN(C(=O)C[NH2+][C@@H](CO)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000273924508 436788136 /nfs/dbraw/zinc/78/81/36/436788136.db2.gz BSQOHZAWIIHIGG-AWEZNQCLSA-N 1 1 333.348 0.614 20 5 ECBDMO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(=O)(=O)CC ZINC000247698836 436797215 /nfs/dbraw/zinc/79/72/15/436797215.db2.gz XGSZLCVGIJHRJD-DGCLKSJQSA-N 1 1 348.425 0.297 20 5 ECBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)CS(=O)(=O)CC ZINC000247698836 436797219 /nfs/dbraw/zinc/79/72/19/436797219.db2.gz XGSZLCVGIJHRJD-DGCLKSJQSA-N 1 1 348.425 0.297 20 5 ECBDMO O=C([C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCSCC1 ZINC000157959469 436837222 /nfs/dbraw/zinc/83/72/22/436837222.db2.gz AFUAQEAZTDSCRC-ZDUSSCGKSA-N 1 1 339.421 0.831 20 5 ECBDMO O=C([C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)N1CCSCC1 ZINC000157959469 436837227 /nfs/dbraw/zinc/83/72/27/436837227.db2.gz AFUAQEAZTDSCRC-ZDUSSCGKSA-N 1 1 339.421 0.831 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000275400742 436964553 /nfs/dbraw/zinc/96/45/53/436964553.db2.gz BUZWVDNQAZJWQL-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000275400742 436964555 /nfs/dbraw/zinc/96/45/55/436964555.db2.gz BUZWVDNQAZJWQL-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO Nc1c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc(F)cc1[N+](=O)[O-] ZINC000295418463 436967434 /nfs/dbraw/zinc/96/74/34/436967434.db2.gz JWNSMLZNUQCSNX-NSHDSACASA-N 1 1 340.355 0.893 20 5 ECBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1[nH]ncc1[N+](=O)[O-] ZINC000294269550 436946166 /nfs/dbraw/zinc/94/61/66/436946166.db2.gz RBFJKGAXFPWLIT-CYBMUJFWSA-N 1 1 345.359 0.467 20 5 ECBDMO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000294269550 436946171 /nfs/dbraw/zinc/94/61/71/436946171.db2.gz RBFJKGAXFPWLIT-CYBMUJFWSA-N 1 1 345.359 0.467 20 5 ECBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1n[nH]cc1[N+](=O)[O-] ZINC000294269550 436946175 /nfs/dbraw/zinc/94/61/75/436946175.db2.gz RBFJKGAXFPWLIT-CYBMUJFWSA-N 1 1 345.359 0.467 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000281242997 436957256 /nfs/dbraw/zinc/95/72/56/436957256.db2.gz UPKSDIYZHWODOZ-QGZVFWFLSA-N 1 1 346.387 0.942 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264453337 437032770 /nfs/dbraw/zinc/03/27/70/437032770.db2.gz DDDHGZHJYVZCSP-LLVKDONJSA-N 1 1 341.339 0.950 20 5 ECBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299474245 437082163 /nfs/dbraw/zinc/08/21/63/437082163.db2.gz CLERLWFFMLUXQM-NSHDSACASA-N 1 1 333.348 0.714 20 5 ECBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174823680 437087585 /nfs/dbraw/zinc/08/75/85/437087585.db2.gz QWOXTDMZXHBSEB-GFCCVEGCSA-N 1 1 345.425 0.585 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264868062 437098880 /nfs/dbraw/zinc/09/88/80/437098880.db2.gz RXLYLPQEAPSWEV-ZDUSSCGKSA-N 1 1 349.391 0.204 20 5 ECBDMO CC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264851792 437093913 /nfs/dbraw/zinc/09/39/13/437093913.db2.gz BZZJTPDXOMAWGA-UHFFFAOYSA-N 1 1 329.378 0.680 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000264851792 437093919 /nfs/dbraw/zinc/09/39/19/437093919.db2.gz BZZJTPDXOMAWGA-UHFFFAOYSA-N 1 1 329.378 0.680 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276480699 437113577 /nfs/dbraw/zinc/11/35/77/437113577.db2.gz GALXJKPWUNNJNM-UHFFFAOYSA-N 1 1 330.348 0.873 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000265407557 437124556 /nfs/dbraw/zinc/12/45/56/437124556.db2.gz WEDJBIDICRVCRC-UHFFFAOYSA-N 1 1 338.364 0.536 20 5 ECBDMO COCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176236920 437136617 /nfs/dbraw/zinc/13/66/17/437136617.db2.gz YDLAHIMRKSJTSU-GFCCVEGCSA-N 1 1 346.409 0.317 20 5 ECBDMO COCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCS(=O)(=O)C1 ZINC000176236920 437136623 /nfs/dbraw/zinc/13/66/23/437136623.db2.gz YDLAHIMRKSJTSU-GFCCVEGCSA-N 1 1 346.409 0.317 20 5 ECBDMO O=C([C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287617373 437211741 /nfs/dbraw/zinc/21/17/41/437211741.db2.gz ZPEDHKFJGJECBL-OCCSQVGLSA-N 1 1 337.380 0.097 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178531227 437218328 /nfs/dbraw/zinc/21/83/28/437218328.db2.gz YKWNAETVHSSBEJ-AAEUAGOBSA-N 1 1 340.380 0.816 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN([C@@H](CC)CO)CC2)c1[N+](=O)[O-] ZINC000179330203 437259540 /nfs/dbraw/zinc/25/95/40/437259540.db2.gz GFWGYFOPZRATCD-JTQLQIEISA-N 1 1 325.369 0.409 20 5 ECBDMO C[C@H](O)C[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000289824675 437443752 /nfs/dbraw/zinc/44/37/52/437443752.db2.gz OIGKMDBIJJFDIT-JTQLQIEISA-N 1 1 329.328 0.738 20 5 ECBDMO O=C1NC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000269004048 437444759 /nfs/dbraw/zinc/44/47/59/437444759.db2.gz KSOBIJBNKYJYLI-ZDUSSCGKSA-N 1 1 348.359 0.006 20 5 ECBDMO O=C1NC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000269004048 437444763 /nfs/dbraw/zinc/44/47/63/437444763.db2.gz KSOBIJBNKYJYLI-ZDUSSCGKSA-N 1 1 348.359 0.006 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](CCO)[C@H](C)C1 ZINC000187676805 437511721 /nfs/dbraw/zinc/51/17/21/437511721.db2.gz ZVDKOXVXQYQWNH-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187676805 437511725 /nfs/dbraw/zinc/51/17/25/437511725.db2.gz ZVDKOXVXQYQWNH-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556054 437671000 /nfs/dbraw/zinc/67/10/00/437671000.db2.gz DZQGGQZHPPVMSG-IHRRRGAJSA-N 1 1 340.376 0.806 20 5 ECBDMO Cc1n[nH]c(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000331027968 437674246 /nfs/dbraw/zinc/67/42/46/437674246.db2.gz CTSVGHDYZFKXQB-UHFFFAOYSA-N 1 1 338.412 0.772 20 5 ECBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000331288525 437733288 /nfs/dbraw/zinc/73/32/88/437733288.db2.gz ILSBGDAVZNTFFE-UHFFFAOYSA-N 1 1 336.392 0.995 20 5 ECBDMO Cc1c(Br)c(N2CC[NH2+][C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000347437444 437888934 /nfs/dbraw/zinc/88/89/34/437888934.db2.gz VHHMTIRYPLZFTG-ZETCQYMHSA-N 1 1 344.169 0.324 20 5 ECBDMO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000347886638 437974816 /nfs/dbraw/zinc/97/48/16/437974816.db2.gz OPFZJMVBNPHDSC-ZDUSSCGKSA-N 1 1 336.392 0.969 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366759148 438121985 /nfs/dbraw/zinc/12/19/85/438121985.db2.gz PLHMAJSZHYDMBG-KGLIPLIRSA-N 1 1 348.359 0.513 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358189641 438177154 /nfs/dbraw/zinc/17/71/54/438177154.db2.gz BBCMHHRDJQEEOL-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358198400 438177794 /nfs/dbraw/zinc/17/77/94/438177794.db2.gz MLZFNEXRSBBZNP-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000367994473 438274658 /nfs/dbraw/zinc/27/46/58/438274658.db2.gz SCPFJPUGUWHDPI-NSHDSACASA-N 1 1 332.360 0.681 20 5 ECBDMO C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419131000 438337668 /nfs/dbraw/zinc/33/76/68/438337668.db2.gz BTSXVQNVANXFGA-QMMMGPOBSA-N 1 1 330.291 0.482 20 5 ECBDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007094 438410433 /nfs/dbraw/zinc/41/04/33/438410433.db2.gz CETKFPYFJPVCPO-LBPRGKRZSA-N 1 1 345.425 0.758 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000438284167 438474662 /nfs/dbraw/zinc/47/46/62/438474662.db2.gz YGWDRKDYNDPOAK-IJLUTSLNSA-N 1 1 337.380 0.950 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352791305 438476514 /nfs/dbraw/zinc/47/65/14/438476514.db2.gz HQZYLFYKNAEAST-KGLIPLIRSA-N 1 1 339.348 0.624 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000396086130 438448548 /nfs/dbraw/zinc/44/85/48/438448548.db2.gz XPEDDIPQFLSSGY-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000369783920 438515075 /nfs/dbraw/zinc/51/50/75/438515075.db2.gz XICGMQUCTBXBRP-TZMCWYRMSA-N 1 1 332.364 0.822 20 5 ECBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000493944564 438660107 /nfs/dbraw/zinc/66/01/07/438660107.db2.gz JREAGQOJCMUNCI-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000451664036 438704885 /nfs/dbraw/zinc/70/48/85/438704885.db2.gz NFUGHDSDXNYVDT-CYBMUJFWSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000451664036 438704888 /nfs/dbraw/zinc/70/48/88/438704888.db2.gz NFUGHDSDXNYVDT-CYBMUJFWSA-N 1 1 343.405 0.720 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](CCOC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455685905 438751481 /nfs/dbraw/zinc/75/14/81/438751481.db2.gz SLWHGWPDDZYATQ-LLVKDONJSA-N 1 1 337.380 0.824 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](CCOC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455685905 438751485 /nfs/dbraw/zinc/75/14/85/438751485.db2.gz SLWHGWPDDZYATQ-LLVKDONJSA-N 1 1 337.380 0.824 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CCc3c[nH+]cn3C2)c([N+](=O)[O-])c1 ZINC000588067615 438816712 /nfs/dbraw/zinc/81/67/12/438816712.db2.gz CLHOVXYHZVPTIO-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO COC(=O)C1([N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CCC1 ZINC000595538908 438818715 /nfs/dbraw/zinc/81/87/15/438818715.db2.gz WQSJEZZZCLTPPU-ZDUSSCGKSA-N 1 1 338.364 0.712 20 5 ECBDMO COC(=O)C1([N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CCC1 ZINC000595538908 438818719 /nfs/dbraw/zinc/81/87/19/438818719.db2.gz WQSJEZZZCLTPPU-ZDUSSCGKSA-N 1 1 338.364 0.712 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601129729 438821503 /nfs/dbraw/zinc/82/15/03/438821503.db2.gz ABRDKQOLTVYGQD-LBPRGKRZSA-N 1 1 337.355 0.872 20 5 ECBDMO CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658459 438840623 /nfs/dbraw/zinc/84/06/23/438840623.db2.gz JLJYJUDYDXGRAT-CZUORRHYSA-N 1 1 340.376 0.808 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860519 438844125 /nfs/dbraw/zinc/84/41/25/438844125.db2.gz GRYZIXIVESCJFA-UONOGXRCSA-N 1 1 335.360 0.641 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590281503 438907084 /nfs/dbraw/zinc/90/70/84/438907084.db2.gz OBLOSYUXCYARMA-GWCFXTLKSA-N 1 1 348.359 0.704 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590400845 438918409 /nfs/dbraw/zinc/91/84/09/438918409.db2.gz ZMNNHRLWUWNAOO-UHFFFAOYSA-N 1 1 348.403 0.679 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590440740 438923583 /nfs/dbraw/zinc/92/35/83/438923583.db2.gz BJPPUDSHGNPIKW-GXTWGEPZSA-N 1 1 332.360 0.487 20 5 ECBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000517031384 438948163 /nfs/dbraw/zinc/94/81/63/438948163.db2.gz PEOKDSVKQIOOFZ-JTQLQIEISA-N 1 1 342.359 0.988 20 5 ECBDMO COCCOCC[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596291701 438951213 /nfs/dbraw/zinc/95/12/13/438951213.db2.gz OCEVFTZWDGMTNP-UHFFFAOYSA-N 1 1 326.353 0.480 20 5 ECBDMO NC(=O)c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537903 438973509 /nfs/dbraw/zinc/97/35/09/438973509.db2.gz JMPDOXLGRGPCTP-CYBMUJFWSA-N 1 1 334.376 0.729 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000566066301 439001286 /nfs/dbraw/zinc/00/12/86/439001286.db2.gz LQNVHBJUZLRRRJ-OLZOCXBDSA-N 1 1 328.394 0.360 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000566066301 439001289 /nfs/dbraw/zinc/00/12/89/439001289.db2.gz LQNVHBJUZLRRRJ-OLZOCXBDSA-N 1 1 328.394 0.360 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000186958382 533698266 /nfs/dbraw/zinc/69/82/66/533698266.db2.gz QGQQOZTUCVQHCV-GHMZBOCLSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000186958382 533698273 /nfs/dbraw/zinc/69/82/73/533698273.db2.gz QGQQOZTUCVQHCV-GHMZBOCLSA-N 1 1 347.375 0.998 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000602194620 439036356 /nfs/dbraw/zinc/03/63/56/439036356.db2.gz KOOOOALADCCIBE-UHFFFAOYSA-N 1 1 338.339 0.580 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602194743 439036371 /nfs/dbraw/zinc/03/63/71/439036371.db2.gz MVGIEGYZNAJVRL-UHFFFAOYSA-N 1 1 338.339 0.580 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000597626999 439142984 /nfs/dbraw/zinc/14/29/84/439142984.db2.gz WGVXECKDCMKRAM-LLVKDONJSA-N 1 1 348.359 0.443 20 5 ECBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000602903141 439154646 /nfs/dbraw/zinc/15/46/46/439154646.db2.gz BUEMHYBCRJUMKW-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000602903141 439154650 /nfs/dbraw/zinc/15/46/50/439154650.db2.gz BUEMHYBCRJUMKW-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000602903141 439154653 /nfs/dbraw/zinc/15/46/53/439154653.db2.gz BUEMHYBCRJUMKW-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602905870 439158533 /nfs/dbraw/zinc/15/85/33/439158533.db2.gz URSICAMJNHRMSD-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602905870 439158537 /nfs/dbraw/zinc/15/85/37/439158537.db2.gz URSICAMJNHRMSD-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601185 439212700 /nfs/dbraw/zinc/21/27/00/439212700.db2.gz RWLOXFMEEHEXOC-NSHDSACASA-N 1 1 344.393 0.379 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601185 439212705 /nfs/dbraw/zinc/21/27/05/439212705.db2.gz RWLOXFMEEHEXOC-NSHDSACASA-N 1 1 344.393 0.379 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000598901627 439323127 /nfs/dbraw/zinc/32/31/27/439323127.db2.gz AWILILAIWNMGCT-RISCZKNCSA-N 1 1 347.375 0.879 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665527 439299996 /nfs/dbraw/zinc/29/99/96/439299996.db2.gz PYWUFTBJLQSQBC-UHFFFAOYSA-N 1 1 331.279 0.427 20 5 ECBDMO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000599085744 439353167 /nfs/dbraw/zinc/35/31/67/439353167.db2.gz BDAMMFMQQKTIQG-SNVBAGLBSA-N 1 1 328.394 0.736 20 5 ECBDMO C[C@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000593342148 439369026 /nfs/dbraw/zinc/36/90/26/439369026.db2.gz KTEIGWYNJHGYET-INIZCTEOSA-N 1 1 344.375 0.967 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)nc1 ZINC000593531230 439393596 /nfs/dbraw/zinc/39/35/96/439393596.db2.gz PKVMKJMACIHDLM-NEPJUHHUSA-N 1 1 326.378 0.895 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593551000 439401749 /nfs/dbraw/zinc/40/17/49/439401749.db2.gz PPEHDDXPUVNZTM-PWSUYJOCSA-N 1 1 328.394 0.951 20 5 ECBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593554297 439402633 /nfs/dbraw/zinc/40/26/33/439402633.db2.gz VFBDXAPXMNNPBL-NSHDSACASA-N 1 1 328.394 0.952 20 5 ECBDMO CC(C)NC(=O)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507174 439388502 /nfs/dbraw/zinc/38/85/02/439388502.db2.gz DYBPDQBYZCZCJV-CQSZACIVSA-N 1 1 348.403 0.988 20 5 ECBDMO CC(C)NC(=O)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507174 439388509 /nfs/dbraw/zinc/38/85/09/439388509.db2.gz DYBPDQBYZCZCJV-CQSZACIVSA-N 1 1 348.403 0.988 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2C[C@@H](CO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000599531447 439498645 /nfs/dbraw/zinc/49/86/45/439498645.db2.gz XXWSXXDTZIJSPN-AGIUHOORSA-N 1 1 337.376 0.763 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594420432 439558014 /nfs/dbraw/zinc/55/80/14/439558014.db2.gz TVCMXVXUYQDXMZ-STQMWFEESA-N 1 1 334.376 0.890 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000609306843 439562580 /nfs/dbraw/zinc/56/25/80/439562580.db2.gz FIZBYXKCIQWSJG-CYBMUJFWSA-N 1 1 349.391 0.488 20 5 ECBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108330 439515507 /nfs/dbraw/zinc/51/55/07/439515507.db2.gz SGKCBKHCKPCDTM-RWMBFGLXSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108330 439515512 /nfs/dbraw/zinc/51/55/12/439515512.db2.gz SGKCBKHCKPCDTM-RWMBFGLXSA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108331 439516500 /nfs/dbraw/zinc/51/65/00/439516500.db2.gz SGKCBKHCKPCDTM-UPJWGTAASA-N 1 1 339.396 0.795 20 5 ECBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594108331 439516503 /nfs/dbraw/zinc/51/65/03/439516503.db2.gz SGKCBKHCKPCDTM-UPJWGTAASA-N 1 1 339.396 0.795 20 5 ECBDMO COc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939529 439580636 /nfs/dbraw/zinc/58/06/36/439580636.db2.gz WKMPWQQLCZLDAN-OLZOCXBDSA-N 1 1 335.360 0.885 20 5 ECBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)CO ZINC000609895004 439592092 /nfs/dbraw/zinc/59/20/92/439592092.db2.gz XZXPOMFSKXKKTA-UHFFFAOYSA-N 1 1 325.321 0.965 20 5 ECBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)(C)CO ZINC000609895004 439592095 /nfs/dbraw/zinc/59/20/95/439592095.db2.gz XZXPOMFSKXKKTA-UHFFFAOYSA-N 1 1 325.321 0.965 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594754534 439602192 /nfs/dbraw/zinc/60/21/92/439602192.db2.gz LWCIQSLPFBBOIY-NSHDSACASA-N 1 1 326.378 0.752 20 5 ECBDMO CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594762665 439604226 /nfs/dbraw/zinc/60/42/26/439604226.db2.gz JSNUXJRYHPOARZ-NSHDSACASA-N 1 1 346.409 0.625 20 5 ECBDMO Cc1c(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600099609 439614354 /nfs/dbraw/zinc/61/43/54/439614354.db2.gz PEYFKTRFYPXIIQ-NSHDSACASA-N 1 1 336.348 0.025 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000610707635 439640800 /nfs/dbraw/zinc/64/08/00/439640800.db2.gz RQELARCISYGMQI-UHFFFAOYSA-N 1 1 334.376 0.370 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600409904 439654711 /nfs/dbraw/zinc/65/47/11/439654711.db2.gz IHBIICFPENJZPN-UHFFFAOYSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1noc(CN2CC[NH+](CCC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000595346183 439709339 /nfs/dbraw/zinc/70/93/39/439709339.db2.gz GTLUUVPYFREMFA-UHFFFAOYSA-N 1 1 325.369 0.487 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000344813511 321165544 /nfs/dbraw/zinc/16/55/44/321165544.db2.gz MFAPGUVUGLNIEA-UHFFFAOYSA-N 1 1 338.364 0.998 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352795812 321372436 /nfs/dbraw/zinc/37/24/36/321372436.db2.gz FUPHLUJVJAOJKY-OLZOCXBDSA-N 1 1 339.348 0.624 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000183987490 528548155 /nfs/dbraw/zinc/54/81/55/528548155.db2.gz YVURQQFZQHUFFV-UHFFFAOYSA-N 1 1 348.363 0.220 20 5 ECBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000236054931 545926569 /nfs/dbraw/zinc/92/65/69/545926569.db2.gz VXBJNKFBGIRPKQ-VIFPVBQESA-N 1 1 335.769 0.515 20 5 ECBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000750080925 579347372 /nfs/dbraw/zinc/34/73/72/579347372.db2.gz KLMWWEIHCDCXPX-SMDDNHRTSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCS(=O)(=O)C1 ZINC000750080925 579347373 /nfs/dbraw/zinc/34/73/73/579347373.db2.gz KLMWWEIHCDCXPX-SMDDNHRTSA-N 1 1 328.390 0.995 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110237 579347495 /nfs/dbraw/zinc/34/74/95/579347495.db2.gz ZTZGSNVDLMOKCS-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110237 579347496 /nfs/dbraw/zinc/34/74/96/579347496.db2.gz ZTZGSNVDLMOKCS-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000752294784 579382781 /nfs/dbraw/zinc/38/27/81/579382781.db2.gz DLIRTCAOFNWASZ-UHFFFAOYSA-N 1 1 334.376 0.867 20 5 ECBDMO COC(=O)c1cnc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000790770680 578881696 /nfs/dbraw/zinc/88/16/96/578881696.db2.gz AYQLHEBZJSJPNJ-UHFFFAOYSA-N 1 1 338.364 0.671 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591926 579285323 /nfs/dbraw/zinc/28/53/23/579285323.db2.gz LKKQDBCLNPZYKE-KBPBESRZSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591926 579285324 /nfs/dbraw/zinc/28/53/24/579285324.db2.gz LKKQDBCLNPZYKE-KBPBESRZSA-N 1 1 348.359 0.597 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCOCC3)C2)c(-c2nn[nH]n2)c1 ZINC000738371737 579624829 /nfs/dbraw/zinc/62/48/29/579624829.db2.gz XNIUJVOSXIFXJP-LBPRGKRZSA-N 1 1 345.363 0.686 20 5 ECBDMO NS(=O)(=O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000743862724 579802756 /nfs/dbraw/zinc/80/27/56/579802756.db2.gz IVHFKQQDFYANKI-UHFFFAOYSA-N 1 1 329.378 0.727 20 5 ECBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000746671395 579843091 /nfs/dbraw/zinc/84/30/91/579843091.db2.gz LECHMAMNNGORTO-SNVBAGLBSA-N 1 1 335.286 0.886 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000746671395 579843092 /nfs/dbraw/zinc/84/30/92/579843092.db2.gz LECHMAMNNGORTO-SNVBAGLBSA-N 1 1 335.286 0.886 20 5 ECBDMO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000748351962 579858069 /nfs/dbraw/zinc/85/80/69/579858069.db2.gz VDDYMOILOFOVPM-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000748351962 579858070 /nfs/dbraw/zinc/85/80/70/579858070.db2.gz VDDYMOILOFOVPM-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO CN1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000892417612 586264845 /nfs/dbraw/zinc/26/48/45/586264845.db2.gz FQVFWFVHOTYXID-UHFFFAOYSA-N 1 1 335.408 0.984 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000893939986 586367444 /nfs/dbraw/zinc/36/74/44/586367444.db2.gz LMTZSAKAQCEZJL-YGRLFVJLSA-N 1 1 340.405 0.643 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@H+](C)[C@H](CO)C2)c2ccccc21 ZINC000894891165 586417707 /nfs/dbraw/zinc/41/77/07/586417707.db2.gz ZNDXGJOOHFKUBN-NSHDSACASA-N 1 1 332.360 0.559 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](CO)C2)c2ccccc21 ZINC000894891165 586417709 /nfs/dbraw/zinc/41/77/09/586417709.db2.gz ZNDXGJOOHFKUBN-NSHDSACASA-N 1 1 332.360 0.559 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000894957243 586420920 /nfs/dbraw/zinc/42/09/20/586420920.db2.gz DYWHVXDHERHWQP-UHFFFAOYSA-N 1 1 332.364 0.681 20 5 ECBDMO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000820456350 587534426 /nfs/dbraw/zinc/53/44/26/587534426.db2.gz SYIWBQBBNBRWMC-RNCFNFMXSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000820456350 587534428 /nfs/dbraw/zinc/53/44/28/587534428.db2.gz SYIWBQBBNBRWMC-RNCFNFMXSA-N 1 1 333.352 0.906 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821329131 587585940 /nfs/dbraw/zinc/58/59/40/587585940.db2.gz VSVLKHYXPHBQKH-BETUJISGSA-N 1 1 332.360 0.943 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000821329131 587585941 /nfs/dbraw/zinc/58/59/41/587585941.db2.gz VSVLKHYXPHBQKH-BETUJISGSA-N 1 1 332.360 0.943 20 5 ECBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824302754 587866623 /nfs/dbraw/zinc/86/66/23/587866623.db2.gz DECYCEBJPLKEPC-XUWVNRHRSA-N 1 1 331.372 0.976 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000826707617 588079916 /nfs/dbraw/zinc/07/99/16/588079916.db2.gz KIABGJUSFFWFIU-CYBMUJFWSA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000826707617 588079919 /nfs/dbraw/zinc/07/99/19/588079919.db2.gz KIABGJUSFFWFIU-CYBMUJFWSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000829576597 588330764 /nfs/dbraw/zinc/33/07/64/588330764.db2.gz DICNTPNOWYPXBY-LLVKDONJSA-N 1 1 334.376 0.982 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000829576597 588330766 /nfs/dbraw/zinc/33/07/66/588330766.db2.gz DICNTPNOWYPXBY-LLVKDONJSA-N 1 1 334.376 0.982 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000109067171 589356700 /nfs/dbraw/zinc/35/67/00/589356700.db2.gz NNSDECDEPLOKDF-UWVGGRQHSA-N 1 1 329.378 0.974 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854353877 589581058 /nfs/dbraw/zinc/58/10/58/589581058.db2.gz ILERFSBXGVLXKK-GJZGRUSLSA-N 1 1 334.376 0.134 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206332 589729404 /nfs/dbraw/zinc/72/94/04/589729404.db2.gz CTCJJPNQWNXADQ-STQMWFEESA-N 1 1 348.407 0.752 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000863832830 590041805 /nfs/dbraw/zinc/04/18/05/590041805.db2.gz GKKJMFDXBSNJJD-NHYWBVRUSA-N 1 1 348.359 0.271 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C(C)(C)C ZINC000880612109 590412013 /nfs/dbraw/zinc/41/20/13/590412013.db2.gz CTIPHRBDZJWLTB-ZDUSSCGKSA-N 1 1 336.392 0.945 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000075712455 611383940 /nfs/dbraw/zinc/38/39/40/611383940.db2.gz VSMBVGKBPATLNZ-AAEUAGOBSA-N 1 1 326.353 0.237 20 5 ECBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000928553343 611700347 /nfs/dbraw/zinc/70/03/47/611700347.db2.gz DFGUNBKRZNKXAJ-GFCCVEGCSA-N 1 1 334.376 0.865 20 5 ECBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000928553343 611700349 /nfs/dbraw/zinc/70/03/49/611700349.db2.gz DFGUNBKRZNKXAJ-GFCCVEGCSA-N 1 1 334.376 0.865 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000913548528 609690455 /nfs/dbraw/zinc/69/04/55/609690455.db2.gz NSOUJFYXMJKPCK-GFCCVEGCSA-N 1 1 327.768 0.926 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1CO ZINC000913548528 609690456 /nfs/dbraw/zinc/69/04/56/609690456.db2.gz NSOUJFYXMJKPCK-GFCCVEGCSA-N 1 1 327.768 0.926 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000953928448 612456901 /nfs/dbraw/zinc/45/69/01/612456901.db2.gz COZLULDGYWBPQC-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[C@]12CN(Cc3ncccn3)C[C@@]1(C)CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C2 ZINC000982278705 751851575 /nfs/dbraw/zinc/85/15/75/751851575.db2.gz OXVYMFMTJUTBJK-KFZJALRRSA-N 1 1 345.403 0.812 20 5 ECBDMO O=C(C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCC1 ZINC001001394729 746337960 /nfs/dbraw/zinc/33/79/60/746337960.db2.gz GSNBUFCDNRCENT-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985285136 747638810 /nfs/dbraw/zinc/63/88/10/747638810.db2.gz JNEXLEULUXSKGD-UHFFFAOYSA-N 1 1 347.379 0.788 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985285136 747638815 /nfs/dbraw/zinc/63/88/15/747638815.db2.gz JNEXLEULUXSKGD-UHFFFAOYSA-N 1 1 347.379 0.788 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1 ZINC001002782116 747777473 /nfs/dbraw/zinc/77/74/73/747777473.db2.gz HWYXOKUVLRBIMF-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCCCCC1 ZINC001126939219 756806083 /nfs/dbraw/zinc/80/60/83/756806083.db2.gz SLTJNJORTZTYTK-CHWSQXEVSA-N 1 1 326.397 0.150 20 5 ECBDMO Cc1nc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429656 757659306 /nfs/dbraw/zinc/65/93/06/757659306.db2.gz RQZAKGBBYCXNHX-ZIAGYGMSSA-N 1 1 336.396 0.141 20 5 ECBDMO Cc1c(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000991289909 760136712 /nfs/dbraw/zinc/13/67/12/760136712.db2.gz HKUQQYFCPZIPQV-ZIAGYGMSSA-N 1 1 343.343 0.249 20 5 ECBDMO CC(C)[NH+]1CCC(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000991292264 760147422 /nfs/dbraw/zinc/14/74/22/760147422.db2.gz FCKXRTQFTGBBEO-ZIAGYGMSSA-N 1 1 338.408 0.099 20 5 ECBDMO C[NH+](C)Cc1ccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC000995801254 760627197 /nfs/dbraw/zinc/62/71/97/760627197.db2.gz ZDRSLHUMFSIGPC-HUUCEWRRSA-N 1 1 346.387 0.354 20 5 ECBDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)[nH]c1=O ZINC001031951732 763765050 /nfs/dbraw/zinc/76/50/50/763765050.db2.gz VWZNVTWXNDARCG-UHFFFAOYSA-N 1 1 345.359 0.896 20 5 ECBDMO Cc1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)ncn1 ZINC001072725132 788651846 /nfs/dbraw/zinc/65/18/46/788651846.db2.gz IHRIYGHLTIDBFE-ZIAGYGMSSA-N 1 1 331.376 0.485 20 5 ECBDMO CCC(C)(C)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001266591603 836022482 /nfs/dbraw/zinc/02/24/82/836022482.db2.gz QHTFSECPCXQSQU-DDHJBXDOSA-N 1 1 326.397 0.193 20 5 ECBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000268166938 282088979 /nfs/dbraw/zinc/08/89/79/282088979.db2.gz JIRZDSWAUWSQIM-SNVBAGLBSA-N 1 1 344.393 0.114 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@H]21 ZINC000375036152 283152628 /nfs/dbraw/zinc/15/26/28/283152628.db2.gz FTZDWPYQQIZRSJ-GXFFZTMASA-N 1 1 340.405 0.773 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264501308 283353019 /nfs/dbraw/zinc/35/30/19/283353019.db2.gz KHXNDPIUZVAEAH-SNVBAGLBSA-N 1 1 326.378 0.726 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000074391572 203287886 /nfs/dbraw/zinc/28/78/86/203287886.db2.gz CNFUNPFNUHCEMU-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075740303 203322842 /nfs/dbraw/zinc/32/28/42/203322842.db2.gz KPFXWZWRUIHKFX-CQSZACIVSA-N 1 1 333.348 0.140 20 5 ECBDMO NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075740303 203322844 /nfs/dbraw/zinc/32/28/44/203322844.db2.gz KPFXWZWRUIHKFX-CQSZACIVSA-N 1 1 333.348 0.140 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCN(C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246901421 205242972 /nfs/dbraw/zinc/24/29/72/205242972.db2.gz XUDLKEJOELUHRQ-QWRGUYRKSA-N 1 1 339.396 0.798 20 5 ECBDMO Cc1n[nH]c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000265100582 247200914 /nfs/dbraw/zinc/20/09/14/247200914.db2.gz HDKOBFJFYJGFJE-UHFFFAOYSA-N 1 1 338.412 0.630 20 5 ECBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803468 211097975 /nfs/dbraw/zinc/09/79/75/211097975.db2.gz PUBFQGZSNRGMRR-QWHCGFSZSA-N 1 1 346.409 0.051 20 5 ECBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803468 211097979 /nfs/dbraw/zinc/09/79/79/211097979.db2.gz PUBFQGZSNRGMRR-QWHCGFSZSA-N 1 1 346.409 0.051 20 5 ECBDMO Cc1cnn([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000174785876 207058435 /nfs/dbraw/zinc/05/84/35/207058435.db2.gz ZJNMPWZMHVLEGE-ZFWWWQNUSA-N 1 1 334.380 0.994 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411939125 208175932 /nfs/dbraw/zinc/17/59/32/208175932.db2.gz ITLATIKJLJQEPK-LBPRGKRZSA-N 1 1 334.376 0.968 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411953471 208177013 /nfs/dbraw/zinc/17/70/13/208177013.db2.gz UGYVYTPFHHQVTI-BZUAXINKSA-N 1 1 332.360 0.960 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411953474 208177639 /nfs/dbraw/zinc/17/76/39/208177639.db2.gz UGYVYTPFHHQVTI-OAGGEKHMSA-N 1 1 332.360 0.960 20 5 ECBDMO COC(=O)[C@@]1(C)CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073428 208197569 /nfs/dbraw/zinc/19/75/69/208197569.db2.gz QEUAKQCIIDBPIG-OCCSQVGLSA-N 1 1 326.353 0.427 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)CN1CCOCC1 ZINC000412103414 208205383 /nfs/dbraw/zinc/20/53/83/208205383.db2.gz ZYEUGUDAKAUJRV-UHFFFAOYSA-N 1 1 338.408 0.799 20 5 ECBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248957562 165192198 /nfs/dbraw/zinc/19/21/98/165192198.db2.gz ATYVCLHCGGGASB-RAIGVLPGSA-N 1 1 326.353 0.283 20 5 ECBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261951570 165267125 /nfs/dbraw/zinc/26/71/25/165267125.db2.gz LQMQTUPKQPCZSH-ZDUSSCGKSA-N 1 1 345.359 0.973 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000272953634 263381481 /nfs/dbraw/zinc/38/14/81/263381481.db2.gz QOXVKCWOSKNWSE-NSHDSACASA-N 1 1 336.348 0.752 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283252641 264099097 /nfs/dbraw/zinc/09/90/97/264099097.db2.gz VMKYPBDZFPZQAI-NSHDSACASA-N 1 1 346.384 0.739 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283252641 264099098 /nfs/dbraw/zinc/09/90/98/264099098.db2.gz VMKYPBDZFPZQAI-NSHDSACASA-N 1 1 346.384 0.739 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)O1 ZINC000285436590 264312634 /nfs/dbraw/zinc/31/26/34/264312634.db2.gz LWFFVEIFLAGSNE-NXEZZACHSA-N 1 1 325.369 0.936 20 5 ECBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286240016 264382560 /nfs/dbraw/zinc/38/25/60/264382560.db2.gz ZNCITSBGPABWKV-IUODEOHRSA-N 1 1 348.403 0.989 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@H+](C)CCN(C)C ZINC000288786281 264541851 /nfs/dbraw/zinc/54/18/51/264541851.db2.gz WZXMYFBCIDGPQB-UHFFFAOYSA-N 1 1 340.428 0.490 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCN(C)CC[NH+](C)C ZINC000288786281 264541852 /nfs/dbraw/zinc/54/18/52/264541852.db2.gz WZXMYFBCIDGPQB-UHFFFAOYSA-N 1 1 340.428 0.490 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C2)C1 ZINC000292410494 264794429 /nfs/dbraw/zinc/79/44/29/264794429.db2.gz VRZABQNZOREVIG-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298427697 265253658 /nfs/dbraw/zinc/25/36/58/265253658.db2.gz MTACWOJDYIHGRO-UHFFFAOYSA-N 1 1 334.336 0.753 20 5 ECBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[NH+](CCCO)CC3)cc2N1 ZINC000171069343 275018509 /nfs/dbraw/zinc/01/85/09/275018509.db2.gz PCYYMCWUSYPIIB-UHFFFAOYSA-N 1 1 334.376 0.984 20 5 ECBDMO C[C@H]1CN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000262764741 278438697 /nfs/dbraw/zinc/43/86/97/278438697.db2.gz SWCXDGGVQGQZKP-VIFPVBQESA-N 1 1 343.361 0.348 20 5 ECBDMO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000428557843 279620052 /nfs/dbraw/zinc/62/00/52/279620052.db2.gz FCUFKHAQLXOAFR-UHFFFAOYSA-N 1 1 334.373 0.656 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418510696 279622062 /nfs/dbraw/zinc/62/20/62/279622062.db2.gz IIQNWWDUMPAXJO-UHFFFAOYSA-N 1 1 344.322 0.415 20 5 ECBDMO Cc1cc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc([N+](=O)[O-])c1 ZINC000186630588 280326049 /nfs/dbraw/zinc/32/60/49/280326049.db2.gz RFEQZESNSPHVQY-CQSZACIVSA-N 1 1 346.387 0.940 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000192911416 281362468 /nfs/dbraw/zinc/36/24/68/281362468.db2.gz OEBFEMWBHZAIIG-SNVBAGLBSA-N 1 1 339.396 0.798 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000192911416 281362472 /nfs/dbraw/zinc/36/24/72/281362472.db2.gz OEBFEMWBHZAIIG-SNVBAGLBSA-N 1 1 339.396 0.798 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000192911416 281362475 /nfs/dbraw/zinc/36/24/75/281362475.db2.gz OEBFEMWBHZAIIG-SNVBAGLBSA-N 1 1 339.396 0.798 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000192911416 281362478 /nfs/dbraw/zinc/36/24/78/281362478.db2.gz OEBFEMWBHZAIIG-SNVBAGLBSA-N 1 1 339.396 0.798 20 5 ECBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCNC1=O ZINC000340225024 437613136 /nfs/dbraw/zinc/61/31/36/437613136.db2.gz HMCKSQSOBGKNDX-LLVKDONJSA-N 1 1 334.332 0.713 20 5 ECBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332465586 297042041 /nfs/dbraw/zinc/04/20/41/297042041.db2.gz RTPFVVYGLZPMEO-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000332465586 297042042 /nfs/dbraw/zinc/04/20/42/297042042.db2.gz RTPFVVYGLZPMEO-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000344881679 298080850 /nfs/dbraw/zinc/08/08/50/298080850.db2.gz BOUGJCRBGASZKV-GFCCVEGCSA-N 1 1 335.364 0.247 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000346649084 298311897 /nfs/dbraw/zinc/31/18/97/298311897.db2.gz GJNHWNYCIDXKBF-JFILPPLUSA-N 1 1 349.387 0.920 20 5 ECBDMO CCc1nn(C)c(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000360960253 300046137 /nfs/dbraw/zinc/04/61/37/300046137.db2.gz JUIJPRYYNSRTHU-LLVKDONJSA-N 1 1 338.412 0.890 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365988675 300503566 /nfs/dbraw/zinc/50/35/66/300503566.db2.gz WOEIKANOJNCPPC-LLVKDONJSA-N 1 1 325.394 0.441 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])c2)C1 ZINC000026981652 436171099 /nfs/dbraw/zinc/17/10/99/436171099.db2.gz PSJIENPFZPAANR-LBPRGKRZSA-N 1 1 325.369 0.264 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000376494229 301267649 /nfs/dbraw/zinc/26/76/49/301267649.db2.gz DGCMDCSLKAQTIF-LSDHHAIUSA-N 1 1 334.376 0.969 20 5 ECBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517668 436433683 /nfs/dbraw/zinc/43/36/83/436433683.db2.gz YOFFWLBPRAALSV-CQSZACIVSA-N 1 1 348.403 0.995 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051131776 436484422 /nfs/dbraw/zinc/48/44/22/436484422.db2.gz OIVPHXJLTXKOQP-ZDUSSCGKSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000051131776 436484423 /nfs/dbraw/zinc/48/44/23/436484423.db2.gz OIVPHXJLTXKOQP-ZDUSSCGKSA-N 1 1 336.348 0.418 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000108277620 436615970 /nfs/dbraw/zinc/61/59/70/436615970.db2.gz FISHRTBLCFGWPH-NSHDSACASA-N 1 1 325.369 0.477 20 5 ECBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000539803692 302173106 /nfs/dbraw/zinc/17/31/06/302173106.db2.gz XHOMNCJRCAVCMG-WDEREUQCSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000539803692 302173107 /nfs/dbraw/zinc/17/31/07/302173107.db2.gz XHOMNCJRCAVCMG-WDEREUQCSA-N 1 1 326.378 0.705 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116892015 436653613 /nfs/dbraw/zinc/65/36/13/436653613.db2.gz BEXGINLPXCGWEV-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116892015 436653616 /nfs/dbraw/zinc/65/36/16/436653616.db2.gz BEXGINLPXCGWEV-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO C[C@@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000137533030 436659217 /nfs/dbraw/zinc/65/92/17/436659217.db2.gz FNKRCMODMPUADH-TZMCWYRMSA-N 1 1 344.375 0.966 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000271443327 436689297 /nfs/dbraw/zinc/68/92/97/436689297.db2.gz UIEBAXHTMAJYEY-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000271443327 436689300 /nfs/dbraw/zinc/68/93/00/436689300.db2.gz UIEBAXHTMAJYEY-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CN(C)c1nc(N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000554849988 302427762 /nfs/dbraw/zinc/42/77/62/302427762.db2.gz FURRIWDWWSZPPX-UHFFFAOYSA-N 1 1 346.351 0.136 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2ccc(C(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000195164262 436681145 /nfs/dbraw/zinc/68/11/45/436681145.db2.gz ZLTJRXLOYIJIJI-UHFFFAOYSA-N 1 1 349.391 0.530 20 5 ECBDMO O=C(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCNCC1 ZINC000568748565 302496543 /nfs/dbraw/zinc/49/65/43/302496543.db2.gz FXFCYEJRZCUNSU-HNNXBMFYSA-N 1 1 332.404 0.937 20 5 ECBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274332004 436816388 /nfs/dbraw/zinc/81/63/88/436816388.db2.gz RGDWBTYVPUEQHX-QEJZJMRPSA-N 1 1 340.376 0.806 20 5 ECBDMO C[C@H](O)C[C@H]1COCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000274332004 436816391 /nfs/dbraw/zinc/81/63/91/436816391.db2.gz RGDWBTYVPUEQHX-QEJZJMRPSA-N 1 1 340.376 0.806 20 5 ECBDMO CC[N@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000249446566 436821767 /nfs/dbraw/zinc/82/17/67/436821767.db2.gz LIPLCMUOYOWLTP-VHSXEESVSA-N 1 1 326.275 0.397 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155797391 436804132 /nfs/dbraw/zinc/80/41/32/436804132.db2.gz XCJWNLKLGBFZMX-CYBMUJFWSA-N 1 1 329.378 0.597 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155797391 436804135 /nfs/dbraw/zinc/80/41/35/436804135.db2.gz XCJWNLKLGBFZMX-CYBMUJFWSA-N 1 1 329.378 0.597 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000251708818 436828875 /nfs/dbraw/zinc/82/88/75/436828875.db2.gz KAOFJZVQGRBXCC-NEPJUHHUSA-N 1 1 339.396 0.403 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261715291 436884776 /nfs/dbraw/zinc/88/47/76/436884776.db2.gz LAWNVBVUTBPKNA-AWEZNQCLSA-N 1 1 344.375 0.913 20 5 ECBDMO C[NH2+][C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])c1cnn(C)c1 ZINC000262037479 436901792 /nfs/dbraw/zinc/90/17/92/436901792.db2.gz FWNAFZDLQOBZOM-AWEZNQCLSA-N 1 1 332.364 0.817 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000275196302 436938465 /nfs/dbraw/zinc/93/84/65/436938465.db2.gz GQWBCUHKDXGJLF-MNOVXSKESA-N 1 1 325.369 0.013 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1(C)C ZINC000281772604 436997180 /nfs/dbraw/zinc/99/71/80/436997180.db2.gz MHZAZEITLXYXBD-UHFFFAOYSA-N 1 1 335.408 0.933 20 5 ECBDMO CNC(=O)c1ccc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000264604779 437052140 /nfs/dbraw/zinc/05/21/40/437052140.db2.gz OGMUBMQHYDRHQH-ZDUSSCGKSA-N 1 1 349.391 0.706 20 5 ECBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cc([N+](=O)[O-])c1 ZINC000264482568 437037012 /nfs/dbraw/zinc/03/70/12/437037012.db2.gz IAYIHRNAPHVYRU-AWEZNQCLSA-N 1 1 334.376 0.973 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264501483 437037488 /nfs/dbraw/zinc/03/74/88/437037488.db2.gz KKWVTVLNOUEMSK-VIFPVBQESA-N 1 1 326.378 0.726 20 5 ECBDMO Cc1n[nH]c(C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264862593 437096681 /nfs/dbraw/zinc/09/66/81/437096681.db2.gz FIBZDWUPGYLIDN-GFCCVEGCSA-N 1 1 338.412 0.628 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000302369470 437143146 /nfs/dbraw/zinc/14/31/46/437143146.db2.gz FACOHWYYQGYDMB-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000265520073 437145160 /nfs/dbraw/zinc/14/51/60/437145160.db2.gz IXJJKAPOTUDIKU-SNVBAGLBSA-N 1 1 336.348 0.610 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000304387301 437159757 /nfs/dbraw/zinc/15/97/57/437159757.db2.gz ZZQURKAJAJFFMI-GFCCVEGCSA-N 1 1 338.393 0.431 20 5 ECBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176212629 437134954 /nfs/dbraw/zinc/13/49/54/437134954.db2.gz GFWDUAUDLTZHFN-GFCCVEGCSA-N 1 1 345.425 0.585 20 5 ECBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)C2)CC1 ZINC000301959348 437136091 /nfs/dbraw/zinc/13/60/91/437136091.db2.gz GXHMLZGKZRDUKL-CYBMUJFWSA-N 1 1 345.407 0.854 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000331884036 437174294 /nfs/dbraw/zinc/17/42/94/437174294.db2.gz FKWLNIYHOSYNGB-LSDHHAIUSA-N 1 1 334.376 0.938 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000332085633 437205459 /nfs/dbraw/zinc/20/54/59/437205459.db2.gz FVPAKGLPXBPRRM-GFCCVEGCSA-N 1 1 335.364 0.302 20 5 ECBDMO O=C1C[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751755 437340612 /nfs/dbraw/zinc/34/06/12/437340612.db2.gz AYFIZSWOMBSYHP-BLLLJJGKSA-N 1 1 335.360 0.547 20 5 ECBDMO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000337257803 437344684 /nfs/dbraw/zinc/34/46/84/437344684.db2.gz UPCHORZPCQTSKI-SGMGOOAPSA-N 1 1 335.360 0.545 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)N1 ZINC000278999521 437362624 /nfs/dbraw/zinc/36/26/24/437362624.db2.gz CMKCNOOMYNSRNZ-HNNXBMFYSA-N 1 1 345.315 0.910 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)N1 ZINC000278999521 437362625 /nfs/dbraw/zinc/36/26/25/437362625.db2.gz CMKCNOOMYNSRNZ-HNNXBMFYSA-N 1 1 345.315 0.910 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000279506623 437418460 /nfs/dbraw/zinc/41/84/60/437418460.db2.gz OHQMRCQFNXPIIM-SNVBAGLBSA-N 1 1 342.739 0.298 20 5 ECBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186636035 437478606 /nfs/dbraw/zinc/47/86/06/437478606.db2.gz AVPWIGKZICYVRV-CQSZACIVSA-N 1 1 346.387 0.560 20 5 ECBDMO Nc1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000186701626 437482664 /nfs/dbraw/zinc/48/26/64/437482664.db2.gz YECSKVOTLZXZNZ-LBPRGKRZSA-N 1 1 347.375 0.213 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000189301602 437591514 /nfs/dbraw/zinc/59/15/14/437591514.db2.gz UCSUKRLLEUMIIK-ZDUSSCGKSA-N 1 1 348.403 0.482 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000355317901 437695839 /nfs/dbraw/zinc/69/58/39/437695839.db2.gz LZBKAFNOHMXJMI-KBPBESRZSA-N 1 1 337.380 0.503 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000331123974 437694029 /nfs/dbraw/zinc/69/40/29/437694029.db2.gz ARSOFVBMGSEEEY-NSHDSACASA-N 1 1 325.369 0.051 20 5 ECBDMO O=[N+]([O-])c1cccc(OCC[N@H+](CCO)CCN2CCOCC2)c1 ZINC000361951124 437705966 /nfs/dbraw/zinc/70/59/66/437705966.db2.gz HFRYFEXGAMGIDY-UHFFFAOYSA-N 1 1 339.392 0.600 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000343986613 437715102 /nfs/dbraw/zinc/71/51/02/437715102.db2.gz QPXQZSRPFVRCDC-VHSXEESVSA-N 1 1 331.398 0.572 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000343986613 437715107 /nfs/dbraw/zinc/71/51/07/437715107.db2.gz QPXQZSRPFVRCDC-VHSXEESVSA-N 1 1 331.398 0.572 20 5 ECBDMO NC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[NH2+]1 ZINC000341289327 437825687 /nfs/dbraw/zinc/82/56/87/437825687.db2.gz QBUBNMJDKGIQLV-GFCCVEGCSA-N 1 1 327.344 0.920 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364922633 437825697 /nfs/dbraw/zinc/82/56/97/437825697.db2.gz OEYOGDPGTDRVHD-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000364925593 437826359 /nfs/dbraw/zinc/82/63/59/437826359.db2.gz ZYNUFLASFAJZGI-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000363634755 437801316 /nfs/dbraw/zinc/80/13/16/437801316.db2.gz OVLQSUZYSZRQSJ-UHFFFAOYSA-N 1 1 339.396 0.671 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000347204568 437852907 /nfs/dbraw/zinc/85/29/07/437852907.db2.gz PLTLLPXOEKCBIK-ZDUSSCGKSA-N 1 1 349.391 0.462 20 5 ECBDMO CN(C)CC[N@@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000371334096 437919891 /nfs/dbraw/zinc/91/98/91/437919891.db2.gz DJNBVHCXCQUFLT-UHFFFAOYSA-N 1 1 333.396 0.711 20 5 ECBDMO CN(C)CC[N@H+]1CCCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000371334096 437919893 /nfs/dbraw/zinc/91/98/93/437919893.db2.gz DJNBVHCXCQUFLT-UHFFFAOYSA-N 1 1 333.396 0.711 20 5 ECBDMO CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000371084437 437884338 /nfs/dbraw/zinc/88/43/38/437884338.db2.gz GZOZQXGGFNWQNE-JKSUJKDBSA-N 1 1 338.452 0.964 20 5 ECBDMO COC(=O)c1cnc(N2CCC[N@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000365341776 437896587 /nfs/dbraw/zinc/89/65/87/437896587.db2.gz FGDPETWEZCLFTP-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO C[C@](O)(CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+]1CCOCC1 ZINC000357339239 437969215 /nfs/dbraw/zinc/96/92/15/437969215.db2.gz RVFJTDLBFIAWRY-INIZCTEOSA-N 1 1 347.375 1.033 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307625 438050622 /nfs/dbraw/zinc/05/06/22/438050622.db2.gz DUZQQACRQMEPSY-MNOVXSKESA-N 1 1 346.343 0.518 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)n1 ZINC000427830174 438084397 /nfs/dbraw/zinc/08/43/97/438084397.db2.gz ZJJCBLLGXFHMOS-UHFFFAOYSA-N 1 1 338.412 0.521 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000342952092 438091982 /nfs/dbraw/zinc/09/19/82/438091982.db2.gz VPHSAWCLADEFHU-GFCCVEGCSA-N 1 1 339.396 0.603 20 5 ECBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000358021947 438125179 /nfs/dbraw/zinc/12/51/79/438125179.db2.gz GNPLTITUZFXRCC-GFCCVEGCSA-N 1 1 325.369 0.408 20 5 ECBDMO COc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000358051772 438131036 /nfs/dbraw/zinc/13/10/36/438131036.db2.gz DBPJPPSTPFIMOR-OAHLLOKOSA-N 1 1 339.348 0.408 20 5 ECBDMO C[C@H]1C[N@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049882 438132735 /nfs/dbraw/zinc/13/27/35/438132735.db2.gz SFTSZKCMVYQGMQ-NWDGAFQWSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049882 438132739 /nfs/dbraw/zinc/13/27/39/438132739.db2.gz SFTSZKCMVYQGMQ-NWDGAFQWSA-N 1 1 342.421 0.413 20 5 ECBDMO CN1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000373243034 438138429 /nfs/dbraw/zinc/13/84/29/438138429.db2.gz NDCJZDCSSTWVLL-GFCCVEGCSA-N 1 1 347.375 0.975 20 5 ECBDMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000373243034 438138436 /nfs/dbraw/zinc/13/84/36/438138436.db2.gz NDCJZDCSSTWVLL-GFCCVEGCSA-N 1 1 347.375 0.975 20 5 ECBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)C[C@@H](C)O1 ZINC000432241635 438187671 /nfs/dbraw/zinc/18/76/71/438187671.db2.gz QSMJMUCUBKVIKE-YRGRVCCFSA-N 1 1 340.376 0.936 20 5 ECBDMO C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418788051 438190157 /nfs/dbraw/zinc/19/01/57/438190157.db2.gz VARATIXBXGEKQW-MRVPVSSYSA-N 1 1 330.291 0.482 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@@H]21 ZINC000375036153 438241819 /nfs/dbraw/zinc/24/18/19/438241819.db2.gz FTZDWPYQQIZRSJ-MFKMUULPSA-N 1 1 340.405 0.773 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368053995 438282299 /nfs/dbraw/zinc/28/22/99/438282299.db2.gz JHVODNSXTHBOSY-JTNHKYCSSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368053995 438282301 /nfs/dbraw/zinc/28/23/01/438282301.db2.gz JHVODNSXTHBOSY-JTNHKYCSSA-N 1 1 332.360 0.990 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713988 438325490 /nfs/dbraw/zinc/32/54/90/438325490.db2.gz XYYCLJIOAJROIV-WFASDCNBSA-N 1 1 335.408 0.931 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314694 438376774 /nfs/dbraw/zinc/37/67/74/438376774.db2.gz LDJZKJYBCUGFER-IJLUTSLNSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314694 438376779 /nfs/dbraw/zinc/37/67/79/438376779.db2.gz LDJZKJYBCUGFER-IJLUTSLNSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314694 438376787 /nfs/dbraw/zinc/37/67/87/438376787.db2.gz LDJZKJYBCUGFER-IJLUTSLNSA-N 1 1 337.380 0.937 20 5 ECBDMO COC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421026508 438462216 /nfs/dbraw/zinc/46/22/16/438462216.db2.gz RYHXOCXACHDLAK-NSHDSACASA-N 1 1 331.394 0.840 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CCO1 ZINC000408053031 438499962 /nfs/dbraw/zinc/49/99/62/438499962.db2.gz NIEMDACBPUKHII-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO CC[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000439159511 438501988 /nfs/dbraw/zinc/50/19/88/438501988.db2.gz JJRRNYYLFWALTD-RYUDHWBXSA-N 1 1 336.392 0.975 20 5 ECBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781333 438514787 /nfs/dbraw/zinc/51/47/87/438514787.db2.gz DCEFLSSYGFYLIU-UKRRQHHQSA-N 1 1 349.395 0.525 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000353661243 438520763 /nfs/dbraw/zinc/52/07/63/438520763.db2.gz ORZZDCSWQCGSIS-GOEBONIOSA-N 1 1 332.360 0.744 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451631087 438701948 /nfs/dbraw/zinc/70/19/48/438701948.db2.gz GXUZUCPPHAVWLQ-KPXOXKRLSA-N 1 1 332.316 0.126 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451631087 438701950 /nfs/dbraw/zinc/70/19/50/438701950.db2.gz GXUZUCPPHAVWLQ-KPXOXKRLSA-N 1 1 332.316 0.126 20 5 ECBDMO CO[C@@H]1C[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000451765260 438713543 /nfs/dbraw/zinc/71/35/43/438713543.db2.gz UJPJZFWDAQRIML-TZMCWYRMSA-N 1 1 337.332 0.584 20 5 ECBDMO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000548713089 438732265 /nfs/dbraw/zinc/73/22/65/438732265.db2.gz WIGLLIHVKYQYPF-LLVKDONJSA-N 1 1 336.396 0.185 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000575192498 438741747 /nfs/dbraw/zinc/74/17/47/438741747.db2.gz DHYLPVNGBPXMJA-ZDUSSCGKSA-N 1 1 346.387 0.879 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451753884 438712820 /nfs/dbraw/zinc/71/28/20/438712820.db2.gz CETLKERMRWECGA-TZMCWYRMSA-N 1 1 339.348 0.624 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601164991 438826147 /nfs/dbraw/zinc/82/61/47/438826147.db2.gz ZGKCCLQJVUGDPW-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])cn(C[C@H](O)C[N@@H+](C)C(C)C)c1=O ZINC000514734300 438829488 /nfs/dbraw/zinc/82/94/88/438829488.db2.gz AKGIATDHXAJLJZ-LLVKDONJSA-N 1 1 327.337 0.244 20 5 ECBDMO Nc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000588860199 438842984 /nfs/dbraw/zinc/84/29/84/438842984.db2.gz GBQGBFWFXUBFBT-WDEREUQCSA-N 1 1 338.339 0.597 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860515 438844812 /nfs/dbraw/zinc/84/48/12/438844812.db2.gz GQLATMNAEPZCRC-ZIAGYGMSSA-N 1 1 335.360 0.641 20 5 ECBDMO C[NH+]1CCN(CC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000589530233 438875465 /nfs/dbraw/zinc/87/54/65/438875465.db2.gz JROQBVCDNXHVEW-UHFFFAOYSA-N 1 1 345.403 0.982 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@](C)(C(F)F)O1 ZINC000595918987 438885681 /nfs/dbraw/zinc/88/56/81/438885681.db2.gz PLZWFYQQQMMYPL-XWIASGKRSA-N 1 1 334.323 0.897 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@](C)(C(F)F)O1 ZINC000595918987 438885686 /nfs/dbraw/zinc/88/56/86/438885686.db2.gz PLZWFYQQQMMYPL-XWIASGKRSA-N 1 1 334.323 0.897 20 5 ECBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400493 438918004 /nfs/dbraw/zinc/91/80/04/438918004.db2.gz VBWHXFMEKWKCMO-WCQYABFASA-N 1 1 336.348 0.631 20 5 ECBDMO CN(CC(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551476 438931030 /nfs/dbraw/zinc/93/10/30/438931030.db2.gz YIHTVXOYNDWSAZ-ZIAGYGMSSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596232370 438945414 /nfs/dbraw/zinc/94/54/14/438945414.db2.gz QLUJNCGEIAISLG-AAEUAGOBSA-N 1 1 334.376 0.993 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C2)C1 ZINC000566722312 439082781 /nfs/dbraw/zinc/08/27/81/439082781.db2.gz RXCUQMSHSZLYGB-CYBMUJFWSA-N 1 1 326.378 0.706 20 5 ECBDMO CCN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000591765962 439082813 /nfs/dbraw/zinc/08/28/13/439082813.db2.gz WALPZOAADHWGAH-ZDUSSCGKSA-N 1 1 341.389 0.579 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131478 439164228 /nfs/dbraw/zinc/16/42/28/439164228.db2.gz ZGUHWBFBQCPQEF-CMPLNLGQSA-N 1 1 331.323 0.177 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131478 439164234 /nfs/dbraw/zinc/16/42/34/439164234.db2.gz ZGUHWBFBQCPQEF-CMPLNLGQSA-N 1 1 331.323 0.177 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131521 439164793 /nfs/dbraw/zinc/16/47/93/439164793.db2.gz ZGUHWBFBQCPQEF-JQWIXIFHSA-N 1 1 331.323 0.177 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592131521 439164796 /nfs/dbraw/zinc/16/47/96/439164796.db2.gz ZGUHWBFBQCPQEF-JQWIXIFHSA-N 1 1 331.323 0.177 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000598901629 439323334 /nfs/dbraw/zinc/32/33/34/439323334.db2.gz AWILILAIWNMGCT-SMDDNHRTSA-N 1 1 347.375 0.879 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593000142 439329830 /nfs/dbraw/zinc/32/98/30/439329830.db2.gz WAFUDYMDOQGKHN-KGLIPLIRSA-N 1 1 337.376 0.085 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599107315 439359943 /nfs/dbraw/zinc/35/99/43/439359943.db2.gz MJNWMIPLUDHUDX-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000599015161 439343736 /nfs/dbraw/zinc/34/37/36/439343736.db2.gz GDEANUCSMHOTKM-UHFFFAOYSA-N 1 1 328.394 0.483 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCOC)CC2(C)C)n1 ZINC000593340073 439368872 /nfs/dbraw/zinc/36/88/72/439368872.db2.gz SMLZGJAJPNGKFA-UHFFFAOYSA-N 1 1 339.396 0.994 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCOC)CC2(C)C)n1 ZINC000593340073 439368879 /nfs/dbraw/zinc/36/88/79/439368879.db2.gz SMLZGJAJPNGKFA-UHFFFAOYSA-N 1 1 339.396 0.994 20 5 ECBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000599245854 439398289 /nfs/dbraw/zinc/39/82/89/439398289.db2.gz YHIXJNKRAGBPRI-WDEREUQCSA-N 1 1 345.425 0.822 20 5 ECBDMO O=[N+]([O-])c1cc2c(cc1CN1CC([N@H+]3CC[C@@H](O)C3)C1)OCCO2 ZINC000593680376 439445468 /nfs/dbraw/zinc/44/54/68/439445468.db2.gz SLZXOAODJBYFIZ-CYBMUJFWSA-N 1 1 335.360 0.617 20 5 ECBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC(=O)N1CCNCC1 ZINC000571431232 439502055 /nfs/dbraw/zinc/50/20/55/439502055.db2.gz KCWUICWPEWQXTK-GFCCVEGCSA-N 1 1 349.391 0.333 20 5 ECBDMO C[C@]1(CO)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@]1(C)CO ZINC000599624809 439520799 /nfs/dbraw/zinc/52/07/99/439520799.db2.gz WUHNNNBJDHALKV-GASCZTMLSA-N 1 1 325.365 0.069 20 5 ECBDMO C[C@]1(CO)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624067 439521776 /nfs/dbraw/zinc/52/17/76/439521776.db2.gz OVJROAHCBVFBGD-IYBDPMFKSA-N 1 1 337.376 0.507 20 5 ECBDMO C[C@]1(CO)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000599624067 439521778 /nfs/dbraw/zinc/52/17/78/439521778.db2.gz OVJROAHCBVFBGD-IYBDPMFKSA-N 1 1 337.376 0.507 20 5 ECBDMO NC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599662835 439531428 /nfs/dbraw/zinc/53/14/28/439531428.db2.gz AXVAFGGWPJMOKL-LLVKDONJSA-N 1 1 336.348 0.500 20 5 ECBDMO NC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599662835 439531434 /nfs/dbraw/zinc/53/14/34/439531434.db2.gz AXVAFGGWPJMOKL-LLVKDONJSA-N 1 1 336.348 0.500 20 5 ECBDMO CCOc1ccc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000594393436 439553820 /nfs/dbraw/zinc/55/38/20/439553820.db2.gz MUVOSUXXQCCHPN-QWHCGFSZSA-N 1 1 335.360 0.885 20 5 ECBDMO CC(C)(C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938935 439581513 /nfs/dbraw/zinc/58/15/13/439581513.db2.gz STKZNWIKTBAVHA-YPMHNXCESA-N 1 1 337.380 0.194 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594732823 439597243 /nfs/dbraw/zinc/59/72/43/439597243.db2.gz OJYKIVKSMHSUNC-LBPRGKRZSA-N 1 1 335.364 0.792 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCOCC2)C1 ZINC000600068886 439607169 /nfs/dbraw/zinc/60/71/69/439607169.db2.gz LXPBJLOUURDNOP-UHFFFAOYSA-N 1 1 335.360 0.953 20 5 ECBDMO Cc1c(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600070696 439608408 /nfs/dbraw/zinc/60/84/08/439608408.db2.gz PEYFKTRFYPXIIQ-LLVKDONJSA-N 1 1 336.348 0.025 20 5 ECBDMO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000600129632 439616080 /nfs/dbraw/zinc/61/60/80/439616080.db2.gz JDGYKGFEGRFKEE-UHFFFAOYSA-N 1 1 340.361 0.959 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000611512841 439703536 /nfs/dbraw/zinc/70/35/36/439703536.db2.gz NMUOLKLPDYUVCK-ZANVPECISA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000611512841 439703539 /nfs/dbraw/zinc/70/35/39/439703539.db2.gz NMUOLKLPDYUVCK-ZANVPECISA-N 1 1 337.332 0.772 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000611335004 439691758 /nfs/dbraw/zinc/69/17/58/439691758.db2.gz XPOFVDXUKMVRSO-LBPRGKRZSA-N 1 1 336.396 0.180 20 5 ECBDMO CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614895385 439789730 /nfs/dbraw/zinc/78/97/30/439789730.db2.gz RDUPFLQVNFQOOV-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000614895385 439789731 /nfs/dbraw/zinc/78/97/31/439789731.db2.gz RDUPFLQVNFQOOV-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO CNS(=O)(=O)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000615179418 439795751 /nfs/dbraw/zinc/79/57/51/439795751.db2.gz FBRHJXHHMPWTAL-UHFFFAOYSA-N 1 1 331.350 0.005 20 5 ECBDMO C[N@H+]1CC[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H]1c1ccccc1 ZINC000340378294 321037575 /nfs/dbraw/zinc/03/75/75/321037575.db2.gz QBGXONAKQIUAOM-GXTWGEPZSA-N 1 1 330.348 0.748 20 5 ECBDMO CC(=O)NC1CCC([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000344133930 321141803 /nfs/dbraw/zinc/14/18/03/321141803.db2.gz ZCMVDXQORKMADN-SSDMNJCBSA-N 1 1 339.396 0.531 20 5 ECBDMO COc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c([N+](=O)[O-])cc1O ZINC000344547034 321155219 /nfs/dbraw/zinc/15/52/19/321155219.db2.gz ZGBYMGWIDYLUCY-SNVBAGLBSA-N 1 1 330.362 0.976 20 5 ECBDMO CCc1n[nH]c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000347119387 321231791 /nfs/dbraw/zinc/23/17/91/321231791.db2.gz WVYKTOXHKTUOCF-JTQLQIEISA-N 1 1 325.369 0.721 20 5 ECBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC[C@H]1CCCO1 ZINC000373234196 321802410 /nfs/dbraw/zinc/80/24/10/321802410.db2.gz VETPONVGCFZYAE-CYBMUJFWSA-N 1 1 337.380 0.723 20 5 ECBDMO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000559856491 322226478 /nfs/dbraw/zinc/22/64/78/322226478.db2.gz XGTSHIAXVIAHLM-UHFFFAOYSA-N 1 1 325.369 0.261 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000580423286 322924994 /nfs/dbraw/zinc/92/49/94/322924994.db2.gz MRURBJAPEBEJOI-JTQLQIEISA-N 1 1 346.269 0.751 20 5 ECBDMO O=C(CC[N@@H+]1C[C@@H](O)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000189586980 534417603 /nfs/dbraw/zinc/41/76/03/534417603.db2.gz SHNIBQFDEYSXQO-QWRGUYRKSA-N 1 1 327.312 0.490 20 5 ECBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187333302 527925263 /nfs/dbraw/zinc/92/52/63/527925263.db2.gz NAOWBGZNFVCCSX-JSGCOSHPSA-N 1 1 325.369 0.143 20 5 ECBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000187333302 527925270 /nfs/dbraw/zinc/92/52/70/527925270.db2.gz NAOWBGZNFVCCSX-JSGCOSHPSA-N 1 1 325.369 0.143 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000183956856 528531394 /nfs/dbraw/zinc/53/13/94/528531394.db2.gz ZATUFOXCNPHRIV-UHFFFAOYSA-N 1 1 327.385 0.229 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000184337806 528552499 /nfs/dbraw/zinc/55/24/99/528552499.db2.gz QDSFVONMKBRROV-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO C[N@H+](CCN1CCCS1(=O)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750071799 579347124 /nfs/dbraw/zinc/34/71/24/579347124.db2.gz MYXFIMNKSOZKOJ-CQSZACIVSA-N 1 1 343.405 0.596 20 5 ECBDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750071799 579347125 /nfs/dbraw/zinc/34/71/25/579347125.db2.gz MYXFIMNKSOZKOJ-CQSZACIVSA-N 1 1 343.405 0.596 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754030291 579411295 /nfs/dbraw/zinc/41/12/95/579411295.db2.gz NYEWDUDOEHBWTA-UHFFFAOYSA-N 1 1 330.348 0.724 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000725789018 578133770 /nfs/dbraw/zinc/13/37/70/578133770.db2.gz VSIPLYZOLBPYPA-UHFFFAOYSA-N 1 1 347.375 0.665 20 5 ECBDMO CC(C)(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531583 578142994 /nfs/dbraw/zinc/14/29/94/578142994.db2.gz LXCUHJQPSKKFCD-YPMHNXCESA-N 1 1 337.380 0.506 20 5 ECBDMO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590139 579285239 /nfs/dbraw/zinc/28/52/39/579285239.db2.gz YQMICXHSGFYMSA-AWEZNQCLSA-N 1 1 343.405 0.596 20 5 ECBDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590139 579285241 /nfs/dbraw/zinc/28/52/41/579285241.db2.gz YQMICXHSGFYMSA-AWEZNQCLSA-N 1 1 343.405 0.596 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCN(C)CCN(C)CC2)c1[N+](=O)[O-] ZINC000888989442 586254900 /nfs/dbraw/zinc/25/49/00/586254900.db2.gz LQRBLPWUBAGQFR-UHFFFAOYSA-N 1 1 338.412 0.761 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894134090 586376266 /nfs/dbraw/zinc/37/62/66/586376266.db2.gz JMUBPDZYZIOATE-GFCCVEGCSA-N 1 1 346.387 0.950 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-] ZINC000894134090 586376267 /nfs/dbraw/zinc/37/62/67/586376267.db2.gz JMUBPDZYZIOATE-GFCCVEGCSA-N 1 1 346.387 0.950 20 5 ECBDMO CN(C)c1cc(F)c(C(=O)NCC[N@@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899737492 586504237 /nfs/dbraw/zinc/50/42/37/586504237.db2.gz JDXHHZKNMGEZEW-UHFFFAOYSA-N 1 1 328.344 0.454 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899943276 586514630 /nfs/dbraw/zinc/51/46/30/586514630.db2.gz ZTMGSAODNGTGQQ-DOTOQJQBSA-N 1 1 348.403 0.699 20 5 ECBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000823506634 587725386 /nfs/dbraw/zinc/72/53/86/587725386.db2.gz RDADXVHMUWALBN-OWCLPIDISA-N 1 1 331.372 0.976 20 5 ECBDMO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000823506634 587725387 /nfs/dbraw/zinc/72/53/87/587725387.db2.gz RDADXVHMUWALBN-OWCLPIDISA-N 1 1 331.372 0.976 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827415780 588119459 /nfs/dbraw/zinc/11/94/59/588119459.db2.gz LGZCKPYIQKEIRU-DZGCQCFKSA-N 1 1 337.376 0.543 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832823702 588507153 /nfs/dbraw/zinc/50/71/53/588507153.db2.gz VKAIMOSIIHWRDS-HNNXBMFYSA-N 1 1 338.408 0.628 20 5 ECBDMO CN(CCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000832823702 588507155 /nfs/dbraw/zinc/50/71/55/588507155.db2.gz VKAIMOSIIHWRDS-HNNXBMFYSA-N 1 1 338.408 0.628 20 5 ECBDMO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000857712747 589701712 /nfs/dbraw/zinc/70/17/12/589701712.db2.gz TUQALMZIZCYPNK-LLVKDONJSA-N 1 1 335.364 0.879 20 5 ECBDMO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000857712747 589701713 /nfs/dbraw/zinc/70/17/13/589701713.db2.gz TUQALMZIZCYPNK-LLVKDONJSA-N 1 1 335.364 0.879 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000858629242 589762248 /nfs/dbraw/zinc/76/22/48/589762248.db2.gz YMSNSUYNXPLBAP-VIFPVBQESA-N 1 1 333.341 0.309 20 5 ECBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000129574823 590538427 /nfs/dbraw/zinc/53/84/27/590538427.db2.gz GKWVLTZHGLRHAG-PHIMTYICSA-N 1 1 325.369 0.510 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1C ZINC000129574823 590538430 /nfs/dbraw/zinc/53/84/30/590538430.db2.gz GKWVLTZHGLRHAG-PHIMTYICSA-N 1 1 325.369 0.510 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000924993525 611446914 /nfs/dbraw/zinc/44/69/14/611446914.db2.gz LRSXPQMDIKVWAS-KBPBESRZSA-N 1 1 348.403 0.990 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000931407361 611538091 /nfs/dbraw/zinc/53/80/91/611538091.db2.gz WJOTZQIDTXCJIM-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000931407361 611538094 /nfs/dbraw/zinc/53/80/94/611538094.db2.gz WJOTZQIDTXCJIM-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO CN1CC[N@@H+](C)CC(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)C1 ZINC000911469373 609876309 /nfs/dbraw/zinc/87/63/09/609876309.db2.gz GKMPZDUOOUXUKV-UHFFFAOYSA-N 1 1 342.346 0.983 20 5 ECBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912604461 609975732 /nfs/dbraw/zinc/97/57/32/609975732.db2.gz KGTQJXPKRBFCMI-UHFFFAOYSA-N 1 1 325.365 0.990 20 5 ECBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)CCO)cc([N+](=O)[O-])c1C ZINC000912604887 609975954 /nfs/dbraw/zinc/97/59/54/609975954.db2.gz UYKCUSKVIQXUDY-UHFFFAOYSA-N 1 1 325.365 0.908 20 5 ECBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000918368051 610004439 /nfs/dbraw/zinc/00/44/39/610004439.db2.gz CPJWQFRKQWRLSM-OKILXGFUSA-N 1 1 340.405 0.952 20 5 ECBDMO COc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164965936 722066674 /nfs/dbraw/zinc/06/66/74/722066674.db2.gz SETKLSAGQOBFQN-TXEJJXNPSA-N 1 1 335.364 0.693 20 5 ECBDMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@H]32)n1 ZINC001026105606 740381636 /nfs/dbraw/zinc/38/16/36/740381636.db2.gz SLFDMLDIOAFBOE-NHAGDIPZSA-N 1 1 342.359 0.584 20 5 ECBDMO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC000997771295 743800744 /nfs/dbraw/zinc/80/07/44/743800744.db2.gz FRRCROVHNQJHBL-HUUCEWRRSA-N 1 1 333.392 0.778 20 5 ECBDMO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cn1 ZINC000983647806 744990206 /nfs/dbraw/zinc/99/02/06/744990206.db2.gz CXWXFGWEKXYGKK-AAVRWANBSA-N 1 1 334.376 0.740 20 5 ECBDMO CC(C)=CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575320 769161212 /nfs/dbraw/zinc/16/12/12/769161212.db2.gz RYORBRQWGOFCHQ-ZIAGYGMSSA-N 1 1 338.408 0.315 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001055955260 770356974 /nfs/dbraw/zinc/35/69/74/770356974.db2.gz XAMBMLINXYCOGL-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO Nc1nccnc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031588755 771353510 /nfs/dbraw/zinc/35/35/10/771353510.db2.gz TUCWFNQZQVSWHG-UHFFFAOYSA-N 1 1 342.359 0.829 20 5 ECBDMO CCc1nocc1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072721050 788647769 /nfs/dbraw/zinc/64/77/69/788647769.db2.gz AUPWWXQTIALYMX-TZMCWYRMSA-N 1 1 334.376 0.937 20 5 ECBDMO Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC001072724764 788651797 /nfs/dbraw/zinc/65/17/97/788651797.db2.gz DPEFEWIXKAZEGX-ZIAGYGMSSA-N 1 1 348.407 0.094 20 5 ECBDMO Cc1nc(C)n(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072724764 788651799 /nfs/dbraw/zinc/65/17/99/788651799.db2.gz DPEFEWIXKAZEGX-ZIAGYGMSSA-N 1 1 348.407 0.094 20 5 ECBDMO Cc1nc(C)n(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072724764 788651802 /nfs/dbraw/zinc/65/18/02/788651802.db2.gz DPEFEWIXKAZEGX-ZIAGYGMSSA-N 1 1 348.407 0.094 20 5 ECBDMO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067389230 793077525 /nfs/dbraw/zinc/07/75/25/793077525.db2.gz VDKOLANVAHIGGW-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389230 793077537 /nfs/dbraw/zinc/07/75/37/793077537.db2.gz VDKOLANVAHIGGW-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO CC[N@@H+](C)CCC(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389230 793077548 /nfs/dbraw/zinc/07/75/48/793077548.db2.gz VDKOLANVAHIGGW-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO CNC(=O)c1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001266273737 835596196 /nfs/dbraw/zinc/59/61/96/835596196.db2.gz ZWOYKEOFBTWXBV-ZIAGYGMSSA-N 1 1 334.376 0.259 20 5 ECBDMO CNC(=O)c1ccc(C[N@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001266273737 835596202 /nfs/dbraw/zinc/59/62/02/835596202.db2.gz ZWOYKEOFBTWXBV-ZIAGYGMSSA-N 1 1 334.376 0.259 20 5 ECBDMO CNC(=O)c1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001266273737 835596204 /nfs/dbraw/zinc/59/62/04/835596204.db2.gz ZWOYKEOFBTWXBV-ZIAGYGMSSA-N 1 1 334.376 0.259 20 5 ECBDMO NC(=O)c1cccc(C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)c1 ZINC001266591981 836024003 /nfs/dbraw/zinc/02/40/03/836024003.db2.gz DRDJOFWMGYVOKV-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO C[NH+](C)C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CCO1 ZINC000122540070 282140597 /nfs/dbraw/zinc/14/05/97/282140597.db2.gz GWUCEWREBWOEIE-NSHDSACASA-N 1 1 343.405 0.765 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425550932 210071674 /nfs/dbraw/zinc/07/16/74/210071674.db2.gz PSKNUBBNRVTXFV-DGCLKSJQSA-N 1 1 333.348 0.942 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000193174127 240049137 /nfs/dbraw/zinc/04/91/37/240049137.db2.gz GEBXLVJIKCJUCM-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000193174127 240049150 /nfs/dbraw/zinc/04/91/50/240049150.db2.gz GEBXLVJIKCJUCM-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193616052 240236113 /nfs/dbraw/zinc/23/61/13/240236113.db2.gz PWQJIIKJUWSSLG-MFKMUULPSA-N 1 1 341.389 0.483 20 5 ECBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000106396107 204193207 /nfs/dbraw/zinc/19/32/07/204193207.db2.gz VIPNKCWBPULSAK-NSHDSACASA-N 1 1 340.355 0.845 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)CCCO ZINC000109798838 204294356 /nfs/dbraw/zinc/29/43/56/204294356.db2.gz OMODXIMMCVGYTJ-UHFFFAOYSA-N 1 1 325.365 0.909 20 5 ECBDMO CCNC(=O)C(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459601070 211845658 /nfs/dbraw/zinc/84/56/58/211845658.db2.gz VSXPTJLXBBCDJD-UHFFFAOYSA-N 1 1 334.376 0.988 20 5 ECBDMO CNS(=O)(=O)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000111201959 220108517 /nfs/dbraw/zinc/10/85/17/220108517.db2.gz GAIJQTHOFZNXGE-UHFFFAOYSA-N 1 1 342.421 0.656 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000246855761 205239170 /nfs/dbraw/zinc/23/91/70/205239170.db2.gz VGILAKVIMWETBI-QWRGUYRKSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000246855761 205239175 /nfs/dbraw/zinc/23/91/75/205239175.db2.gz VGILAKVIMWETBI-QWRGUYRKSA-N 1 1 347.375 0.998 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450774933 211342184 /nfs/dbraw/zinc/34/21/84/211342184.db2.gz ABXCXSKQWYZSFP-IINYFYTJSA-N 1 1 340.405 0.643 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000450304214 211317793 /nfs/dbraw/zinc/31/77/93/211317793.db2.gz LKJYMHPNBOYRJG-LLVKDONJSA-N 1 1 346.391 0.892 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445900146 211124769 /nfs/dbraw/zinc/12/47/69/211124769.db2.gz YMSFOCSDJJACOV-MRXNPFEDSA-N 1 1 347.419 0.908 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000174630371 207039203 /nfs/dbraw/zinc/03/92/03/207039203.db2.gz JRTJDGJLUHTVJU-ZYHUDNBSSA-N 1 1 339.396 0.554 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@@H](C)O ZINC000174630371 207039207 /nfs/dbraw/zinc/03/92/07/207039207.db2.gz JRTJDGJLUHTVJU-ZYHUDNBSSA-N 1 1 339.396 0.554 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000174648869 207042492 /nfs/dbraw/zinc/04/24/92/207042492.db2.gz APXDMFVQUAPJOF-CQSZACIVSA-N 1 1 347.375 0.680 20 5 ECBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650263 207042504 /nfs/dbraw/zinc/04/25/04/207042504.db2.gz YEDPKDVDMZYFSL-OAHLLOKOSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650263 207042507 /nfs/dbraw/zinc/04/25/07/207042507.db2.gz YEDPKDVDMZYFSL-OAHLLOKOSA-N 1 1 334.376 0.574 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000411959596 208179572 /nfs/dbraw/zinc/17/95/72/208179572.db2.gz VUAWRVSUEVVFSP-CYBMUJFWSA-N 1 1 346.387 0.894 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866212 221199154 /nfs/dbraw/zinc/19/91/54/221199154.db2.gz DDVUSAOLVFQCHQ-ZDUSSCGKSA-N 1 1 349.391 0.725 20 5 ECBDMO O=C(NCCC[NH+]1CCOCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000298707454 296845621 /nfs/dbraw/zinc/84/56/21/296845621.db2.gz VJCPVTBETUQVBK-UHFFFAOYSA-N 1 1 333.348 0.923 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000246174980 165124837 /nfs/dbraw/zinc/12/48/37/165124837.db2.gz GBVNTOXCQWGEGA-MCIONIFRSA-N 1 1 326.353 0.032 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000246174980 165124840 /nfs/dbraw/zinc/12/48/40/165124840.db2.gz GBVNTOXCQWGEGA-MCIONIFRSA-N 1 1 326.353 0.032 20 5 ECBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000247146134 165155274 /nfs/dbraw/zinc/15/52/74/165155274.db2.gz XGMWGKHCFPCPCX-KBXIAJHMSA-N 1 1 340.380 0.421 20 5 ECBDMO C[C@](O)(CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000174479674 263150308 /nfs/dbraw/zinc/15/03/08/263150308.db2.gz LKYFAESUBMMQOQ-LXXRFIIISA-N 1 1 349.387 0.807 20 5 ECBDMO NS(=O)(=O)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270642514 263258797 /nfs/dbraw/zinc/25/87/97/263258797.db2.gz PWXLPJPEXMCISZ-AWEZNQCLSA-N 1 1 343.405 0.629 20 5 ECBDMO CC[N@@H+](C)CCNc1ccc(C(=O)NCC(=O)OC)cc1[N+](=O)[O-] ZINC000271652329 263320933 /nfs/dbraw/zinc/32/09/33/263320933.db2.gz SIPJAUFHKWMUNO-UHFFFAOYSA-N 1 1 338.364 0.861 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000272402917 263346918 /nfs/dbraw/zinc/34/69/18/263346918.db2.gz ICAJCLPRGRLVET-GFCCVEGCSA-N 1 1 334.376 0.971 20 5 ECBDMO COc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000272792298 263373566 /nfs/dbraw/zinc/37/35/66/263373566.db2.gz GNKBDLMFXFSYDY-LBPRGKRZSA-N 1 1 337.380 0.971 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000272996063 263386593 /nfs/dbraw/zinc/38/65/93/263386593.db2.gz WVVAENMIGPYQEB-UHFFFAOYSA-N 1 1 336.348 0.752 20 5 ECBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000286240018 264382226 /nfs/dbraw/zinc/38/22/26/264382226.db2.gz ZNCITSBGPABWKV-SWLSCSKDSA-N 1 1 348.403 0.989 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[NH2+]C[C@@](C)(F)C2)c(C)c1[N+](=O)[O-] ZINC000295286497 265059350 /nfs/dbraw/zinc/05/93/50/265059350.db2.gz TZGMXNUDIVKRCZ-CQSZACIVSA-N 1 1 327.360 0.958 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)C[C@H](C)O1 ZINC000298294917 265235710 /nfs/dbraw/zinc/23/57/10/265235710.db2.gz JVMJSXUYROWMKV-PHIMTYICSA-N 1 1 337.380 1.000 20 5 ECBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C(COC)COC)CC1 ZINC000413483309 276709379 /nfs/dbraw/zinc/70/93/79/276709379.db2.gz XAZIJEJASVFPSD-UHFFFAOYSA-N 1 1 341.412 0.903 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413903998 277361719 /nfs/dbraw/zinc/36/17/19/277361719.db2.gz OYYGDKRLDVSKIU-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413903998 277361720 /nfs/dbraw/zinc/36/17/20/277361720.db2.gz OYYGDKRLDVSKIU-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1O ZINC000330715309 437597288 /nfs/dbraw/zinc/59/72/88/437597288.db2.gz SNCFVPFQHBSALB-MGPQQGTHSA-N 1 1 326.397 0.881 20 5 ECBDMO COC(=O)[C@]1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000337464809 297189965 /nfs/dbraw/zinc/18/99/65/297189965.db2.gz SPOJJLLOMTUOJL-VHRBIJSZSA-N 1 1 326.353 0.283 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000338879205 297305160 /nfs/dbraw/zinc/30/51/60/297305160.db2.gz BPQMALHLXHAJAJ-UHFFFAOYSA-N 1 1 333.352 0.310 20 5 ECBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354519494 299063369 /nfs/dbraw/zinc/06/33/69/299063369.db2.gz FRFGBNJXVHEGOF-OLZOCXBDSA-N 1 1 345.359 0.683 20 5 ECBDMO CS(=O)(=O)NCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361395096 300089016 /nfs/dbraw/zinc/08/90/16/300089016.db2.gz LFKYRSVZVGFIDE-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)NCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000361395096 300089019 /nfs/dbraw/zinc/08/90/19/300089019.db2.gz LFKYRSVZVGFIDE-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000363197493 300253571 /nfs/dbraw/zinc/25/35/71/300253571.db2.gz OLFWSLVQLQSSHX-UWVGGRQHSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC000363197493 300253573 /nfs/dbraw/zinc/25/35/73/300253573.db2.gz OLFWSLVQLQSSHX-UWVGGRQHSA-N 1 1 347.418 0.798 20 5 ECBDMO O=C1CCCN1C[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340094 300347347 /nfs/dbraw/zinc/34/73/47/300347347.db2.gz RJMFZABBNRAABN-GXTWGEPZSA-N 1 1 337.380 0.412 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000366143280 300520074 /nfs/dbraw/zinc/52/00/74/300520074.db2.gz OKARWKWONYSCTE-CQSZACIVSA-N 1 1 347.375 0.368 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000073796209 436094414 /nfs/dbraw/zinc/09/44/14/436094414.db2.gz UXJZLYNSLGEATH-JSGCOSHPSA-N 1 1 349.391 0.723 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000073796209 436094419 /nfs/dbraw/zinc/09/44/19/436094419.db2.gz UXJZLYNSLGEATH-JSGCOSHPSA-N 1 1 349.391 0.723 20 5 ECBDMO CC(C)C(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075712145 436171663 /nfs/dbraw/zinc/17/16/63/436171663.db2.gz IXXHGHRIRWXEKU-CQSZACIVSA-N 1 1 339.396 0.343 20 5 ECBDMO CCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075677482 436172511 /nfs/dbraw/zinc/17/25/11/436172511.db2.gz QWNSHBFWQPSSLR-AAEUAGOBSA-N 1 1 325.369 0.143 20 5 ECBDMO C[NH+]1CCC(O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000077450248 436238372 /nfs/dbraw/zinc/23/83/72/436238372.db2.gz NXBUDFOVYMLYNM-UHFFFAOYSA-N 1 1 337.376 0.912 20 5 ECBDMO CN(CC(=O)NCCC[NH+]1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000079326198 436296069 /nfs/dbraw/zinc/29/60/69/436296069.db2.gz ZNLCJQJLJDLQQC-UHFFFAOYSA-N 1 1 349.435 0.785 20 5 ECBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000081417734 436345113 /nfs/dbraw/zinc/34/51/13/436345113.db2.gz RDXVWZLYGAECFY-WCQYABFASA-N 1 1 335.364 0.333 20 5 ECBDMO C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000081417734 436345116 /nfs/dbraw/zinc/34/51/16/436345116.db2.gz RDXVWZLYGAECFY-WCQYABFASA-N 1 1 335.364 0.333 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843018 436476892 /nfs/dbraw/zinc/47/68/92/436476892.db2.gz KYBCLOKRZRQSKT-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000092843018 436476895 /nfs/dbraw/zinc/47/68/95/436476895.db2.gz KYBCLOKRZRQSKT-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051768676 436496993 /nfs/dbraw/zinc/49/69/93/436496993.db2.gz XBYYXAMGJQTFHJ-ZDUSSCGKSA-N 1 1 325.365 0.745 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000109309119 436624962 /nfs/dbraw/zinc/62/49/62/436624962.db2.gz PXRKSOLDTQPDLW-UHFFFAOYSA-N 1 1 349.391 0.581 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000548718272 302323356 /nfs/dbraw/zinc/32/33/56/302323356.db2.gz NYYVNNHUYDCAIR-UHFFFAOYSA-N 1 1 333.352 0.956 20 5 ECBDMO C[N@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC000066923789 436700191 /nfs/dbraw/zinc/70/01/91/436700191.db2.gz CBIZTOFLRVKMLP-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C1CC1 ZINC000066923789 436700194 /nfs/dbraw/zinc/70/01/94/436700194.db2.gz CBIZTOFLRVKMLP-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000151620101 436707709 /nfs/dbraw/zinc/70/77/09/436707709.db2.gz XTFKDXSXYCMEKM-GFCCVEGCSA-N 1 1 336.396 0.380 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)CC1 ZINC000065955336 436675579 /nfs/dbraw/zinc/67/55/79/436675579.db2.gz PNRMQASVKSJDMH-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO COC(C[N@@H+](CCCO)CCn1cc([N+](=O)[O-])ccc1=O)OC ZINC000273673268 436776333 /nfs/dbraw/zinc/77/63/33/436776333.db2.gz ZLMIDXRUBCRIGS-UHFFFAOYSA-N 1 1 329.353 0.060 20 5 ECBDMO NS(=O)(=O)c1cccc(NCC[N@@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000280206598 436871653 /nfs/dbraw/zinc/87/16/53/436871653.db2.gz JVKIMZSSUDZPQD-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO COc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])c1 ZINC000162634382 436910580 /nfs/dbraw/zinc/91/05/80/436910580.db2.gz NHRSCVLLJNEAAC-UHFFFAOYSA-N 1 1 325.293 0.476 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000281363077 436963641 /nfs/dbraw/zinc/96/36/41/436963641.db2.gz NZDRRIOPVLCTCA-NEPJUHHUSA-N 1 1 334.332 0.624 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000281363077 436963644 /nfs/dbraw/zinc/96/36/44/436963644.db2.gz NZDRRIOPVLCTCA-NEPJUHHUSA-N 1 1 334.332 0.624 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295624116 436975566 /nfs/dbraw/zinc/97/55/66/436975566.db2.gz YXBUJUXVUJVOQT-CYBMUJFWSA-N 1 1 337.376 0.937 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H](O)C1 ZINC000295707082 436977199 /nfs/dbraw/zinc/97/71/99/436977199.db2.gz UKRABSJSIZNBAQ-LBPRGKRZSA-N 1 1 339.348 0.625 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882066 436931235 /nfs/dbraw/zinc/93/12/35/436931235.db2.gz DLOUZHBCQFDGOU-LRDDRELGSA-N 1 1 346.343 0.424 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882066 436931237 /nfs/dbraw/zinc/93/12/37/436931237.db2.gz DLOUZHBCQFDGOU-LRDDRELGSA-N 1 1 346.343 0.424 20 5 ECBDMO CNS(=O)(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280949864 436935572 /nfs/dbraw/zinc/93/55/72/436935572.db2.gz IOOHRLWYHUMWQT-UHFFFAOYSA-N 1 1 342.421 0.921 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281067523 436943891 /nfs/dbraw/zinc/94/38/91/436943891.db2.gz KORWMVLIFJMGIJ-MLGOLLRUSA-N 1 1 337.376 0.793 20 5 ECBDMO Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000281582704 436983469 /nfs/dbraw/zinc/98/34/69/436983469.db2.gz ZQIIQACWEYBPMB-CYBMUJFWSA-N 1 1 336.392 0.644 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264556791 437046141 /nfs/dbraw/zinc/04/61/41/437046141.db2.gz PXAOOOCGSWTZEK-ZDUSSCGKSA-N 1 1 338.339 0.804 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173431518 437049659 /nfs/dbraw/zinc/04/96/59/437049659.db2.gz GEGPZUUBWFBKAG-UHFFFAOYSA-N 1 1 349.384 0.981 20 5 ECBDMO O=C([C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000174814561 437087776 /nfs/dbraw/zinc/08/77/76/437087776.db2.gz AFUMBQGOXYJXIV-ZDUSSCGKSA-N 1 1 337.380 0.362 20 5 ECBDMO NC(=O)[C@@]1(O)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000276464524 437109464 /nfs/dbraw/zinc/10/94/64/437109464.db2.gz PDNMHOJYPWBJGA-CQSZACIVSA-N 1 1 333.304 0.067 20 5 ECBDMO NC(=O)[C@@]1(O)CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000276464524 437109469 /nfs/dbraw/zinc/10/94/69/437109469.db2.gz PDNMHOJYPWBJGA-CQSZACIVSA-N 1 1 333.304 0.067 20 5 ECBDMO CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334082 437157787 /nfs/dbraw/zinc/15/77/87/437157787.db2.gz WDVVCWAITOXZJI-HIFRSBDPSA-N 1 1 325.413 0.958 20 5 ECBDMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334082 437157789 /nfs/dbraw/zinc/15/77/89/437157789.db2.gz WDVVCWAITOXZJI-HIFRSBDPSA-N 1 1 325.413 0.958 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)[N@@H+](C)C1 ZINC000331964990 437188077 /nfs/dbraw/zinc/18/80/77/437188077.db2.gz SUMJDECYGHVTNQ-STQMWFEESA-N 1 1 337.380 0.674 20 5 ECBDMO C[C@]1(O)CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000178025977 437204514 /nfs/dbraw/zinc/20/45/14/437204514.db2.gz JAIXSJKZIMFSJV-KRWDZBQOSA-N 1 1 348.403 0.700 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181329675 437317065 /nfs/dbraw/zinc/31/70/65/437317065.db2.gz BZWJWBZZWNGAMP-HNNXBMFYSA-N 1 1 345.359 0.880 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113679 437292752 /nfs/dbraw/zinc/29/27/52/437292752.db2.gz YFTXXUCWQWVPIY-OLZOCXBDSA-N 1 1 339.396 0.654 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000288693015 437345621 /nfs/dbraw/zinc/34/56/21/437345621.db2.gz VSNZUZYYHUKFGG-UHFFFAOYSA-N 1 1 344.437 0.757 20 5 ECBDMO CN(CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288693015 437345623 /nfs/dbraw/zinc/34/56/23/437345623.db2.gz VSNZUZYYHUKFGG-UHFFFAOYSA-N 1 1 344.437 0.757 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000278937416 437359269 /nfs/dbraw/zinc/35/92/69/437359269.db2.gz XATUDOXKWICLLN-GFCCVEGCSA-N 1 1 337.380 0.503 20 5 ECBDMO O=c1nc([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289406190 437408707 /nfs/dbraw/zinc/40/87/07/437408707.db2.gz LJHFPXMBYABFGC-AAEUAGOBSA-N 1 1 333.348 0.919 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000338967383 437431222 /nfs/dbraw/zinc/43/12/22/437431222.db2.gz SYIIMSNPDUCPTP-CYBMUJFWSA-N 1 1 334.376 0.912 20 5 ECBDMO Cc1ccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000186607548 437477153 /nfs/dbraw/zinc/47/71/53/437477153.db2.gz TWEUPSVBEUADHD-CQSZACIVSA-N 1 1 346.387 0.940 20 5 ECBDMO C[C@@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290007407 437456726 /nfs/dbraw/zinc/45/67/26/437456726.db2.gz ZOJKRYQOCXBEOL-SECBINFHSA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290007407 437456727 /nfs/dbraw/zinc/45/67/27/437456727.db2.gz ZOJKRYQOCXBEOL-SECBINFHSA-N 1 1 331.756 0.862 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CCO)C[C@@H](C)O ZINC000290014237 437457065 /nfs/dbraw/zinc/45/70/65/437457065.db2.gz ZZHNKSSWJGDFNZ-GFCCVEGCSA-N 1 1 325.365 0.907 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330461980 437517204 /nfs/dbraw/zinc/51/72/04/437517204.db2.gz XYDCOENXBQECDV-WDEREUQCSA-N 1 1 345.425 0.772 20 5 ECBDMO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000188732617 437569515 /nfs/dbraw/zinc/56/95/15/437569515.db2.gz GBKHFXUSLANFHU-LBPRGKRZSA-N 1 1 339.396 0.485 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@H](C)O1 ZINC000354261454 437573637 /nfs/dbraw/zinc/57/36/37/437573637.db2.gz OFVUTDQBNWDHKE-JFGNBEQYSA-N 1 1 345.783 0.880 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@H](C)O1 ZINC000354261454 437573640 /nfs/dbraw/zinc/57/36/40/437573640.db2.gz OFVUTDQBNWDHKE-JFGNBEQYSA-N 1 1 345.783 0.880 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000330656617 437580694 /nfs/dbraw/zinc/58/06/94/437580694.db2.gz OWZRGHKNUHEXLG-NSHDSACASA-N 1 1 325.369 0.415 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[N@@H+]1CCCOCC1 ZINC000189100481 437582531 /nfs/dbraw/zinc/58/25/31/437582531.db2.gz TWPAZZPGGGKUON-UHFFFAOYSA-N 1 1 343.405 0.737 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[N@H+]1CCCOCC1 ZINC000189100481 437582538 /nfs/dbraw/zinc/58/25/38/437582538.db2.gz TWPAZZPGGGKUON-UHFFFAOYSA-N 1 1 343.405 0.737 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000191898796 437657635 /nfs/dbraw/zinc/65/76/35/437657635.db2.gz XXNVGAFQHSNBIH-LLVKDONJSA-N 1 1 339.396 0.728 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)n1 ZINC000191898796 437657641 /nfs/dbraw/zinc/65/76/41/437657641.db2.gz XXNVGAFQHSNBIH-LLVKDONJSA-N 1 1 339.396 0.728 20 5 ECBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361507988 437665647 /nfs/dbraw/zinc/66/56/47/437665647.db2.gz HVSZDOMOUUNVCV-ZNMIVQPWSA-N 1 1 340.380 0.422 20 5 ECBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344034870 437720430 /nfs/dbraw/zinc/72/04/30/437720430.db2.gz PHHXRKARGKGSIY-UHFFFAOYSA-N 1 1 336.352 0.760 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356458839 437767879 /nfs/dbraw/zinc/76/78/79/437767879.db2.gz PUKLYNVIEIOANC-LBPRGKRZSA-N 1 1 338.412 0.332 20 5 ECBDMO CC(=O)NCC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347629927 437919003 /nfs/dbraw/zinc/91/90/03/437919003.db2.gz AHFICRHHTNGJRY-HIFRSBDPSA-N 1 1 339.396 0.390 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365635552 437943037 /nfs/dbraw/zinc/94/30/37/437943037.db2.gz HBBLLCSMWUJGHS-OJLVUWQFSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365635552 437943040 /nfs/dbraw/zinc/94/30/40/437943040.db2.gz HBBLLCSMWUJGHS-OJLVUWQFSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365635552 437943045 /nfs/dbraw/zinc/94/30/45/437943045.db2.gz HBBLLCSMWUJGHS-OJLVUWQFSA-N 1 1 335.408 0.568 20 5 ECBDMO COC(=O)[C@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570635 437958476 /nfs/dbraw/zinc/95/84/76/437958476.db2.gz DOPJUTAXOCEBQH-QWHCGFSZSA-N 1 1 326.353 0.570 20 5 ECBDMO COC(=O)[C@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570635 437958479 /nfs/dbraw/zinc/95/84/79/437958479.db2.gz DOPJUTAXOCEBQH-QWHCGFSZSA-N 1 1 326.353 0.570 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O)C1CC1 ZINC000357433037 437987078 /nfs/dbraw/zinc/98/70/78/437987078.db2.gz CMUFUDYQCFDZLB-CYBMUJFWSA-N 1 1 334.332 0.867 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(c2ncc(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000357691607 438044116 /nfs/dbraw/zinc/04/41/16/438044116.db2.gz QEQDIOKJPUDCEH-GFCCVEGCSA-N 1 1 338.364 0.669 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]12 ZINC000366305980 438049989 /nfs/dbraw/zinc/04/99/89/438049989.db2.gz FAJMMDOIWLQZIV-WDEREUQCSA-N 1 1 334.288 0.598 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]12 ZINC000366305980 438049995 /nfs/dbraw/zinc/04/99/95/438049995.db2.gz FAJMMDOIWLQZIV-WDEREUQCSA-N 1 1 334.288 0.598 20 5 ECBDMO CCN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ncc[nH]1 ZINC000348413975 438058834 /nfs/dbraw/zinc/05/88/34/438058834.db2.gz SWTMLCIWFGELEG-KGLIPLIRSA-N 1 1 349.395 0.254 20 5 ECBDMO CCN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1c1ncc[nH]1 ZINC000348413975 438058840 /nfs/dbraw/zinc/05/88/40/438058840.db2.gz SWTMLCIWFGELEG-KGLIPLIRSA-N 1 1 349.395 0.254 20 5 ECBDMO CC[NH+]1CCN(CCCCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000358023702 438126151 /nfs/dbraw/zinc/12/61/51/438126151.db2.gz JMEJYWAHJOQJQM-UHFFFAOYSA-N 1 1 338.412 0.774 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000373074674 438127089 /nfs/dbraw/zinc/12/70/89/438127089.db2.gz OXYUDBHJJUWYIR-CYBMUJFWSA-N 1 1 333.348 0.808 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000373074674 438127092 /nfs/dbraw/zinc/12/70/92/438127092.db2.gz OXYUDBHJJUWYIR-CYBMUJFWSA-N 1 1 333.348 0.808 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418527774 438156995 /nfs/dbraw/zinc/15/69/95/438156995.db2.gz UBPUYVCPJMCVDQ-UHFFFAOYSA-N 1 1 330.291 0.961 20 5 ECBDMO C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367622207 438229392 /nfs/dbraw/zinc/22/93/92/438229392.db2.gz GMELEIMCQSDBDQ-HNNXBMFYSA-N 1 1 336.440 0.751 20 5 ECBDMO CN1CC[NH+](C[C@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367622207 438229394 /nfs/dbraw/zinc/22/93/94/438229394.db2.gz GMELEIMCQSDBDQ-HNNXBMFYSA-N 1 1 336.440 0.751 20 5 ECBDMO O=c1[nH]c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367714637 438240885 /nfs/dbraw/zinc/24/08/85/438240885.db2.gz DBOYNLZKGZREHX-NWDGAFQWSA-N 1 1 345.359 1.519 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000367988862 438272732 /nfs/dbraw/zinc/27/27/32/438272732.db2.gz MWJUGGOXKZWPDX-RISCZKNCSA-N 1 1 332.360 0.897 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000352022994 438372856 /nfs/dbraw/zinc/37/28/56/438372856.db2.gz STFKPOYODNKEKV-NEPJUHHUSA-N 1 1 337.332 0.320 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000378310723 438373717 /nfs/dbraw/zinc/37/37/17/438373717.db2.gz GPDNCJZEJPCIOA-CQSZACIVSA-N 1 1 334.376 0.610 20 5 ECBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405638002 438470715 /nfs/dbraw/zinc/47/07/15/438470715.db2.gz BRLONXYPCCRICE-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405638002 438470721 /nfs/dbraw/zinc/47/07/21/438470721.db2.gz BRLONXYPCCRICE-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000369348471 438457435 /nfs/dbraw/zinc/45/74/35/438457435.db2.gz SZBRMGVZVDFOGA-AWEZNQCLSA-N 1 1 348.403 0.731 20 5 ECBDMO COCCCNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489456 438553080 /nfs/dbraw/zinc/55/30/80/438553080.db2.gz PDYKSZPJOUOPAP-LBPRGKRZSA-N 1 1 337.380 0.629 20 5 ECBDMO COCCCNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440489456 438553083 /nfs/dbraw/zinc/55/30/83/438553083.db2.gz PDYKSZPJOUOPAP-LBPRGKRZSA-N 1 1 337.380 0.629 20 5 ECBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNC1=O ZINC000440490169 438553114 /nfs/dbraw/zinc/55/31/14/438553114.db2.gz FBZKXSLFWWULMO-JTQLQIEISA-N 1 1 334.336 0.028 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNC1=O ZINC000440490169 438553115 /nfs/dbraw/zinc/55/31/15/438553115.db2.gz FBZKXSLFWWULMO-JTQLQIEISA-N 1 1 334.336 0.028 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452387307 438660619 /nfs/dbraw/zinc/66/06/19/438660619.db2.gz GVBDFUDGIPTKJW-ZDUSSCGKSA-N 1 1 337.376 0.937 20 5 ECBDMO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+]1CCO)n1cc([N+](=O)[O-])cn1 ZINC000452797302 438674304 /nfs/dbraw/zinc/67/43/04/438674304.db2.gz MNOPYFNCVIYSRD-LBPRGKRZSA-N 1 1 339.396 0.489 20 5 ECBDMO O=C1NCC[C@@]12CCC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811683 438755962 /nfs/dbraw/zinc/75/59/62/438755962.db2.gz CMBCCZCYGGRPAV-BBRMVZONSA-N 1 1 335.360 0.689 20 5 ECBDMO CNc1nc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455642992 438750740 /nfs/dbraw/zinc/75/07/40/438750740.db2.gz SIORCEJZRQVOKQ-NSHDSACASA-N 1 1 337.380 0.872 20 5 ECBDMO Cn1cc([C@@H](CO)[NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cn1 ZINC000494799582 438709285 /nfs/dbraw/zinc/70/92/85/438709285.db2.gz KJQVZCVULGQSND-HUUCEWRRSA-N 1 1 345.359 0.757 20 5 ECBDMO CNc1nc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000455991875 438755169 /nfs/dbraw/zinc/75/51/69/438755169.db2.gz URAMIUXHNRVPHV-UHFFFAOYSA-N 1 1 345.363 0.727 20 5 ECBDMO CNc1nc(C(=O)N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)ccc1[N+](=O)[O-] ZINC000456046606 438756585 /nfs/dbraw/zinc/75/65/85/438756585.db2.gz GHJSQFHRPFTFKW-QWRGUYRKSA-N 1 1 337.380 0.823 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)C1 ZINC000587979564 438811957 /nfs/dbraw/zinc/81/19/57/438811957.db2.gz JKHWNGDJXMYRNP-CQSZACIVSA-N 1 1 349.435 0.886 20 5 ECBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595524521 438816258 /nfs/dbraw/zinc/81/62/58/438816258.db2.gz WNOLWKPYCNFJQV-AWEZNQCLSA-N 1 1 337.424 0.813 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)Cc1ccccc1 ZINC000595598779 438831017 /nfs/dbraw/zinc/83/10/17/438831017.db2.gz WPQZEFMDKXGSQV-ZBFHGGJFSA-N 1 1 334.376 0.688 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608753 438834798 /nfs/dbraw/zinc/83/47/98/438834798.db2.gz VMLJKNSKPQPWRZ-LLVKDONJSA-N 1 1 330.348 0.807 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2C1 ZINC000590044078 438900076 /nfs/dbraw/zinc/90/00/76/438900076.db2.gz GNLZRIIGGCAQIT-XHDPSFHLSA-N 1 1 342.359 0.952 20 5 ECBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000596179910 438936068 /nfs/dbraw/zinc/93/60/68/438936068.db2.gz UYFYORSLENWNAR-ZJUUUORDSA-N 1 1 328.394 0.771 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000459652097 438983558 /nfs/dbraw/zinc/98/35/58/438983558.db2.gz QBQQNWBPJIQAQE-ZFWWWQNUSA-N 1 1 326.349 0.154 20 5 ECBDMO COc1ccc(OCC[N@H+]2CCC[C@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459651719 438985247 /nfs/dbraw/zinc/98/52/47/438985247.db2.gz VNMHUIMVCMVGIR-OAHLLOKOSA-N 1 1 326.349 0.801 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000566118817 439007183 /nfs/dbraw/zinc/00/71/83/439007183.db2.gz HMYVKRUQSDTCKE-SECBINFHSA-N 1 1 346.269 0.751 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000566968526 439104680 /nfs/dbraw/zinc/10/46/80/439104680.db2.gz WNVDERFGCJVEEJ-CQSZACIVSA-N 1 1 330.348 0.750 20 5 ECBDMO COCc1nc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000591767973 439082554 /nfs/dbraw/zinc/08/25/54/439082554.db2.gz DSHIMUYXTOGPPK-LLVKDONJSA-N 1 1 327.366 0.545 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000602819123 439139606 /nfs/dbraw/zinc/13/96/06/439139606.db2.gz ZBUPOSWERKLXDP-GFCCVEGCSA-N 1 1 325.413 0.877 20 5 ECBDMO COc1cccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000597623601 439140897 /nfs/dbraw/zinc/14/08/97/439140897.db2.gz BJZYTEAEMZPBKL-LBPRGKRZSA-N 1 1 334.376 0.723 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597989684 439207529 /nfs/dbraw/zinc/20/75/29/439207529.db2.gz HIGMGAIIVCDVOO-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](CCO)C[C@@H]2C)c1 ZINC000593032216 439331734 /nfs/dbraw/zinc/33/17/34/439331734.db2.gz MIFFQDIEQLGEDM-LBPRGKRZSA-N 1 1 337.376 0.880 20 5 ECBDMO O=[N+]([O-])c1c(N[C@H]2CCc3[nH+]c[nH]c3C2)ncnc1N1CCOCC1 ZINC000598626991 439291206 /nfs/dbraw/zinc/29/12/06/439291206.db2.gz NLKDJTDFSRHKMB-JTQLQIEISA-N 1 1 345.363 0.914 20 5 ECBDMO O=[N+]([O-])c1c(N[C@H]2CCc3[nH]c[nH+]c3C2)ncnc1N1CCOCC1 ZINC000598626991 439291210 /nfs/dbraw/zinc/29/12/10/439291210.db2.gz NLKDJTDFSRHKMB-JTQLQIEISA-N 1 1 345.363 0.914 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599108690 439359914 /nfs/dbraw/zinc/35/99/14/439359914.db2.gz UOSRHWICDQTGTP-MRVPVSSYSA-N 1 1 349.340 0.009 20 5 ECBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233099 439393819 /nfs/dbraw/zinc/39/38/19/439393819.db2.gz RRQSGUPHGDDLTB-JTQLQIEISA-N 1 1 329.382 0.186 20 5 ECBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233099 439393823 /nfs/dbraw/zinc/39/38/23/439393823.db2.gz RRQSGUPHGDDLTB-JTQLQIEISA-N 1 1 329.382 0.186 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)nc1 ZINC000593532466 439395783 /nfs/dbraw/zinc/39/57/83/439395783.db2.gz WLVWEHKPRQWWRV-JTQLQIEISA-N 1 1 326.378 0.752 20 5 ECBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000599245851 439396971 /nfs/dbraw/zinc/39/69/71/439396971.db2.gz YHIXJNKRAGBPRI-MNOVXSKESA-N 1 1 345.425 0.822 20 5 ECBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599253866 439402955 /nfs/dbraw/zinc/40/29/55/439402955.db2.gz PODWMJQMKDKXSU-JTQLQIEISA-N 1 1 331.398 0.291 20 5 ECBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599570654 439510206 /nfs/dbraw/zinc/51/02/06/439510206.db2.gz UUCMVRLGUUMDAR-HNNXBMFYSA-N 1 1 337.332 0.458 20 5 ECBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599570654 439510213 /nfs/dbraw/zinc/51/02/13/439510213.db2.gz UUCMVRLGUUMDAR-HNNXBMFYSA-N 1 1 337.332 0.458 20 5 ECBDMO O=C1[C@@H](N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000594025167 439508918 /nfs/dbraw/zinc/50/89/18/439508918.db2.gz CCERTMHSBPCPMW-XHSDSOJGSA-N 1 1 346.387 0.451 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594026461 439509559 /nfs/dbraw/zinc/50/95/59/439509559.db2.gz CKWJKPYIENJTQI-MELADBBJSA-N 1 1 348.403 0.981 20 5 ECBDMO CC[N@@H+](C)C[C@@H](O)CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648763 439527350 /nfs/dbraw/zinc/52/73/50/439527350.db2.gz FFEQKDPVARXBOF-GOEBONIOSA-N 1 1 339.392 0.885 20 5 ECBDMO C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000572057543 439554625 /nfs/dbraw/zinc/55/46/25/439554625.db2.gz MYPWLQWUTMNYBD-JTQLQIEISA-N 1 1 337.380 0.489 20 5 ECBDMO C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000572057543 439554631 /nfs/dbraw/zinc/55/46/31/439554631.db2.gz MYPWLQWUTMNYBD-JTQLQIEISA-N 1 1 337.380 0.489 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257707 439555522 /nfs/dbraw/zinc/55/55/22/439555522.db2.gz ITCQHIRDMZKUPE-ZDUSSCGKSA-N 1 1 349.391 0.604 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000572131502 439558168 /nfs/dbraw/zinc/55/81/68/439558168.db2.gz DZMWWYRZFPQFLD-HNNXBMFYSA-N 1 1 348.403 0.990 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000572131502 439558175 /nfs/dbraw/zinc/55/81/75/439558175.db2.gz DZMWWYRZFPQFLD-HNNXBMFYSA-N 1 1 348.403 0.990 20 5 ECBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938518 439580933 /nfs/dbraw/zinc/58/09/33/439580933.db2.gz CKHOHOSNAYVOLF-KBPBESRZSA-N 1 1 337.351 0.944 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc([N+](=O)[O-])c[nH]1 ZINC000609668199 439582725 /nfs/dbraw/zinc/58/27/25/439582725.db2.gz JLGFVBRAAKWWRE-GFCCVEGCSA-N 1 1 337.380 0.059 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])[nH]1 ZINC000609668383 439582860 /nfs/dbraw/zinc/58/28/60/439582860.db2.gz NSLPRVMTRMVAAF-LBPRGKRZSA-N 1 1 337.380 0.059 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594748978 439600455 /nfs/dbraw/zinc/60/04/55/439600455.db2.gz QTUDIDAPWBXTSR-QWRGUYRKSA-N 1 1 326.378 0.895 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000610262215 439606294 /nfs/dbraw/zinc/60/62/94/439606294.db2.gz PPBUORKWKPRFSD-WDEREUQCSA-N 1 1 326.378 0.895 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000610262214 439607363 /nfs/dbraw/zinc/60/73/63/439607363.db2.gz PPBUORKWKPRFSD-QWRGUYRKSA-N 1 1 326.378 0.895 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600100140 439613647 /nfs/dbraw/zinc/61/36/47/439613647.db2.gz UGWQBSMQINZOKO-LBPRGKRZSA-N 1 1 336.348 0.025 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000594800335 439615866 /nfs/dbraw/zinc/61/58/66/439615866.db2.gz CKWJBNHTRNHAKA-JTQLQIEISA-N 1 1 345.425 0.962 20 5 ECBDMO CC[N@@H+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1C ZINC000611084777 439672070 /nfs/dbraw/zinc/67/20/70/439672070.db2.gz SGNRBUHGTRHSMY-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)C[C@H]1C ZINC000611084777 439672072 /nfs/dbraw/zinc/67/20/72/439672072.db2.gz SGNRBUHGTRHSMY-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610906476 439656657 /nfs/dbraw/zinc/65/66/57/439656657.db2.gz HYCSMHOQCWYJBN-GXFFZTMASA-N 1 1 336.348 0.369 20 5 ECBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610906476 439656660 /nfs/dbraw/zinc/65/66/60/439656660.db2.gz HYCSMHOQCWYJBN-GXFFZTMASA-N 1 1 336.348 0.369 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000594846262 439628051 /nfs/dbraw/zinc/62/80/51/439628051.db2.gz GXFXEWJORFDQEF-UHFFFAOYSA-N 1 1 347.368 0.925 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106738 439673375 /nfs/dbraw/zinc/67/33/75/439673375.db2.gz FLFHGKHQPIXMOY-NXEZZACHSA-N 1 1 343.409 0.715 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000574713912 439723418 /nfs/dbraw/zinc/72/34/18/439723418.db2.gz RTNSLIBQMNOVKH-SNVBAGLBSA-N 1 1 347.368 0.733 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000574713912 439723423 /nfs/dbraw/zinc/72/34/23/439723423.db2.gz RTNSLIBQMNOVKH-SNVBAGLBSA-N 1 1 347.368 0.733 20 5 ECBDMO CC[N@H+](CC(=O)N(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612059071 439746286 /nfs/dbraw/zinc/74/62/86/439746286.db2.gz GQUJMFYTUZONEE-LBPRGKRZSA-N 1 1 325.365 0.745 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614894336 439789801 /nfs/dbraw/zinc/78/98/01/439789801.db2.gz APBJEMVQTCRWRZ-UHFFFAOYSA-N 1 1 339.396 0.405 20 5 ECBDMO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)N1CCOCC1 ZINC000330706910 320854027 /nfs/dbraw/zinc/85/40/27/320854027.db2.gz OYQOWQXWRVXCOP-LBPRGKRZSA-N 1 1 325.369 0.301 20 5 ECBDMO O=C(C[N@@H+]1[C@@H](CO)CC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000347324008 321236317 /nfs/dbraw/zinc/23/63/17/321236317.db2.gz UTONSIBAHQFAMJ-OKILXGFUSA-N 1 1 335.360 0.302 20 5 ECBDMO O=C(C[N@H+]1[C@@H](CO)CC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000347324008 321236319 /nfs/dbraw/zinc/23/63/19/321236319.db2.gz UTONSIBAHQFAMJ-OKILXGFUSA-N 1 1 335.360 0.302 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000184336823 528552221 /nfs/dbraw/zinc/55/22/21/528552221.db2.gz WBNYILXHSAEHPX-UHFFFAOYSA-N 1 1 335.357 0.326 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736146882 578411177 /nfs/dbraw/zinc/41/11/77/578411177.db2.gz KFVBHHWOYXMMMT-JTQLQIEISA-N 1 1 333.352 0.278 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736856034 578457940 /nfs/dbraw/zinc/45/79/40/578457940.db2.gz KJEHERNJIDIZIF-JTQLQIEISA-N 1 1 332.368 0.948 20 5 ECBDMO COC(=O)[C@]12C[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C[C@H]1COCC2 ZINC000794685118 578597924 /nfs/dbraw/zinc/59/79/24/578597924.db2.gz YCKZBMFKYZDJRL-SWLSCSKDSA-N 1 1 338.364 0.877 20 5 ECBDMO COC(=O)[C@]12C[N@@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C[C@H]1COCC2 ZINC000794685118 578597926 /nfs/dbraw/zinc/59/79/26/578597926.db2.gz YCKZBMFKYZDJRL-SWLSCSKDSA-N 1 1 338.364 0.877 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581782 579284728 /nfs/dbraw/zinc/28/47/28/579284728.db2.gz MBUSFOYTGQUQIS-GXTWGEPZSA-N 1 1 343.405 0.642 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581782 579284730 /nfs/dbraw/zinc/28/47/30/579284730.db2.gz MBUSFOYTGQUQIS-GXTWGEPZSA-N 1 1 343.405 0.642 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000837213873 588945784 /nfs/dbraw/zinc/94/57/84/588945784.db2.gz YUGNONCNULHGSO-UHFFFAOYSA-N 1 1 349.391 0.361 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841215589 588982864 /nfs/dbraw/zinc/98/28/64/588982864.db2.gz PIWMBSPILMWOCH-UHFFFAOYSA-N 1 1 336.682 0.897 20 5 ECBDMO CN1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888982593 586247333 /nfs/dbraw/zinc/24/73/33/586247333.db2.gz XXASSACFEYGNSK-HNNXBMFYSA-N 1 1 336.392 0.334 20 5 ECBDMO CN1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888982594 586247434 /nfs/dbraw/zinc/24/74/34/586247434.db2.gz XXASSACFEYGNSK-OAHLLOKOSA-N 1 1 336.392 0.334 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CCC[N@@H+](CCO)CC2)c2ccccc21 ZINC000892338249 586254483 /nfs/dbraw/zinc/25/44/83/586254483.db2.gz TVZGYIGPMWRHQW-UHFFFAOYSA-N 1 1 346.387 0.951 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C ZINC000896568996 586254634 /nfs/dbraw/zinc/25/46/34/586254634.db2.gz QYZZTXHPPOOONS-AAEUAGOBSA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@@H+]1C ZINC000896568996 586254636 /nfs/dbraw/zinc/25/46/36/586254636.db2.gz QYZZTXHPPOOONS-AAEUAGOBSA-N 1 1 338.412 0.240 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1CN(C)CC[N@H+]1C ZINC000896568996 586254637 /nfs/dbraw/zinc/25/46/37/586254637.db2.gz QYZZTXHPPOOONS-AAEUAGOBSA-N 1 1 338.412 0.240 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000896566920 586256476 /nfs/dbraw/zinc/25/64/76/586256476.db2.gz FGBYQBYOSFPDJO-ABAIWWIYSA-N 1 1 336.392 0.968 20 5 ECBDMO CN(CC[N@@H+](C)CCO)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC000894590920 586401762 /nfs/dbraw/zinc/40/17/62/586401762.db2.gz ILSWYTYLLZEKAW-UHFFFAOYSA-N 1 1 336.392 0.847 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000894956551 586420654 /nfs/dbraw/zinc/42/06/54/586420654.db2.gz AKMTWOWEYQYOMX-UHFFFAOYSA-N 1 1 344.375 0.748 20 5 ECBDMO COCC(COC)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000839802451 586911644 /nfs/dbraw/zinc/91/16/44/586911644.db2.gz VBKGSAVUMUKVDT-UHFFFAOYSA-N 1 1 331.413 0.628 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CCCCO)CC2)n1 ZINC000804501918 587086350 /nfs/dbraw/zinc/08/63/50/587086350.db2.gz HBAPLUCZVYKFDN-UHFFFAOYSA-N 1 1 338.364 0.671 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CC1 ZINC000816730699 587321383 /nfs/dbraw/zinc/32/13/83/587321383.db2.gz KZMGJRYCQWSTHW-UHFFFAOYSA-N 1 1 349.391 0.379 20 5 ECBDMO C[C@H]1COCCN1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820813432 587558068 /nfs/dbraw/zinc/55/80/68/587558068.db2.gz GURQFDBOQGFBNG-VIFPVBQESA-N 1 1 334.340 0.303 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846513895 589208670 /nfs/dbraw/zinc/20/86/70/589208670.db2.gz PVCCEDSOQPPRDP-CYBMUJFWSA-N 1 1 336.304 0.394 20 5 ECBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000846513895 589208671 /nfs/dbraw/zinc/20/86/71/589208671.db2.gz PVCCEDSOQPPRDP-CYBMUJFWSA-N 1 1 336.304 0.394 20 5 ECBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766957 589310206 /nfs/dbraw/zinc/31/02/06/589310206.db2.gz BWPIDYRGWMHDKP-UONOGXRCSA-N 1 1 346.387 0.742 20 5 ECBDMO NC(=O)[C@](O)(C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000851908343 589431871 /nfs/dbraw/zinc/43/18/71/589431871.db2.gz MIPAJOHUMIPBPX-KRWDZBQOSA-N 1 1 342.355 0.721 20 5 ECBDMO NC(=O)[C@](O)(C[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000851908343 589431873 /nfs/dbraw/zinc/43/18/73/589431873.db2.gz MIPAJOHUMIPBPX-KRWDZBQOSA-N 1 1 342.355 0.721 20 5 ECBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853965058 589566130 /nfs/dbraw/zinc/56/61/30/589566130.db2.gz DAORNXJRIJIRTE-AWEZNQCLSA-N 1 1 348.403 0.990 20 5 ECBDMO CN1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+](C)CC1 ZINC000888992435 591035602 /nfs/dbraw/zinc/03/56/02/591035602.db2.gz LDWPABHWZJKPLD-UHFFFAOYSA-N 1 1 338.412 0.232 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946589092 611356822 /nfs/dbraw/zinc/35/68/22/611356822.db2.gz FRDZNDVARYTFNF-LXTVHRRPSA-N 1 1 345.403 0.812 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946589092 611356823 /nfs/dbraw/zinc/35/68/23/611356823.db2.gz FRDZNDVARYTFNF-LXTVHRRPSA-N 1 1 345.403 0.812 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](Cc3ncccn3)C[C@H]2CC1 ZINC000946589092 611356824 /nfs/dbraw/zinc/35/68/24/611356824.db2.gz FRDZNDVARYTFNF-LXTVHRRPSA-N 1 1 345.403 0.812 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000930684129 611454187 /nfs/dbraw/zinc/45/41/87/611454187.db2.gz MTCRKJYNSZGVPA-UHFFFAOYSA-N 1 1 325.369 0.280 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)[C@H](CO)C1 ZINC000931405176 611537071 /nfs/dbraw/zinc/53/70/71/611537071.db2.gz HCQMPSHEASKPOD-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931405176 611537073 /nfs/dbraw/zinc/53/70/73/611537073.db2.gz HCQMPSHEASKPOD-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@H](CO)C1 ZINC000931405176 611537074 /nfs/dbraw/zinc/53/70/74/611537074.db2.gz HCQMPSHEASKPOD-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054853 609697319 /nfs/dbraw/zinc/69/73/19/609697319.db2.gz KNJDQDUPPAOCSF-NWDGAFQWSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054853 609697320 /nfs/dbraw/zinc/69/73/20/609697320.db2.gz KNJDQDUPPAOCSF-NWDGAFQWSA-N 1 1 325.369 0.612 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933675903 611740452 /nfs/dbraw/zinc/74/04/52/611740452.db2.gz QHEGVKZINFVLPE-DZGCQCFKSA-N 1 1 337.376 0.884 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933675903 611740454 /nfs/dbraw/zinc/74/04/54/611740454.db2.gz QHEGVKZINFVLPE-DZGCQCFKSA-N 1 1 337.376 0.884 20 5 ECBDMO CCOC(=O)c1ccnc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000471707704 719472969 /nfs/dbraw/zinc/47/29/69/719472969.db2.gz YQYJYTLZKOWCJE-VXGBXAGGSA-N 1 1 336.348 0.686 20 5 ECBDMO COc1nc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919850 721847373 /nfs/dbraw/zinc/84/73/73/721847373.db2.gz DJSRLMLEMGZCOQ-NWDGAFQWSA-N 1 1 336.396 0.608 20 5 ECBDMO COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919850 721847375 /nfs/dbraw/zinc/84/73/75/721847375.db2.gz DJSRLMLEMGZCOQ-NWDGAFQWSA-N 1 1 336.396 0.608 20 5 ECBDMO O=C(N[C@H]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000974115790 740958060 /nfs/dbraw/zinc/95/80/60/740958060.db2.gz ZFFPKKVRFGMADB-YVECIDJPSA-N 1 1 336.392 0.043 20 5 ECBDMO CC/C=C\CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235574 741527324 /nfs/dbraw/zinc/52/73/24/741527324.db2.gz JZSRVQJJKYPYKK-LPUOJRKPSA-N 1 1 348.407 0.773 20 5 ECBDMO Cc1nn[nH]c1C(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000996869752 742972034 /nfs/dbraw/zinc/97/20/34/742972034.db2.gz HOQMACAXZSGYNQ-UHFFFAOYSA-N 1 1 348.367 0.149 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001059229901 745270506 /nfs/dbraw/zinc/27/05/06/745270506.db2.gz WZISEHIOQMMJRT-XYPYZODXSA-N 1 1 346.347 0.960 20 5 ECBDMO COCC(=O)N1CCC(C[N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029924114 749644226 /nfs/dbraw/zinc/64/42/26/749644226.db2.gz GWNXEZRMARILBO-UHFFFAOYSA-N 1 1 339.396 0.645 20 5 ECBDMO COCC(=O)N1CCC(C[N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001029924114 749644229 /nfs/dbraw/zinc/64/42/29/749644229.db2.gz GWNXEZRMARILBO-UHFFFAOYSA-N 1 1 339.396 0.645 20 5 ECBDMO O=C(Cn1nccn1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981249348 750468894 /nfs/dbraw/zinc/46/88/94/750468894.db2.gz RFVACEWRDMGNLY-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(Cn1nccn1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000981249348 750468899 /nfs/dbraw/zinc/46/88/99/750468899.db2.gz RFVACEWRDMGNLY-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N1CCCc2ccccc21 ZINC001126939426 756808594 /nfs/dbraw/zinc/80/85/94/756808594.db2.gz XYRKMEYQIMPBJZ-UKRRQHHQSA-N 1 1 346.387 0.337 20 5 ECBDMO Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996430032 757659236 /nfs/dbraw/zinc/65/92/36/757659236.db2.gz YTSAWKIPATYXDB-HUUCEWRRSA-N 1 1 335.408 0.746 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(=O)[nH]c(C3CC3)n2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063726 758226824 /nfs/dbraw/zinc/22/68/24/758226824.db2.gz JBZPFKGYYSXTNO-LYIQGSDWSA-N 1 1 347.375 0.462 20 5 ECBDMO Cn1ccnc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048525057 760662402 /nfs/dbraw/zinc/66/24/02/760662402.db2.gz IVQIHWIVQVZIMP-XLWJZTARSA-N 1 1 347.419 0.945 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139846 772207137 /nfs/dbraw/zinc/20/71/37/772207137.db2.gz OFIVTSOBKSZZCM-YIKOMLBNSA-N 1 1 333.392 0.621 20 5 ECBDMO CC(=O)N1CC[NH+](CCCCCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001079161024 780837371 /nfs/dbraw/zinc/83/73/71/780837371.db2.gz RYVSICRYRXFGIG-ZIAGYGMSSA-N 1 1 326.397 0.102 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000246869138 243327142 /nfs/dbraw/zinc/32/71/42/243327142.db2.gz VXEWMHFXWXYVBO-ZJUUUORDSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000246869138 243327151 /nfs/dbraw/zinc/32/71/51/243327151.db2.gz VXEWMHFXWXYVBO-ZJUUUORDSA-N 1 1 325.369 0.164 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363759420 204087078 /nfs/dbraw/zinc/08/70/78/204087078.db2.gz VEOGUHKYVRHELM-STQMWFEESA-N 1 1 335.360 0.953 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155518819 206013532 /nfs/dbraw/zinc/01/35/32/206013532.db2.gz OKVWPHBKFHRCTQ-UHFFFAOYSA-N 1 1 331.394 0.592 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000155518819 206013537 /nfs/dbraw/zinc/01/35/37/206013537.db2.gz OKVWPHBKFHRCTQ-UHFFFAOYSA-N 1 1 331.394 0.592 20 5 ECBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000265109697 247211537 /nfs/dbraw/zinc/21/15/37/247211537.db2.gz KBTHFANANCJTFZ-CYBMUJFWSA-N 1 1 338.412 0.181 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266565741 248363153 /nfs/dbraw/zinc/36/31/53/248363153.db2.gz ZOYHNHZUWVKIDS-OUAUKWLOSA-N 1 1 338.286 0.540 20 5 ECBDMO NS(=O)(=O)CCN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174938543 207075047 /nfs/dbraw/zinc/07/50/47/207075047.db2.gz HGLDNCBKNIKMMT-UHFFFAOYSA-N 1 1 342.421 0.043 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000176137536 207194016 /nfs/dbraw/zinc/19/40/16/207194016.db2.gz NOBKENHNJFGCEV-BETUJISGSA-N 1 1 339.396 0.797 20 5 ECBDMO CCOc1cc(OC[C@H](O)C[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000414130403 208395623 /nfs/dbraw/zinc/39/56/23/208395623.db2.gz WWWHWVBTKBIDDA-CYBMUJFWSA-N 1 1 339.392 0.981 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419329389 209061828 /nfs/dbraw/zinc/06/18/28/209061828.db2.gz FCHWECZXXZEWEM-RYUDHWBXSA-N 1 1 336.392 0.581 20 5 ECBDMO COC[C@@]1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261873882 165256199 /nfs/dbraw/zinc/25/61/99/165256199.db2.gz LSIUDLGNHMLMMR-ZDUSSCGKSA-N 1 1 347.368 0.781 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331736554 296963796 /nfs/dbraw/zinc/96/37/96/296963796.db2.gz UBIMQBDCFQQKHO-GFCCVEGCSA-N 1 1 337.380 0.513 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272412226 263347540 /nfs/dbraw/zinc/34/75/40/263347540.db2.gz JCIUIWKAWDUYPY-LBPRGKRZSA-N 1 1 335.364 0.247 20 5 ECBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285495559 264318490 /nfs/dbraw/zinc/31/84/90/264318490.db2.gz PREDUQMWFNRZCG-LBPRGKRZSA-N 1 1 336.396 0.560 20 5 ECBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(CO)CC1 ZINC000285511287 264319356 /nfs/dbraw/zinc/31/93/56/264319356.db2.gz NNIGOGHRXJLCEX-UHFFFAOYSA-N 1 1 348.403 0.700 20 5 ECBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1(CO)CC1 ZINC000285511287 264319357 /nfs/dbraw/zinc/31/93/57/264319357.db2.gz NNIGOGHRXJLCEX-UHFFFAOYSA-N 1 1 348.403 0.700 20 5 ECBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[NH+](C)C ZINC000299190262 265347310 /nfs/dbraw/zinc/34/73/10/265347310.db2.gz MRBZQUWVMJDDMZ-VIFPVBQESA-N 1 1 329.378 0.678 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000264292819 277258581 /nfs/dbraw/zinc/25/85/81/277258581.db2.gz BQJJBCWUANVHTH-RYUDHWBXSA-N 1 1 336.392 0.846 20 5 ECBDMO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+]1CCOCC1 ZINC000414046806 288800622 /nfs/dbraw/zinc/80/06/22/288800622.db2.gz AMEXKXJRLWTFKE-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344603115 298041404 /nfs/dbraw/zinc/04/14/04/298041404.db2.gz QBVHEKOYAXAONF-RISCZKNCSA-N 1 1 334.376 0.924 20 5 ECBDMO CC[C@](C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O ZINC000351327455 298757305 /nfs/dbraw/zinc/75/73/05/298757305.db2.gz LOSRNZWEGKUHDP-AWEZNQCLSA-N 1 1 338.320 0.506 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]CCc2n[nH]c(C)n2)cc1[N+](=O)[O-] ZINC000353210399 299022632 /nfs/dbraw/zinc/02/26/32/299022632.db2.gz WIBHNFIIQWJIHP-UHFFFAOYSA-N 1 1 349.347 0.905 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]CCc2nnc(C)[nH]2)cc1[N+](=O)[O-] ZINC000353210399 299022637 /nfs/dbraw/zinc/02/26/37/299022637.db2.gz WIBHNFIIQWJIHP-UHFFFAOYSA-N 1 1 349.347 0.905 20 5 ECBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)CN3CCOCC3)C2)c1 ZINC000373584359 301068736 /nfs/dbraw/zinc/06/87/36/301068736.db2.gz LAGNBIVJCVEZEU-ZFWWWQNUSA-N 1 1 339.396 0.121 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000377923177 301391373 /nfs/dbraw/zinc/39/13/73/301391373.db2.gz YDHVSSVYHWAJBQ-ZDUSSCGKSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000377923177 301391374 /nfs/dbraw/zinc/39/13/74/301391374.db2.gz YDHVSSVYHWAJBQ-ZDUSSCGKSA-N 1 1 329.378 0.727 20 5 ECBDMO CCCn1nc2c(cc1=O)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000377960434 301396320 /nfs/dbraw/zinc/39/63/20/301396320.db2.gz LGBVBKVCLMYZNX-UHFFFAOYSA-N 1 1 332.364 0.816 20 5 ECBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ncc([N+](=O)[O-])c(N)n1 ZINC000076269820 436196657 /nfs/dbraw/zinc/19/66/57/436196657.db2.gz PIFGVWJYQOERMZ-SNVBAGLBSA-N 1 1 337.384 0.322 20 5 ECBDMO CC[N@H+](CC(=O)N(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000051768677 436496290 /nfs/dbraw/zinc/49/62/90/436496290.db2.gz XBYYXAMGJQTFHJ-CYBMUJFWSA-N 1 1 325.365 0.745 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000106815303 436601875 /nfs/dbraw/zinc/60/18/75/436601875.db2.gz RFSFHLZHIKASGV-GFCCVEGCSA-N 1 1 338.412 0.242 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000057553411 436613372 /nfs/dbraw/zinc/61/33/72/436613372.db2.gz CLIOQINIPPIBOE-GFCCVEGCSA-N 1 1 332.360 0.678 20 5 ECBDMO COC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000530665370 302022189 /nfs/dbraw/zinc/02/21/89/302022189.db2.gz DMCHPGYGGQNMGH-LBPRGKRZSA-N 1 1 326.353 0.835 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000117296537 436658056 /nfs/dbraw/zinc/65/80/56/436658056.db2.gz JIXJRWDYIVZCHE-NSHDSACASA-N 1 1 325.369 0.279 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@@H]1C ZINC000117296537 436658059 /nfs/dbraw/zinc/65/80/59/436658059.db2.gz JIXJRWDYIVZCHE-NSHDSACASA-N 1 1 325.369 0.279 20 5 ECBDMO C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000150726487 436687652 /nfs/dbraw/zinc/68/76/52/436687652.db2.gz DEYRAWCOPTVGND-GFCCVEGCSA-N 1 1 325.369 0.266 20 5 ECBDMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272178813 436707292 /nfs/dbraw/zinc/70/72/92/436707292.db2.gz HUTLIGJLBJVPFY-UHFFFAOYSA-N 1 1 337.332 0.776 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387192 436712085 /nfs/dbraw/zinc/71/20/85/436712085.db2.gz KUPPXPOPGAPEGC-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000067387192 436712087 /nfs/dbraw/zinc/71/20/87/436712087.db2.gz KUPPXPOPGAPEGC-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO C[N@@H+](CCO)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000273716095 436780126 /nfs/dbraw/zinc/78/01/26/436780126.db2.gz FZBWQCATEOAFCB-UHFFFAOYSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCC[C@H](C)C1 ZINC000126234879 436783996 /nfs/dbraw/zinc/78/39/96/436783996.db2.gz ITBJARPKCWUNIX-STQMWFEESA-N 1 1 336.392 0.993 20 5 ECBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000126686333 436789851 /nfs/dbraw/zinc/78/98/51/436789851.db2.gz WCPYJTOAWCCSNZ-JQWIXIFHSA-N 1 1 325.369 0.362 20 5 ECBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126686333 436789854 /nfs/dbraw/zinc/78/98/54/436789854.db2.gz WCPYJTOAWCCSNZ-JQWIXIFHSA-N 1 1 325.369 0.362 20 5 ECBDMO C[C@H](C(N)=O)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274035162 436793533 /nfs/dbraw/zinc/79/35/33/436793533.db2.gz MWFNXBIFTJXZPP-SNVBAGLBSA-N 1 1 332.364 0.857 20 5 ECBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438521 436801650 /nfs/dbraw/zinc/80/16/50/436801650.db2.gz BYCGSGGSJHLJCP-JHJVBQTASA-N 1 1 337.376 0.920 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000274533151 436839622 /nfs/dbraw/zinc/83/96/22/436839622.db2.gz JEPITGBVRILRQD-UHFFFAOYSA-N 1 1 339.348 0.410 20 5 ECBDMO C[C@](O)(CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000255475643 436853396 /nfs/dbraw/zinc/85/33/96/436853396.db2.gz SYQBKZNFZMXVDQ-IMXKFXGHSA-N 1 1 349.387 0.807 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000274422816 436825749 /nfs/dbraw/zinc/82/57/49/436825749.db2.gz QUEGHJCBOPWPEX-UHFFFAOYSA-N 1 1 347.393 0.196 20 5 ECBDMO CCOCCO[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000157646892 436831989 /nfs/dbraw/zinc/83/19/89/436831989.db2.gz XTCXBTDBCNTZCH-KGLIPLIRSA-N 1 1 328.369 0.280 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000157944407 436835779 /nfs/dbraw/zinc/83/57/79/436835779.db2.gz LEEKRKMVILTSOP-SWLSCSKDSA-N 1 1 336.392 0.866 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000157944407 436835782 /nfs/dbraw/zinc/83/57/82/436835782.db2.gz LEEKRKMVILTSOP-SWLSCSKDSA-N 1 1 336.392 0.866 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280724139 436916734 /nfs/dbraw/zinc/91/67/34/436916734.db2.gz IDZNKBXETHJAIR-BBRMVZONSA-N 1 1 337.376 0.793 20 5 ECBDMO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000161410700 436890182 /nfs/dbraw/zinc/89/01/82/436890182.db2.gz CKGJIJMNXBITOG-GFCCVEGCSA-N 1 1 335.357 0.325 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000296120587 436984743 /nfs/dbraw/zinc/98/47/43/436984743.db2.gz HROGDZMUFZAYSP-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296120587 436984746 /nfs/dbraw/zinc/98/47/46/436984746.db2.gz HROGDZMUFZAYSP-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCC[NH+]2CCN(CC)CC2)c1[N+](=O)[O-] ZINC000263948809 437007225 /nfs/dbraw/zinc/00/72/25/437007225.db2.gz WRCAJRIMHXBREG-UHFFFAOYSA-N 1 1 338.412 0.638 20 5 ECBDMO CCOC(=O)[C@@H](CC)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263516 437080678 /nfs/dbraw/zinc/08/06/78/437080678.db2.gz PESHMBPOWIJYGY-UONOGXRCSA-N 1 1 340.380 0.958 20 5 ECBDMO CCOC(=O)[C@@H](CC)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263516 437080683 /nfs/dbraw/zinc/08/06/83/437080683.db2.gz PESHMBPOWIJYGY-UONOGXRCSA-N 1 1 340.380 0.958 20 5 ECBDMO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264771603 437081342 /nfs/dbraw/zinc/08/13/42/437081342.db2.gz QBYJQVXZXJCMBH-ZDUSSCGKSA-N 1 1 337.336 0.479 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000264771603 437081344 /nfs/dbraw/zinc/08/13/44/437081344.db2.gz QBYJQVXZXJCMBH-ZDUSSCGKSA-N 1 1 337.336 0.479 20 5 ECBDMO CCN(C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O ZINC000174854982 437089581 /nfs/dbraw/zinc/08/95/81/437089581.db2.gz CDQQSPBFSNPZOA-UHFFFAOYSA-N 1 1 345.425 0.537 20 5 ECBDMO C[N@@H+](CCN1CCOCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264824471 437090697 /nfs/dbraw/zinc/09/06/97/437090697.db2.gz FDDQORHVIIFIGK-OAHLLOKOSA-N 1 1 339.392 0.599 20 5 ECBDMO Cn1nccc1[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414551 437091942 /nfs/dbraw/zinc/09/19/42/437091942.db2.gz BZKDVMPAHYSMIM-JSGCOSHPSA-N 1 1 334.380 0.765 20 5 ECBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3nn(C)cc3[N+](=O)[O-])CC2)c1 ZINC000332423948 437221265 /nfs/dbraw/zinc/22/12/65/437221265.db2.gz SMNWYHOEUJVESI-UHFFFAOYSA-N 1 1 330.348 0.994 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2ccc([N+](=O)[O-])n2)CCCO1 ZINC000278379738 437308995 /nfs/dbraw/zinc/30/89/95/437308995.db2.gz CHUGVGHVOBQONR-GFCCVEGCSA-N 1 1 325.369 0.408 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cccc([N+](=O)[O-])c2N)cn1 ZINC000181411305 437319744 /nfs/dbraw/zinc/31/97/44/437319744.db2.gz ZFPYJMALCOKGPM-ZDUSSCGKSA-N 1 1 330.348 0.697 20 5 ECBDMO O=c1nc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH][nH]1 ZINC000289423026 437409091 /nfs/dbraw/zinc/40/90/91/437409091.db2.gz MXWBWMTXUWJKTC-JTQLQIEISA-N 1 1 334.336 0.048 20 5 ECBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C(N)=O)O1 ZINC000268471946 437421745 /nfs/dbraw/zinc/42/17/45/437421745.db2.gz QCMHCOCBIZRCTI-ZWNOBZJWSA-N 1 1 336.348 0.498 20 5 ECBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C(N)=O)O1 ZINC000268471946 437421749 /nfs/dbraw/zinc/42/17/49/437421749.db2.gz QCMHCOCBIZRCTI-ZWNOBZJWSA-N 1 1 336.348 0.498 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000279228839 437386523 /nfs/dbraw/zinc/38/65/23/437386523.db2.gz QUTSTVWIYBVDFO-BETUJISGSA-N 1 1 342.359 0.809 20 5 ECBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000184174372 437399745 /nfs/dbraw/zinc/39/97/45/437399745.db2.gz PNJSYYRITCVCQL-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339045184 437437657 /nfs/dbraw/zinc/43/76/57/437437657.db2.gz VQQPHWDZXFSGKR-LLVKDONJSA-N 1 1 343.409 0.668 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339045184 437437661 /nfs/dbraw/zinc/43/76/61/437437661.db2.gz VQQPHWDZXFSGKR-LLVKDONJSA-N 1 1 343.409 0.668 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339047898 437438276 /nfs/dbraw/zinc/43/82/76/437438276.db2.gz HMSRPOTYSHELKJ-JTQLQIEISA-N 1 1 343.409 0.574 20 5 ECBDMO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289881819 437446371 /nfs/dbraw/zinc/44/63/71/437446371.db2.gz RJJWNBFXRMODFK-VIFPVBQESA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000289881819 437446376 /nfs/dbraw/zinc/44/63/76/437446376.db2.gz RJJWNBFXRMODFK-VIFPVBQESA-N 1 1 331.756 0.862 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000330460439 437517763 /nfs/dbraw/zinc/51/77/63/437517763.db2.gz VOQQQYZQWLBKNR-WDEREUQCSA-N 1 1 345.425 0.914 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@@H](C)CO)CC2)n1 ZINC000343205463 437534615 /nfs/dbraw/zinc/53/46/15/437534615.db2.gz MESKGBGANWZSIX-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO COc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000343217901 437537787 /nfs/dbraw/zinc/53/77/87/437537787.db2.gz AYIMXXPRIMTEFV-AWEZNQCLSA-N 1 1 334.376 0.610 20 5 ECBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCN1CCCOCC1 ZINC000189102069 437583132 /nfs/dbraw/zinc/58/31/32/437583132.db2.gz OBDHJCJWJGXJHV-UHFFFAOYSA-N 1 1 347.368 0.735 20 5 ECBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000360746958 437644557 /nfs/dbraw/zinc/64/45/57/437644557.db2.gz QRSQYMVXEFSIPW-NSHDSACASA-N 1 1 325.369 0.295 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000331107851 437690591 /nfs/dbraw/zinc/69/05/91/437690591.db2.gz JNMYTLRVTVPYRU-SNVBAGLBSA-N 1 1 343.330 0.941 20 5 ECBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)[N@H+]1C ZINC000292770917 437720470 /nfs/dbraw/zinc/72/04/70/437720470.db2.gz LBFYAUSPSOTRPY-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@H](C)[N@@H+]1C ZINC000292770917 437720474 /nfs/dbraw/zinc/72/04/74/437720474.db2.gz LBFYAUSPSOTRPY-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364922634 437825497 /nfs/dbraw/zinc/82/54/97/437825497.db2.gz OEYOGDPGTDRVHD-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)C1 ZINC000363218772 437775167 /nfs/dbraw/zinc/77/51/67/437775167.db2.gz LVXBLKNTRLVPID-GFCCVEGCSA-N 1 1 349.391 0.547 20 5 ECBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347647792 437923825 /nfs/dbraw/zinc/92/38/25/437923825.db2.gz PLRMQZYWFJOVEX-CQSZACIVSA-N 1 1 336.392 0.995 20 5 ECBDMO C[NH+]1CCN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341746706 437895184 /nfs/dbraw/zinc/89/51/84/437895184.db2.gz AUHOYPHYGUNIPG-UHFFFAOYSA-N 1 1 335.364 0.168 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307624 438050174 /nfs/dbraw/zinc/05/01/74/438050174.db2.gz DUZQQACRQMEPSY-GHMZBOCLSA-N 1 1 346.343 0.518 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635461 438105732 /nfs/dbraw/zinc/10/57/32/438105732.db2.gz HESXHFZMFSXURV-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635461 438105734 /nfs/dbraw/zinc/10/57/34/438105734.db2.gz HESXHFZMFSXURV-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368100442 438288880 /nfs/dbraw/zinc/28/88/80/438288880.db2.gz QFDLRKWFOBWNQU-FZMZJTMJSA-N 1 1 332.360 0.991 20 5 ECBDMO Cn1c(=O)cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1=O ZINC000375390263 438251253 /nfs/dbraw/zinc/25/12/53/438251253.db2.gz IMHAOLDGGFEJRV-LLVKDONJSA-N 1 1 348.363 0.026 20 5 ECBDMO Cn1c(=O)cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1=O ZINC000375390263 438251257 /nfs/dbraw/zinc/25/12/57/438251257.db2.gz IMHAOLDGGFEJRV-LLVKDONJSA-N 1 1 348.363 0.026 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377654980 438319958 /nfs/dbraw/zinc/31/99/58/438319958.db2.gz PJZWNZAKBFNHFZ-ZYHUDNBSSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377654980 438319964 /nfs/dbraw/zinc/31/99/64/438319964.db2.gz PJZWNZAKBFNHFZ-ZYHUDNBSSA-N 1 1 348.359 0.610 20 5 ECBDMO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000377673270 438321849 /nfs/dbraw/zinc/32/18/49/438321849.db2.gz XBRXBNXPJYOWAW-ZIAGYGMSSA-N 1 1 333.392 0.457 20 5 ECBDMO C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419130999 438337274 /nfs/dbraw/zinc/33/72/74/438337274.db2.gz BTSXVQNVANXFGA-MRVPVSSYSA-N 1 1 330.291 0.482 20 5 ECBDMO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007370 438410365 /nfs/dbraw/zinc/41/03/65/438410365.db2.gz HWCPNZMDIOJIDK-OLZOCXBDSA-N 1 1 339.396 0.969 20 5 ECBDMO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007370 438410371 /nfs/dbraw/zinc/41/03/71/438410371.db2.gz HWCPNZMDIOJIDK-OLZOCXBDSA-N 1 1 339.396 0.969 20 5 ECBDMO C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000420602627 438412907 /nfs/dbraw/zinc/41/29/07/438412907.db2.gz BODKOWKMTDVESO-NSHDSACASA-N 1 1 336.392 0.975 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000420972721 438454225 /nfs/dbraw/zinc/45/42/25/438454225.db2.gz LCIXVWVFZFFSOL-GFCCVEGCSA-N 1 1 343.405 0.841 20 5 ECBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000353562546 438511052 /nfs/dbraw/zinc/51/10/52/438511052.db2.gz VROHUEWCJCYIGP-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000353562546 438511054 /nfs/dbraw/zinc/51/10/54/438511054.db2.gz VROHUEWCJCYIGP-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000370066562 438547472 /nfs/dbraw/zinc/54/74/72/438547472.db2.gz TYRSRPNWUGPWAC-UHFFFAOYSA-N 1 1 338.412 0.590 20 5 ECBDMO NC(=O)NC(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504579 438554320 /nfs/dbraw/zinc/55/43/20/438554320.db2.gz MHYYEZCTZKXETP-SNVBAGLBSA-N 1 1 336.352 0.451 20 5 ECBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408376173 438563812 /nfs/dbraw/zinc/56/38/12/438563812.db2.gz VWHBOWBYUQWBJE-AWEZNQCLSA-N 1 1 348.407 0.345 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423556219 438687348 /nfs/dbraw/zinc/68/73/48/438687348.db2.gz YQAWYAAAAKEDNQ-UHFFFAOYSA-N 1 1 344.318 0.755 20 5 ECBDMO Nc1nc(NCC2([NH+]3CCOCC3)CCOCC2)ncc1[N+](=O)[O-] ZINC000413411808 438692981 /nfs/dbraw/zinc/69/29/81/438692981.db2.gz WNZNZLFHFJHREZ-UHFFFAOYSA-N 1 1 338.368 0.260 20 5 ECBDMO CNc1nc(C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000455633837 438751177 /nfs/dbraw/zinc/75/11/77/438751177.db2.gz DAPJYZHGRTYAMR-UHFFFAOYSA-N 1 1 333.352 0.761 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457092187 438792874 /nfs/dbraw/zinc/79/28/74/438792874.db2.gz GHXUEUAABAPNJH-SNVBAGLBSA-N 1 1 337.332 0.462 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457092187 438792879 /nfs/dbraw/zinc/79/28/79/438792879.db2.gz GHXUEUAABAPNJH-SNVBAGLBSA-N 1 1 337.332 0.462 20 5 ECBDMO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000588002812 438813782 /nfs/dbraw/zinc/81/37/82/438813782.db2.gz PFUWVCFYGUKCLG-ZANVPECISA-N 1 1 333.348 1.375 20 5 ECBDMO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000588002812 438813787 /nfs/dbraw/zinc/81/37/87/438813787.db2.gz PFUWVCFYGUKCLG-ZANVPECISA-N 1 1 333.348 1.375 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860517 438843229 /nfs/dbraw/zinc/84/32/29/438843229.db2.gz GRYZIXIVESCJFA-KBPBESRZSA-N 1 1 335.360 0.641 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595744032 438854687 /nfs/dbraw/zinc/85/46/87/438854687.db2.gz UNXBMTJKZSYDGP-ZFWWWQNUSA-N 1 1 326.349 0.682 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC(CO)(CO)C1 ZINC000595804758 438865926 /nfs/dbraw/zinc/86/59/26/438865926.db2.gz CYDNOGZZNSGXHK-LBPRGKRZSA-N 1 1 326.349 0.011 20 5 ECBDMO NC(=O)c1ccnc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000589559072 438878175 /nfs/dbraw/zinc/87/81/75/438878175.db2.gz MUGGOZMOBRBAEA-GFCCVEGCSA-N 1 1 349.391 0.780 20 5 ECBDMO CCOc1ccc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)nn1 ZINC000595893970 438879088 /nfs/dbraw/zinc/87/90/88/438879088.db2.gz ZOZINLASPISDBC-UHFFFAOYSA-N 1 1 347.379 0.802 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000596091549 438924621 /nfs/dbraw/zinc/92/46/21/438924621.db2.gz NHBCTADJQRNBPA-SNVBAGLBSA-N 1 1 326.378 0.891 20 5 ECBDMO C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000596167004 438935111 /nfs/dbraw/zinc/93/51/11/438935111.db2.gz ASMSQTMJGAVDJN-CABZTGNLSA-N 1 1 344.393 0.373 20 5 ECBDMO C[C@H](Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000596167004 438935115 /nfs/dbraw/zinc/93/51/15/438935115.db2.gz ASMSQTMJGAVDJN-CABZTGNLSA-N 1 1 344.393 0.373 20 5 ECBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537166 438974151 /nfs/dbraw/zinc/97/41/51/438974151.db2.gz BNHPJGPBTJSMPX-GFCCVEGCSA-N 1 1 334.376 0.729 20 5 ECBDMO COC(=O)[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+](C)C1 ZINC000591189339 438988848 /nfs/dbraw/zinc/98/88/48/438988848.db2.gz JNCVMAHRXNFRSK-LLVKDONJSA-N 1 1 338.364 0.210 20 5 ECBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000459833802 439011791 /nfs/dbraw/zinc/01/17/91/439011791.db2.gz VJNRQFCPSDZCBD-OCCSQVGLSA-N 1 1 339.348 0.935 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597991812 439209078 /nfs/dbraw/zinc/20/90/78/439209078.db2.gz SFTUXRJRSBLPCS-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489912732 439245914 /nfs/dbraw/zinc/24/59/14/439245914.db2.gz GPDPCOSBNWWUJE-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598452533 439264361 /nfs/dbraw/zinc/26/43/61/439264361.db2.gz LMORGUBKUVNKQH-GFCCVEGCSA-N 1 1 336.348 0.367 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1Cc2ccccc2C1 ZINC000604530823 439318366 /nfs/dbraw/zinc/31/83/66/439318366.db2.gz UPXBRLBXKUIQLI-UHFFFAOYSA-N 1 1 342.355 0.889 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598896426 439324283 /nfs/dbraw/zinc/32/42/83/439324283.db2.gz IKKFXMZFLNIFNK-LBPRGKRZSA-N 1 1 335.364 0.927 20 5 ECBDMO NS(=O)(=O)c1c([N+](=O)[O-])cccc1N1CC[NH+](CC2CC2)CC1 ZINC000603931516 439294456 /nfs/dbraw/zinc/29/44/56/439294456.db2.gz YQHNHMPJGSEURE-UHFFFAOYSA-N 1 1 340.405 0.774 20 5 ECBDMO NS(=O)(=O)c1cccc(N2CC[NH+](CCCF)CC2)c1[N+](=O)[O-] ZINC000599094676 439355156 /nfs/dbraw/zinc/35/51/56/439355156.db2.gz XRELCTFWTPAWAW-UHFFFAOYSA-N 1 1 346.384 0.724 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000599103556 439358131 /nfs/dbraw/zinc/35/81/31/439358131.db2.gz XBXZUQMASSPAEK-SECBINFHSA-N 1 1 329.382 0.281 20 5 ECBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593320586 439366876 /nfs/dbraw/zinc/36/68/76/439366876.db2.gz RYNGEOOLJMMUAX-OAHLLOKOSA-N 1 1 334.376 0.598 20 5 ECBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593320586 439366880 /nfs/dbraw/zinc/36/68/80/439366880.db2.gz RYNGEOOLJMMUAX-OAHLLOKOSA-N 1 1 334.376 0.598 20 5 ECBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCOCCOC)CC1 ZINC000593518090 439390924 /nfs/dbraw/zinc/39/09/24/439390924.db2.gz ORANQLHXPZIMBY-UHFFFAOYSA-N 1 1 341.412 0.905 20 5 ECBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599247626 439399403 /nfs/dbraw/zinc/39/94/03/439399403.db2.gz GKTAYEGELBQTPV-LLVKDONJSA-N 1 1 345.425 0.823 20 5 ECBDMO O=C([C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000593724982 439455041 /nfs/dbraw/zinc/45/50/41/439455041.db2.gz DEWBKCKTIINNRH-CYBMUJFWSA-N 1 1 348.403 0.944 20 5 ECBDMO O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000594027998 439509602 /nfs/dbraw/zinc/50/96/02/439509602.db2.gz YNYMQSUTOCWYIQ-LSDHHAIUSA-N 1 1 346.387 0.235 20 5 ECBDMO CNc1nccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000594289990 439534723 /nfs/dbraw/zinc/53/47/23/439534723.db2.gz FQJPNJDRVPZWJM-CHWSQXEVSA-N 1 1 349.391 0.703 20 5 ECBDMO Nc1nccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000594291520 439535136 /nfs/dbraw/zinc/53/51/36/439535136.db2.gz IIUHPEHXRVXZEN-VXGBXAGGSA-N 1 1 335.364 0.243 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939520 439581541 /nfs/dbraw/zinc/58/15/41/439581541.db2.gz WGZOUHXANGXFSU-GHMZBOCLSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939520 439581546 /nfs/dbraw/zinc/58/15/46/439581546.db2.gz WGZOUHXANGXFSU-GHMZBOCLSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939520 439581551 /nfs/dbraw/zinc/58/15/51/439581551.db2.gz WGZOUHXANGXFSU-GHMZBOCLSA-N 1 1 337.380 0.722 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753763 439602711 /nfs/dbraw/zinc/60/27/11/439602711.db2.gz MXGNOBIABNKWBM-NSHDSACASA-N 1 1 328.394 0.952 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000610260681 439607143 /nfs/dbraw/zinc/60/71/43/439607143.db2.gz GIKXBVRUXFKGMC-SNVBAGLBSA-N 1 1 326.378 0.752 20 5 ECBDMO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610906477 439655472 /nfs/dbraw/zinc/65/54/72/439655472.db2.gz HYCSMHOQCWYJBN-MFKMUULPSA-N 1 1 336.348 0.369 20 5 ECBDMO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906477 439655475 /nfs/dbraw/zinc/65/54/75/439655475.db2.gz HYCSMHOQCWYJBN-MFKMUULPSA-N 1 1 336.348 0.369 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000573754611 439664179 /nfs/dbraw/zinc/66/41/79/439664179.db2.gz IGHAWFMDQHUPPK-DOMZBBRYSA-N 1 1 337.376 0.907 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[NH+](CCCO)CC3)cc2n(C)c1=O ZINC000587617160 439667285 /nfs/dbraw/zinc/66/72/85/439667285.db2.gz FWYVLLNLZXRSPY-UHFFFAOYSA-N 1 1 349.391 0.290 20 5 ECBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572439 439707343 /nfs/dbraw/zinc/70/73/43/439707343.db2.gz ARWMPDDJICBGRY-NEPJUHHUSA-N 1 1 336.396 0.956 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188070 321268937 /nfs/dbraw/zinc/26/89/37/321268937.db2.gz JZBBCMBSVBFPSD-ZUZCIYMTSA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000348188070 321268939 /nfs/dbraw/zinc/26/89/39/321268939.db2.gz JZBBCMBSVBFPSD-ZUZCIYMTSA-N 1 1 336.348 0.152 20 5 ECBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873529 546376428 /nfs/dbraw/zinc/37/64/28/546376428.db2.gz KMCDHWCJQWCKPC-AWEZNQCLSA-N 1 1 347.419 0.903 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000619874040 546376598 /nfs/dbraw/zinc/37/65/98/546376598.db2.gz WZIYCUKMHBSMQS-NSHDSACASA-N 1 1 336.396 0.390 20 5 ECBDMO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1C ZINC000754079852 579412356 /nfs/dbraw/zinc/41/23/56/579412356.db2.gz OEIKGOAGCQHNPZ-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H]1C ZINC000754079852 579412358 /nfs/dbraw/zinc/41/23/58/579412358.db2.gz OEIKGOAGCQHNPZ-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO CC(C)(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)n1cc([N+](=O)[O-])cn1 ZINC000726531579 578142980 /nfs/dbraw/zinc/14/29/80/578142980.db2.gz LXCUHJQPSKKFCD-AAEUAGOBSA-N 1 1 337.380 0.506 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736864124 578458844 /nfs/dbraw/zinc/45/88/44/578458844.db2.gz PITRCLXGZCJZPE-LLVKDONJSA-N 1 1 332.368 0.433 20 5 ECBDMO COCC[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000737002415 578471770 /nfs/dbraw/zinc/47/17/70/578471770.db2.gz APKMFNJMAKYMDJ-JTQLQIEISA-N 1 1 348.367 0.327 20 5 ECBDMO C[N@@H+](CCCO)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000799363405 578664041 /nfs/dbraw/zinc/66/40/41/578664041.db2.gz BZUMGDILEHOTEJ-UHFFFAOYSA-N 1 1 336.392 0.558 20 5 ECBDMO O=C(CC[N@@H+]1C[C@H](O)C[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000782503337 578727001 /nfs/dbraw/zinc/72/70/01/578727001.db2.gz JTRWGMWSEQKPOO-PHIMTYICSA-N 1 1 327.312 0.490 20 5 ECBDMO C[C@@H]1CCC[N@H+]1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000773198731 579222547 /nfs/dbraw/zinc/22/25/47/579222547.db2.gz OUTCCBKPGSMQAO-GFCCVEGCSA-N 1 1 334.376 0.925 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773530399 579228744 /nfs/dbraw/zinc/22/87/44/579228744.db2.gz LFBZWRBKYYBDQG-AWEZNQCLSA-N 1 1 349.347 0.623 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000762714744 579546556 /nfs/dbraw/zinc/54/65/56/579546556.db2.gz CWBMDXUNSWRRJL-GOEBONIOSA-N 1 1 348.359 0.271 20 5 ECBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[N@H+](CCO)CC1 ZINC000738359397 579623934 /nfs/dbraw/zinc/62/39/34/579623934.db2.gz QVPMFQUKACOAMI-UHFFFAOYSA-N 1 1 333.352 0.279 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000837921878 588965434 /nfs/dbraw/zinc/96/54/34/588965434.db2.gz AWFBGHMSZJHPEG-LBPRGKRZSA-N 1 1 329.397 0.918 20 5 ECBDMO COc1cc(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567064 586256840 /nfs/dbraw/zinc/25/68/40/586256840.db2.gz YVPURGRNZJBBEA-BXUZGUMPSA-N 1 1 336.392 0.968 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000022897680 586303786 /nfs/dbraw/zinc/30/37/86/586303786.db2.gz BWNYVZXKAWUKIG-UHFFFAOYSA-N 1 1 340.767 0.928 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c2ccccc21 ZINC000894431931 586394047 /nfs/dbraw/zinc/39/40/47/586394047.db2.gz KGHBUUZQKJINRF-NWDGAFQWSA-N 1 1 344.371 0.702 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060668 587094854 /nfs/dbraw/zinc/09/48/54/587094854.db2.gz OIRJQJOPYWHEHD-HOCLYGCPSA-N 1 1 348.359 0.687 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060668 587094856 /nfs/dbraw/zinc/09/48/56/587094856.db2.gz OIRJQJOPYWHEHD-HOCLYGCPSA-N 1 1 348.359 0.687 20 5 ECBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000817515578 587342931 /nfs/dbraw/zinc/34/29/31/587342931.db2.gz OKBZBQOGLUREJJ-UHFFFAOYSA-N 1 1 334.376 0.891 20 5 ECBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC000821629069 587609312 /nfs/dbraw/zinc/60/93/12/587609312.db2.gz XVDWLLWSUVPUHB-QWHCGFSZSA-N 1 1 331.336 0.294 20 5 ECBDMO CNc1c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000825291708 587929434 /nfs/dbraw/zinc/92/94/34/587929434.db2.gz ASOZIMMOBWXWFV-UHFFFAOYSA-N 1 1 349.391 0.483 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827840154 588143287 /nfs/dbraw/zinc/14/32/87/588143287.db2.gz IHJHJOFVLRCXNR-CQSZACIVSA-N 1 1 337.376 0.543 20 5 ECBDMO CNc1nccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406508 589245778 /nfs/dbraw/zinc/24/57/78/589245778.db2.gz CQSIKZBCGPCLMZ-MNOVXSKESA-N 1 1 335.364 0.625 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000109067172 589356732 /nfs/dbraw/zinc/35/67/32/589356732.db2.gz NNSDECDEPLOKDF-NXEZZACHSA-N 1 1 329.378 0.974 20 5 ECBDMO COC(=O)N(C)CC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000852569150 589501103 /nfs/dbraw/zinc/50/11/03/589501103.db2.gz GEAIQLSBOODZJC-GFCCVEGCSA-N 1 1 341.364 0.965 20 5 ECBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000854568473 589593461 /nfs/dbraw/zinc/59/34/61/589593461.db2.gz AXBMAYWHVKGJCD-LLVKDONJSA-N 1 1 349.391 0.897 20 5 ECBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC(C[NH+]2CCOCC2)C1 ZINC000854589997 589594295 /nfs/dbraw/zinc/59/42/95/589594295.db2.gz LPZAKELRTVHAIT-HNNXBMFYSA-N 1 1 335.360 0.419 20 5 ECBDMO C[NH+]1CCN(CC2CN(c3nc4ccccn4c3[N+](=O)[O-])C2)CC1 ZINC000858610904 589759766 /nfs/dbraw/zinc/75/97/66/589759766.db2.gz IXWSQNQUIVWOHC-UHFFFAOYSA-N 1 1 330.392 0.926 20 5 ECBDMO O=C(C[N@@H+]1CCC[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000118401062 589869935 /nfs/dbraw/zinc/86/99/35/589869935.db2.gz CNJRSBBRZSGZBW-INIZCTEOSA-N 1 1 348.403 0.700 20 5 ECBDMO Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000868236264 589883580 /nfs/dbraw/zinc/88/35/80/589883580.db2.gz POCGTNMCMLYLFY-CQSZACIVSA-N 1 1 335.408 0.948 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000119080762 589966692 /nfs/dbraw/zinc/96/66/92/589966692.db2.gz JKPFCGGORUXBHG-ZANVPECISA-N 1 1 338.320 0.952 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119080762 589966694 /nfs/dbraw/zinc/96/66/94/589966694.db2.gz JKPFCGGORUXBHG-ZANVPECISA-N 1 1 338.320 0.952 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000863830613 590041044 /nfs/dbraw/zinc/04/10/44/590041044.db2.gz VTUBKWXLMVVQCD-AWEZNQCLSA-N 1 1 348.403 0.991 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946589180 611356623 /nfs/dbraw/zinc/35/66/23/611356623.db2.gz KTGPJYTVRBENSA-LXTVHRRPSA-N 1 1 348.407 0.114 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946589180 611356624 /nfs/dbraw/zinc/35/66/24/611356624.db2.gz KTGPJYTVRBENSA-LXTVHRRPSA-N 1 1 348.407 0.114 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCn3cncn3)C[C@H]2CC1 ZINC000946589180 611356625 /nfs/dbraw/zinc/35/66/25/611356625.db2.gz KTGPJYTVRBENSA-LXTVHRRPSA-N 1 1 348.407 0.114 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000073841872 611391220 /nfs/dbraw/zinc/39/12/20/611391220.db2.gz TUJXRVNFUYWOHH-UHFFFAOYSA-N 1 1 349.391 0.463 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000920023122 609671578 /nfs/dbraw/zinc/67/15/78/609671578.db2.gz XSHYRJPYOXHKJL-RISCZKNCSA-N 1 1 342.421 0.507 20 5 ECBDMO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000920023122 609671579 /nfs/dbraw/zinc/67/15/79/609671579.db2.gz XSHYRJPYOXHKJL-RISCZKNCSA-N 1 1 342.421 0.507 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053530 609697302 /nfs/dbraw/zinc/69/73/02/609697302.db2.gz AZCKXYUSFUEBCM-RYUDHWBXSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2cc([N+](=O)[O-])cn2)C1 ZINC000921053530 609697304 /nfs/dbraw/zinc/69/73/04/609697304.db2.gz AZCKXYUSFUEBCM-RYUDHWBXSA-N 1 1 325.369 0.612 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000913557170 609777132 /nfs/dbraw/zinc/77/71/32/609777132.db2.gz VJWSPPMGVLXOCF-HNNXBMFYSA-N 1 1 336.392 0.922 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000913557170 609777135 /nfs/dbraw/zinc/77/71/35/609777135.db2.gz VJWSPPMGVLXOCF-HNNXBMFYSA-N 1 1 336.392 0.922 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC001167680455 737711787 /nfs/dbraw/zinc/71/17/87/737711787.db2.gz FVUHQVQJPKPJDH-OAHLLOKOSA-N 1 1 349.387 0.629 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cn1 ZINC001111492855 738191678 /nfs/dbraw/zinc/19/16/78/738191678.db2.gz SYPJBKFRSDDHJN-UHFFFAOYSA-N 1 1 339.396 0.564 20 5 ECBDMO COc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983656360 745005670 /nfs/dbraw/zinc/00/56/70/745005670.db2.gz AVHWBASELGPBRT-FPQZTECRSA-N 1 1 335.364 0.135 20 5 ECBDMO O=C(NC1(C2CC[NH+](CCn3cccn3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000149302 745293807 /nfs/dbraw/zinc/29/38/07/745293807.db2.gz KKYHGTRDNMKGCF-HUUCEWRRSA-N 1 1 347.419 0.909 20 5 ECBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029989210 750398265 /nfs/dbraw/zinc/39/82/65/750398265.db2.gz QKKCOMLICSEGGC-UHFFFAOYSA-N 1 1 334.376 0.751 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020934206 752359934 /nfs/dbraw/zinc/35/99/34/752359934.db2.gz PTSBAEZKHOXNIS-HAQNSBGRSA-N 1 1 348.407 0.161 20 5 ECBDMO O=C(NCC[NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126936601 756764409 /nfs/dbraw/zinc/76/44/09/756764409.db2.gz MNPKHCZBPHXBDR-HTQZYQBOSA-N 1 1 331.266 0.274 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCCCc1ccccc1 ZINC001126942733 756907218 /nfs/dbraw/zinc/90/72/18/756907218.db2.gz FYRSDXGPOFSRRN-HUUCEWRRSA-N 1 1 348.403 0.106 20 5 ECBDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)ncn1 ZINC001048814494 757083010 /nfs/dbraw/zinc/08/30/10/757083010.db2.gz OGAZEAUQZLNKHN-AYRXBEOTSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)ncn1 ZINC001048814494 757083013 /nfs/dbraw/zinc/08/30/13/757083013.db2.gz OGAZEAUQZLNKHN-AYRXBEOTSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1cc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)ncn1 ZINC001048814494 757083020 /nfs/dbraw/zinc/08/30/20/757083020.db2.gz OGAZEAUQZLNKHN-AYRXBEOTSA-N 1 1 331.376 0.340 20 5 ECBDMO COc1ccnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814492 757083709 /nfs/dbraw/zinc/08/37/09/757083709.db2.gz OFXVMKZCVFVWSS-NOXHYTERSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1ccnc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814492 757083712 /nfs/dbraw/zinc/08/37/12/757083712.db2.gz OFXVMKZCVFVWSS-NOXHYTERSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1ccnc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814492 757083714 /nfs/dbraw/zinc/08/37/14/757083714.db2.gz OFXVMKZCVFVWSS-NOXHYTERSA-N 1 1 346.387 0.646 20 5 ECBDMO CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC000996429967 757658936 /nfs/dbraw/zinc/65/89/36/757658936.db2.gz XMSHJGKKHGNEKE-ZIAGYGMSSA-N 1 1 336.396 0.605 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCn1cncn1)CC2 ZINC001040700692 783297029 /nfs/dbraw/zinc/29/70/29/783297029.db2.gz PDTFVGADHSYLGM-ZIAGYGMSSA-N 1 1 348.407 0.258 20 5 ECBDMO COc1cc(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)ccn1 ZINC001072721118 788647982 /nfs/dbraw/zinc/64/79/82/788647982.db2.gz FBBMMMYLKMDFAD-ZIAGYGMSSA-N 1 1 346.387 0.790 20 5 ECBDMO CCC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073012771 789273003 /nfs/dbraw/zinc/27/30/03/789273003.db2.gz CNDNXHLMIHGJJI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CCC[N@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073012771 789273006 /nfs/dbraw/zinc/27/30/06/789273006.db2.gz CNDNXHLMIHGJJI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CCC[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073012771 789273015 /nfs/dbraw/zinc/27/30/15/789273015.db2.gz CNDNXHLMIHGJJI-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CCOC)CC2)n1 ZINC000427816686 210220828 /nfs/dbraw/zinc/22/08/28/210220828.db2.gz CKCUMPNTCRRBMM-UHFFFAOYSA-N 1 1 325.369 0.606 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000186820080 236032320 /nfs/dbraw/zinc/03/23/20/236032320.db2.gz PPIUXGZLIBUHEI-LLVKDONJSA-N 1 1 325.369 0.015 20 5 ECBDMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079648358 201207170 /nfs/dbraw/zinc/20/71/70/201207170.db2.gz IVPWOTLOGCMOIE-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079648358 201207173 /nfs/dbraw/zinc/20/71/73/201207173.db2.gz IVPWOTLOGCMOIE-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109093993 204277826 /nfs/dbraw/zinc/27/78/26/204277826.db2.gz ZLFOBBKZTXEIJC-ZDUSSCGKSA-N 1 1 330.348 1.000 20 5 ECBDMO CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266500212 248332924 /nfs/dbraw/zinc/33/29/24/248332924.db2.gz RXMZCDFKGTWPRG-KOLCDFICSA-N 1 1 325.369 0.544 20 5 ECBDMO CC[C@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266500212 248332926 /nfs/dbraw/zinc/33/29/26/248332926.db2.gz RXMZCDFKGTWPRG-KOLCDFICSA-N 1 1 325.369 0.544 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000266565739 248362983 /nfs/dbraw/zinc/36/29/83/248362983.db2.gz ZOYHNHZUWVKIDS-GMTAPVOTSA-N 1 1 338.286 0.540 20 5 ECBDMO COCC[N@H+](Cc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266587219 248372498 /nfs/dbraw/zinc/37/24/98/248372498.db2.gz NLMPVWVQAXCZLN-HNNXBMFYSA-N 1 1 335.364 0.696 20 5 ECBDMO Cn1cc(C[NH2+]Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)n(C)c1=O ZINC000446850991 211161044 /nfs/dbraw/zinc/16/10/44/211161044.db2.gz GGRVDNMWRWFBJU-UHFFFAOYSA-N 1 1 344.331 0.158 20 5 ECBDMO C[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH+](C)CC1 ZINC000444636243 211089109 /nfs/dbraw/zinc/08/91/09/211089109.db2.gz MZQPDLBBEYRCED-LLVKDONJSA-N 1 1 346.391 0.723 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000174289523 207008325 /nfs/dbraw/zinc/00/83/25/207008325.db2.gz VXEWMHFXWXYVBO-NXEZZACHSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000174289523 207008328 /nfs/dbraw/zinc/00/83/28/207008328.db2.gz VXEWMHFXWXYVBO-NXEZZACHSA-N 1 1 325.369 0.164 20 5 ECBDMO CC(=O)N1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268687906 252139407 /nfs/dbraw/zinc/13/94/07/252139407.db2.gz OCUAAUJQMJOBBZ-WFASDCNBSA-N 1 1 337.376 0.887 20 5 ECBDMO CC(=O)N1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000268687906 252139411 /nfs/dbraw/zinc/13/94/11/252139411.db2.gz OCUAAUJQMJOBBZ-WFASDCNBSA-N 1 1 337.376 0.887 20 5 ECBDMO CC[N@H+]1CC[C@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006559 208384885 /nfs/dbraw/zinc/38/48/85/208384885.db2.gz QIORJXTUOVZSOH-AAEUAGOBSA-N 1 1 334.376 0.924 20 5 ECBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428789529 210283408 /nfs/dbraw/zinc/28/34/08/210283408.db2.gz ZBFOLXFEEWCWQR-ZDUSSCGKSA-N 1 1 343.405 0.939 20 5 ECBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000495870663 255051359 /nfs/dbraw/zinc/05/13/59/255051359.db2.gz VHTAPBULLWUWMU-OLZOCXBDSA-N 1 1 341.368 0.315 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000046448361 164548026 /nfs/dbraw/zinc/54/80/26/164548026.db2.gz GTWNXFPSHQXJCD-UHFFFAOYSA-N 1 1 334.376 0.464 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000261964844 165271151 /nfs/dbraw/zinc/27/11/51/165271151.db2.gz AYEHVSOLEFYKLT-ZDUSSCGKSA-N 1 1 348.407 0.298 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNCC1 ZINC000261964844 165271155 /nfs/dbraw/zinc/27/11/55/165271155.db2.gz AYEHVSOLEFYKLT-ZDUSSCGKSA-N 1 1 348.407 0.298 20 5 ECBDMO CNc1cc2c(nn1)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000610336538 421221603 /nfs/dbraw/zinc/22/16/03/421221603.db2.gz ZGOJGQJWBQPCJQ-LBPRGKRZSA-N 1 1 333.352 0.042 20 5 ECBDMO CNc1cc2c(nn1)CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000610336538 421221604 /nfs/dbraw/zinc/22/16/04/421221604.db2.gz ZGOJGQJWBQPCJQ-LBPRGKRZSA-N 1 1 333.352 0.042 20 5 ECBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193620189 263167522 /nfs/dbraw/zinc/16/75/22/263167522.db2.gz MSWOTZXDLQAZJN-UHFFFAOYSA-N 1 1 338.412 0.276 20 5 ECBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000193620189 263167523 /nfs/dbraw/zinc/16/75/23/263167523.db2.gz MSWOTZXDLQAZJN-UHFFFAOYSA-N 1 1 338.412 0.276 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273075643 263392369 /nfs/dbraw/zinc/39/23/69/263392369.db2.gz GHACMGSLXCYSSC-ZWNOBZJWSA-N 1 1 342.302 0.754 20 5 ECBDMO NS(=O)(=O)c1cccc(NCC[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000273481565 263409642 /nfs/dbraw/zinc/40/96/42/263409642.db2.gz MPFJTDAGTLKJSV-UHFFFAOYSA-N 1 1 346.434 0.703 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827231 264242797 /nfs/dbraw/zinc/24/27/97/264242797.db2.gz AVADOXCKENEMRL-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827231 264242798 /nfs/dbraw/zinc/24/27/98/264242798.db2.gz AVADOXCKENEMRL-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000284827231 264242800 /nfs/dbraw/zinc/24/28/00/264242800.db2.gz AVADOXCKENEMRL-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO C[NH+](C)[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1O ZINC000292257897 264781696 /nfs/dbraw/zinc/78/16/96/264781696.db2.gz HTUNFXLQBQFBQF-IUCAKERBSA-N 1 1 335.407 0.171 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000264475643 281016948 /nfs/dbraw/zinc/01/69/48/281016948.db2.gz HCEVAOQXODDABB-AWEZNQCLSA-N 1 1 334.376 0.973 20 5 ECBDMO CC[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103968 297002305 /nfs/dbraw/zinc/00/23/05/297002305.db2.gz DUFBUIIUPXKMHL-LBPRGKRZSA-N 1 1 336.396 0.478 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)[N@@H+](C)C1 ZINC000332426030 297039640 /nfs/dbraw/zinc/03/96/40/297039640.db2.gz UIRLNCFREKPJPX-HOTGVXAUSA-N 1 1 348.403 0.963 20 5 ECBDMO O=C(C[NH+]1CCC(OCCO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000339778744 297384163 /nfs/dbraw/zinc/38/41/63/297384163.db2.gz FFXQLFHEWGNOMH-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000339843693 297396155 /nfs/dbraw/zinc/39/61/55/297396155.db2.gz WNSZSHQAQBHDQV-SNVBAGLBSA-N 1 1 342.377 0.286 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346644103 298310813 /nfs/dbraw/zinc/31/08/13/298310813.db2.gz LRECZWHOHDGXDD-ZCDTZLGTSA-N 1 1 349.387 0.920 20 5 ECBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361333290 300083217 /nfs/dbraw/zinc/08/32/17/300083217.db2.gz AXEABLORTFTVTD-KWCYVHTRSA-N 1 1 335.360 0.687 20 5 ECBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)C2)CC1 ZINC000363869554 300301592 /nfs/dbraw/zinc/30/15/92/300301592.db2.gz RISWRALBVJBVFF-NSHDSACASA-N 1 1 348.407 0.470 20 5 ECBDMO C[NH+]1CCN(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000070921721 435994554 /nfs/dbraw/zinc/99/45/54/435994554.db2.gz NUVOSFYSKYTYLN-UHFFFAOYSA-N 1 1 347.419 0.491 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000376494227 301267348 /nfs/dbraw/zinc/26/73/48/301267348.db2.gz DGCMDCSLKAQTIF-HUUCEWRRSA-N 1 1 334.376 0.969 20 5 ECBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000076495859 436209115 /nfs/dbraw/zinc/20/91/15/436209115.db2.gz PIEWWDUWRNWJOZ-ZDUSSCGKSA-N 1 1 344.375 0.919 20 5 ECBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000076495859 436209118 /nfs/dbraw/zinc/20/91/18/436209118.db2.gz PIEWWDUWRNWJOZ-ZDUSSCGKSA-N 1 1 344.375 0.919 20 5 ECBDMO CC(C)C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000044695641 436344699 /nfs/dbraw/zinc/34/46/99/436344699.db2.gz QGWFDGNGZCTXGI-ZDUSSCGKSA-N 1 1 339.396 0.654 20 5 ECBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083245356 436369917 /nfs/dbraw/zinc/36/99/17/436369917.db2.gz HLCWTLFMQMYPOP-HNNXBMFYSA-N 1 1 339.392 0.599 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000049725829 436471127 /nfs/dbraw/zinc/47/11/27/436471127.db2.gz YCIOOKPHGQOLPB-NSHDSACASA-N 1 1 336.348 0.566 20 5 ECBDMO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052588083 436511417 /nfs/dbraw/zinc/51/14/17/436511417.db2.gz CRJIYDKVVVCLBG-SDDRHHMPSA-N 1 1 325.369 0.405 20 5 ECBDMO C[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000052588083 436511420 /nfs/dbraw/zinc/51/14/20/436511420.db2.gz CRJIYDKVVVCLBG-SDDRHHMPSA-N 1 1 325.369 0.405 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000053836014 436541746 /nfs/dbraw/zinc/54/17/46/436541746.db2.gz KQZMSPYYBHWDGC-CYBMUJFWSA-N 1 1 330.348 0.702 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000053836014 436541753 /nfs/dbraw/zinc/54/17/53/436541753.db2.gz KQZMSPYYBHWDGC-CYBMUJFWSA-N 1 1 330.348 0.702 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000532145236 302071196 /nfs/dbraw/zinc/07/11/96/302071196.db2.gz GMFSBXDLAKBADA-HNNXBMFYSA-N 1 1 335.408 0.992 20 5 ECBDMO C[N@@H+](CCC(=O)OC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000150880432 436691745 /nfs/dbraw/zinc/69/17/45/436691745.db2.gz JWYUEWWJSSYZHC-GFCCVEGCSA-N 1 1 328.369 0.816 20 5 ECBDMO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(-c2nc[nH]n2)no1 ZINC000120803776 436697645 /nfs/dbraw/zinc/69/76/45/436697645.db2.gz SDGSTOWTBRWGDT-JTQLQIEISA-N 1 1 347.339 0.946 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711340 436719921 /nfs/dbraw/zinc/71/99/21/436719921.db2.gz VZLYDKHUZLLSOF-VIFPVBQESA-N 1 1 326.378 0.891 20 5 ECBDMO NS(=O)(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068455411 436744922 /nfs/dbraw/zinc/74/49/22/436744922.db2.gz HMONGIPNUFXIHJ-UHFFFAOYSA-N 1 1 328.394 0.395 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155921063 436806927 /nfs/dbraw/zinc/80/69/27/436806927.db2.gz GFGUJQZKKVEELT-AWEZNQCLSA-N 1 1 343.405 0.987 20 5 ECBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000156742372 436821349 /nfs/dbraw/zinc/82/13/49/436821349.db2.gz RZQXQYZNMBIJNV-LBPRGKRZSA-N 1 1 334.376 0.994 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000159994240 436865168 /nfs/dbraw/zinc/86/51/68/436865168.db2.gz DUBAEXULLIUEJA-UHFFFAOYSA-N 1 1 335.357 0.590 20 5 ECBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000134179392 436891469 /nfs/dbraw/zinc/89/14/69/436891469.db2.gz JXWNVFYAVJAMJV-GFCCVEGCSA-N 1 1 339.396 0.611 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000162606271 436911429 /nfs/dbraw/zinc/91/14/29/436911429.db2.gz SNURYBWVCPSVGF-JSGCOSHPSA-N 1 1 335.368 0.156 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000173427819 437049399 /nfs/dbraw/zinc/04/93/99/437049399.db2.gz KPFHLGFEISFILQ-UHFFFAOYSA-N 1 1 337.423 0.903 20 5 ECBDMO NS(=O)(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463427 437052437 /nfs/dbraw/zinc/05/24/37/437052437.db2.gz JJBPUJAKKNPXJS-SNVBAGLBSA-N 1 1 329.382 0.155 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CCCO ZINC000264614014 437054516 /nfs/dbraw/zinc/05/45/16/437054516.db2.gz LGABOVFUWHBWPZ-UHFFFAOYSA-N 1 1 327.337 0.219 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CCCO ZINC000264614014 437054519 /nfs/dbraw/zinc/05/45/19/437054519.db2.gz LGABOVFUWHBWPZ-UHFFFAOYSA-N 1 1 327.337 0.219 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299278005 437065890 /nfs/dbraw/zinc/06/58/90/437065890.db2.gz LILMWDCOFSXCSK-AWEZNQCLSA-N 1 1 334.376 0.925 20 5 ECBDMO C[C@H](O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000276209907 437073273 /nfs/dbraw/zinc/07/32/73/437073273.db2.gz OYFUGYLNBVVHKT-OBJOEFQTSA-N 1 1 328.365 0.398 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264485518 437036979 /nfs/dbraw/zinc/03/69/79/437036979.db2.gz INRCSGBVIZUGHT-AWEZNQCLSA-N 1 1 334.376 0.593 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264501306 437037550 /nfs/dbraw/zinc/03/75/50/437037550.db2.gz KHXNDPIUZVAEAH-JTQLQIEISA-N 1 1 326.378 0.726 20 5 ECBDMO CN(CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334079 437158028 /nfs/dbraw/zinc/15/80/28/437158028.db2.gz WDVVCWAITOXZJI-DZGCQCFKSA-N 1 1 325.413 0.958 20 5 ECBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304334079 437158030 /nfs/dbraw/zinc/15/80/30/437158030.db2.gz WDVVCWAITOXZJI-DZGCQCFKSA-N 1 1 325.413 0.958 20 5 ECBDMO C[C@@](O)(CNc1ccc2ncc([N+](=O)[O-])n2n1)C[NH+]1CCOCC1 ZINC000302005749 437136554 /nfs/dbraw/zinc/13/65/54/437136554.db2.gz SYTITHLKSXFHCW-CQSZACIVSA-N 1 1 336.352 0.133 20 5 ECBDMO COC(=O)c1cc(C)nc(NC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000287507782 437197104 /nfs/dbraw/zinc/19/71/04/437197104.db2.gz UUMRTTGPVZRWND-LLVKDONJSA-N 1 1 337.380 0.743 20 5 ECBDMO COC(=O)c1cc(C)nc(NC[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000287507782 437197105 /nfs/dbraw/zinc/19/71/05/437197105.db2.gz UUMRTTGPVZRWND-LLVKDONJSA-N 1 1 337.380 0.743 20 5 ECBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000277153343 437197421 /nfs/dbraw/zinc/19/74/21/437197421.db2.gz RPNPJZJOOQAYSO-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO COC(=O)c1cc(C)nc(NC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000287507787 437198338 /nfs/dbraw/zinc/19/83/38/437198338.db2.gz UUMRTTGPVZRWND-NSHDSACASA-N 1 1 337.380 0.743 20 5 ECBDMO COC(=O)c1cc(C)nc(NC[C@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000287507787 437198341 /nfs/dbraw/zinc/19/83/41/437198341.db2.gz UUMRTTGPVZRWND-NSHDSACASA-N 1 1 337.380 0.743 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179504511 437266999 /nfs/dbraw/zinc/26/69/99/437266999.db2.gz IHTLJMFHQFVPNY-LLVKDONJSA-N 1 1 325.369 0.415 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000181337081 437318168 /nfs/dbraw/zinc/31/81/68/437318168.db2.gz SZXKANCZUQDMNO-ZDUSSCGKSA-N 1 1 333.352 0.088 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000181381068 437318598 /nfs/dbraw/zinc/31/85/98/437318598.db2.gz KWNDWAMMNXGOTP-AWEZNQCLSA-N 1 1 330.348 0.697 20 5 ECBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334001251 437293614 /nfs/dbraw/zinc/29/36/14/437293614.db2.gz HRCVEBIGPNKFES-RYUDHWBXSA-N 1 1 334.376 0.876 20 5 ECBDMO O=C1C[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751762 437341628 /nfs/dbraw/zinc/34/16/28/437341628.db2.gz AYFIZSWOMBSYHP-LRDDRELGSA-N 1 1 335.360 0.547 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+](C)CCN(C)C ZINC000288750827 437350690 /nfs/dbraw/zinc/35/06/90/437350690.db2.gz QSZVCBIYSWECLP-UHFFFAOYSA-N 1 1 326.401 0.099 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN(C)CC[NH+](C)C ZINC000288750827 437350692 /nfs/dbraw/zinc/35/06/92/437350692.db2.gz QSZVCBIYSWECLP-UHFFFAOYSA-N 1 1 326.401 0.099 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186950380 437487630 /nfs/dbraw/zinc/48/76/30/437487630.db2.gz FGOZECXOCMCGEM-NSHDSACASA-N 1 1 325.369 0.095 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000290600155 437505235 /nfs/dbraw/zinc/50/52/35/437505235.db2.gz JJGOCLKBNPBXSG-UHFFFAOYSA-N 1 1 338.408 0.973 20 5 ECBDMO CN(CCCNC(=O)COc1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000290600155 437505237 /nfs/dbraw/zinc/50/52/37/437505237.db2.gz JJGOCLKBNPBXSG-UHFFFAOYSA-N 1 1 338.408 0.973 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188462029 437548943 /nfs/dbraw/zinc/54/89/43/437548943.db2.gz GWOGCAGTRLIVBE-HNNXBMFYSA-N 1 1 335.360 0.905 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188462029 437548948 /nfs/dbraw/zinc/54/89/48/437548948.db2.gz GWOGCAGTRLIVBE-HNNXBMFYSA-N 1 1 335.360 0.905 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1CC(C)(C)O ZINC000188633056 437559176 /nfs/dbraw/zinc/55/91/76/437559176.db2.gz LGDPJNIDYPKRDS-LLVKDONJSA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330686801 437588742 /nfs/dbraw/zinc/58/87/42/437588742.db2.gz MWYCYNPOYQTAGO-NEPJUHHUSA-N 1 1 339.396 0.440 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330686801 437588744 /nfs/dbraw/zinc/58/87/44/437588744.db2.gz MWYCYNPOYQTAGO-NEPJUHHUSA-N 1 1 339.396 0.440 20 5 ECBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292088115 437658248 /nfs/dbraw/zinc/65/82/48/437658248.db2.gz FGAFEPIIKONEBK-LBPRGKRZSA-N 1 1 343.405 0.939 20 5 ECBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292088115 437658254 /nfs/dbraw/zinc/65/82/54/437658254.db2.gz FGAFEPIIKONEBK-LBPRGKRZSA-N 1 1 343.405 0.939 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000361556056 437671827 /nfs/dbraw/zinc/67/18/27/437671827.db2.gz DZQGGQZHPPVMSG-MJBXVCDLSA-N 1 1 340.376 0.806 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000340947850 437762738 /nfs/dbraw/zinc/76/27/38/437762738.db2.gz DQMJMTIPAZPYPT-NSHDSACASA-N 1 1 325.369 0.363 20 5 ECBDMO C[NH+](C)CCCOc1cnccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000356482668 437770776 /nfs/dbraw/zinc/77/07/76/437770776.db2.gz SJFKIRNDOBJHID-UHFFFAOYSA-N 1 1 348.363 0.973 20 5 ECBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000356739716 437821899 /nfs/dbraw/zinc/82/18/99/437821899.db2.gz OUJRDJCPNALNAL-MNOVXSKESA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1C[C@@H](C)O ZINC000356739716 437821904 /nfs/dbraw/zinc/82/19/04/437821904.db2.gz OUJRDJCPNALNAL-MNOVXSKESA-N 1 1 325.369 0.246 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)CCN(C)C)n1 ZINC000356525082 437778344 /nfs/dbraw/zinc/77/83/44/437778344.db2.gz NREUZLYDUVTGRY-UHFFFAOYSA-N 1 1 326.401 0.425 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCN(C)CC[NH+](C)C)n1 ZINC000356525082 437778346 /nfs/dbraw/zinc/77/83/46/437778346.db2.gz NREUZLYDUVTGRY-UHFFFAOYSA-N 1 1 326.401 0.425 20 5 ECBDMO COC(=O)c1cnc(N2CCC[N@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000365341777 437897657 /nfs/dbraw/zinc/89/76/57/437897657.db2.gz FGDPETWEZCLFTP-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357053563 437897741 /nfs/dbraw/zinc/89/77/41/437897741.db2.gz SQXHQLLPNLOGDU-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357053563 437897745 /nfs/dbraw/zinc/89/77/45/437897745.db2.gz SQXHQLLPNLOGDU-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000416291696 437907012 /nfs/dbraw/zinc/90/70/12/437907012.db2.gz HXGGWVZAXOSGMX-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)C1 ZINC000365670548 437946916 /nfs/dbraw/zinc/94/69/16/437946916.db2.gz UHZIXQRAMRSVEP-CYBMUJFWSA-N 1 1 349.391 0.547 20 5 ECBDMO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570638 437957301 /nfs/dbraw/zinc/95/73/01/437957301.db2.gz DOPJUTAXOCEBQH-STQMWFEESA-N 1 1 326.353 0.570 20 5 ECBDMO COC(=O)[C@@H]1CCCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570638 437957305 /nfs/dbraw/zinc/95/73/05/437957305.db2.gz DOPJUTAXOCEBQH-STQMWFEESA-N 1 1 326.353 0.570 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000366104823 438017306 /nfs/dbraw/zinc/01/73/06/438017306.db2.gz RUTPABAKBZPEQB-LBPRGKRZSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)n1 ZINC000366104823 438017310 /nfs/dbraw/zinc/01/73/10/438017310.db2.gz RUTPABAKBZPEQB-LBPRGKRZSA-N 1 1 343.409 0.291 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000366307461 438050819 /nfs/dbraw/zinc/05/08/19/438050819.db2.gz HJZRPEHUWKVMCO-ZIAGYGMSSA-N 1 1 333.344 0.958 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000342349870 438007186 /nfs/dbraw/zinc/00/71/86/438007186.db2.gz BPVDTLFOGYFNMP-NSHDSACASA-N 1 1 338.364 0.986 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000342349870 438007191 /nfs/dbraw/zinc/00/71/91/438007191.db2.gz BPVDTLFOGYFNMP-NSHDSACASA-N 1 1 338.364 0.986 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000372330217 438069234 /nfs/dbraw/zinc/06/92/34/438069234.db2.gz KGCDGNVWCFIULS-CYBMUJFWSA-N 1 1 336.396 0.202 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000373352710 438146603 /nfs/dbraw/zinc/14/66/03/438146603.db2.gz FTADUZCOZCGOID-LLVKDONJSA-N 1 1 349.391 0.897 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358093346 438150026 /nfs/dbraw/zinc/15/00/26/438150026.db2.gz MNNDCDIXYGBBPF-HNNXBMFYSA-N 1 1 336.348 0.025 20 5 ECBDMO Nc1nccc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000366986763 438150520 /nfs/dbraw/zinc/15/05/20/438150520.db2.gz GALWCVZVRXDGJH-GFCCVEGCSA-N 1 1 344.375 1.008 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CCCO1 ZINC000432549271 438202297 /nfs/dbraw/zinc/20/22/97/438202297.db2.gz IVNVCIKLFSLWOL-LLVKDONJSA-N 1 1 325.369 0.559 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]12 ZINC000368073457 438284227 /nfs/dbraw/zinc/28/42/27/438284227.db2.gz ZYAWYDNVDXHFGH-AGIUHOORSA-N 1 1 335.360 0.402 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476535 438299979 /nfs/dbraw/zinc/29/99/79/438299979.db2.gz JOYQZGWSBLPNPH-VXGBXAGGSA-N 1 1 340.405 0.911 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476535 438299983 /nfs/dbraw/zinc/29/99/83/438299983.db2.gz JOYQZGWSBLPNPH-VXGBXAGGSA-N 1 1 340.405 0.911 20 5 ECBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369130428 438426735 /nfs/dbraw/zinc/42/67/35/438426735.db2.gz NSHXFLGTLMIRPW-JSGCOSHPSA-N 1 1 340.380 0.422 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@]1(CO)CCOC1 ZINC000359843005 438508027 /nfs/dbraw/zinc/50/80/27/438508027.db2.gz QUHGKEVWKAZEDB-DZGCQCFKSA-N 1 1 326.349 0.418 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000441991166 438595539 /nfs/dbraw/zinc/59/55/39/438595539.db2.gz LCTPJURYIVXWBD-JTQLQIEISA-N 1 1 348.359 0.895 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452395688 438660884 /nfs/dbraw/zinc/66/08/84/438660884.db2.gz XAJKIKGFXUYEHT-GFCCVEGCSA-N 1 1 325.369 0.144 20 5 ECBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1CCCO)n1cc([N+](=O)[O-])cn1 ZINC000452773852 438672877 /nfs/dbraw/zinc/67/28/77/438672877.db2.gz BSSVTDKZCCWRFV-GFCCVEGCSA-N 1 1 339.396 0.489 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451637214 438702759 /nfs/dbraw/zinc/70/27/59/438702759.db2.gz WLXRXBBFPIEVDJ-FXAINCCUSA-N 1 1 332.316 0.126 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451637214 438702762 /nfs/dbraw/zinc/70/27/62/438702762.db2.gz WLXRXBBFPIEVDJ-FXAINCCUSA-N 1 1 332.316 0.126 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452386374 438658487 /nfs/dbraw/zinc/65/84/87/438658487.db2.gz FNVGOOPKONOXKS-JTQLQIEISA-N 1 1 325.369 0.457 20 5 ECBDMO CNc1nc(C(=O)NCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000454352496 438715299 /nfs/dbraw/zinc/71/52/99/438715299.db2.gz VYDXHFTXZMZSGC-UHFFFAOYSA-N 1 1 336.396 0.399 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000494810988 438710108 /nfs/dbraw/zinc/71/01/08/438710108.db2.gz USHKMFTWWVAYPI-CQSZACIVSA-N 1 1 333.348 0.898 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nnc2n1CCC2 ZINC000576220587 438773518 /nfs/dbraw/zinc/77/35/18/438773518.db2.gz WVOHPLRYTQEYNY-LLVKDONJSA-N 1 1 333.348 0.662 20 5 ECBDMO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H]1C[N@H+](C)CCO1 ZINC000588002810 438814728 /nfs/dbraw/zinc/81/47/28/438814728.db2.gz PFUWVCFYGUKCLG-RNCFNFMXSA-N 1 1 333.348 1.375 20 5 ECBDMO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000588002810 438814735 /nfs/dbraw/zinc/81/47/35/438814735.db2.gz PFUWVCFYGUKCLG-RNCFNFMXSA-N 1 1 333.348 1.375 20 5 ECBDMO NS(=O)(=O)c1cccc(N[C@@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000588067612 438816693 /nfs/dbraw/zinc/81/66/93/438816693.db2.gz CGXNPEKNFMACHU-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000457756710 438827317 /nfs/dbraw/zinc/82/73/17/438827317.db2.gz YAODHITWZYHQQA-UHFFFAOYSA-N 1 1 348.359 0.529 20 5 ECBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000577290717 438831475 /nfs/dbraw/zinc/83/14/75/438831475.db2.gz VQMJWPDAHNCACR-ZDUSSCGKSA-N 1 1 333.392 0.980 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608414 438834442 /nfs/dbraw/zinc/83/44/42/438834442.db2.gz PGPQHHXDPDWIKS-UONOGXRCSA-N 1 1 347.375 0.948 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCO[C@H]2C(=O)OC)c1 ZINC000595658297 438841444 /nfs/dbraw/zinc/84/14/44/438841444.db2.gz FCZGYOXLHMWVIV-WCQYABFASA-N 1 1 338.316 0.802 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861924 438847112 /nfs/dbraw/zinc/84/71/12/438847112.db2.gz YNWXNFAVEHXEEL-WDEREUQCSA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861924 438847119 /nfs/dbraw/zinc/84/71/19/438847119.db2.gz YNWXNFAVEHXEEL-WDEREUQCSA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861924 438847120 /nfs/dbraw/zinc/84/71/20/438847120.db2.gz YNWXNFAVEHXEEL-WDEREUQCSA-N 1 1 337.380 0.552 20 5 ECBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595823963 438866904 /nfs/dbraw/zinc/86/69/04/438866904.db2.gz WEZGPNXKCNXSPU-GFCCVEGCSA-N 1 1 337.380 0.444 20 5 ECBDMO O=C1CCCN1C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833129 438867656 /nfs/dbraw/zinc/86/76/56/438867656.db2.gz RZQGDUWHLVFGTI-OCCSQVGLSA-N 1 1 337.380 0.097 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000590564014 438932210 /nfs/dbraw/zinc/93/22/10/438932210.db2.gz BSXKNDJKDYPTGY-OLZOCXBDSA-N 1 1 337.380 0.421 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518288320 438993648 /nfs/dbraw/zinc/99/36/48/438993648.db2.gz DVOKRKHZFFRSEA-UHFFFAOYSA-N 1 1 325.321 0.632 20 5 ECBDMO O=[N+]([O-])c1cnc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc1 ZINC000596422840 438960462 /nfs/dbraw/zinc/96/04/62/438960462.db2.gz HPKBAFNFUQMOIM-HNNXBMFYSA-N 1 1 329.360 1.564 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518887374 439014992 /nfs/dbraw/zinc/01/49/92/439014992.db2.gz PFCYDMFIFGROPM-GJZGRUSLSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000518887374 439014996 /nfs/dbraw/zinc/01/49/96/439014996.db2.gz PFCYDMFIFGROPM-GJZGRUSLSA-N 1 1 336.392 0.839 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000567120513 439116056 /nfs/dbraw/zinc/11/60/56/439116056.db2.gz FHZNBNDTHNKJRF-CYBMUJFWSA-N 1 1 346.387 0.879 20 5 ECBDMO CO[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@](C)(CO)C1 ZINC000602963803 439171032 /nfs/dbraw/zinc/17/10/32/439171032.db2.gz IQMCLXARVBBYSR-PBHICJAKSA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@](C)(CO)C1 ZINC000602963803 439171037 /nfs/dbraw/zinc/17/10/37/439171037.db2.gz IQMCLXARVBBYSR-PBHICJAKSA-N 1 1 349.387 0.956 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000602817486 439140228 /nfs/dbraw/zinc/14/02/28/439140228.db2.gz IEHXKCSKGIABJZ-LBPRGKRZSA-N 1 1 330.410 0.999 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000602817486 439140232 /nfs/dbraw/zinc/14/02/32/439140232.db2.gz IEHXKCSKGIABJZ-LBPRGKRZSA-N 1 1 330.410 0.999 20 5 ECBDMO COC(=O)[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198515 439176504 /nfs/dbraw/zinc/17/65/04/439176504.db2.gz QZMMNAFBCDDZHB-RYUDHWBXSA-N 1 1 337.332 0.050 20 5 ECBDMO COC(=O)[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198515 439176509 /nfs/dbraw/zinc/17/65/09/439176509.db2.gz QZMMNAFBCDDZHB-RYUDHWBXSA-N 1 1 337.332 0.050 20 5 ECBDMO C[C@@H]1[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000592804921 439282531 /nfs/dbraw/zinc/28/25/31/439282531.db2.gz TULVONOCTUDSDA-CHWSQXEVSA-N 1 1 333.392 0.979 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000603423953 439259531 /nfs/dbraw/zinc/25/95/31/439259531.db2.gz RXJQUKGRHBFOBF-ZDUSSCGKSA-N 1 1 336.396 0.593 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598451843 439263729 /nfs/dbraw/zinc/26/37/29/439263729.db2.gz DCESSLLXXHTIST-AWEZNQCLSA-N 1 1 334.376 0.969 20 5 ECBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335686 439320949 /nfs/dbraw/zinc/32/09/49/439320949.db2.gz FNFNSBVOAOPGEY-MWLCHTKSSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335686 439320952 /nfs/dbraw/zinc/32/09/52/439320952.db2.gz FNFNSBVOAOPGEY-MWLCHTKSSA-N 1 1 326.378 0.751 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](CCO)C[C@H]2C)c1 ZINC000593032215 439332286 /nfs/dbraw/zinc/33/22/86/439332286.db2.gz MIFFQDIEQLGEDM-GFCCVEGCSA-N 1 1 337.376 0.880 20 5 ECBDMO CNS(=O)(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598597156 439285636 /nfs/dbraw/zinc/28/56/36/439285636.db2.gz WYIDSYFWIVWZJG-SNVBAGLBSA-N 1 1 329.382 0.025 20 5 ECBDMO CNS(=O)(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000598597156 439285642 /nfs/dbraw/zinc/28/56/42/439285642.db2.gz WYIDSYFWIVWZJG-SNVBAGLBSA-N 1 1 329.382 0.025 20 5 ECBDMO CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603929052 439294799 /nfs/dbraw/zinc/29/47/99/439294799.db2.gz SCZZBBKPOQGDKE-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599107722 439359897 /nfs/dbraw/zinc/35/98/97/439359897.db2.gz RRHVGEPBSXIOFX-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000599107675 439360099 /nfs/dbraw/zinc/36/00/99/439360099.db2.gz QZQMTZOYUCKZDA-GFCCVEGCSA-N 1 1 329.378 0.045 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000593340537 439369165 /nfs/dbraw/zinc/36/91/65/439369165.db2.gz WIQIHZUMJOTWLP-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562557 439407148 /nfs/dbraw/zinc/40/71/48/439407148.db2.gz GGYVFUOXXKCEKJ-JOYOIKCWSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593562557 439407153 /nfs/dbraw/zinc/40/71/53/439407153.db2.gz GGYVFUOXXKCEKJ-JOYOIKCWSA-N 1 1 326.378 0.751 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000593597458 439418264 /nfs/dbraw/zinc/41/82/64/439418264.db2.gz IXNWUTZHEHQHEU-CYBMUJFWSA-N 1 1 326.378 0.706 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000599338446 439439805 /nfs/dbraw/zinc/43/98/05/439439805.db2.gz RSCMIZMVZHMUHR-JTQLQIEISA-N 1 1 345.425 0.727 20 5 ECBDMO O=C(CN1CC[N@H+]2C[C@H](O)C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000594027341 439510056 /nfs/dbraw/zinc/51/00/56/439510056.db2.gz MWCOUSLUQTXRMR-LSDHHAIUSA-N 1 1 346.387 0.235 20 5 ECBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)C(F)(F)F ZINC000594018395 439506619 /nfs/dbraw/zinc/50/66/19/439506619.db2.gz WQSDXSIRPHRVDM-VIFPVBQESA-N 1 1 326.275 0.663 20 5 ECBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)C(F)(F)F ZINC000594018395 439506625 /nfs/dbraw/zinc/50/66/25/439506625.db2.gz WQSDXSIRPHRVDM-VIFPVBQESA-N 1 1 326.275 0.663 20 5 ECBDMO CNc1nccc(C(=O)N2CCC[N@@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000571654871 439521531 /nfs/dbraw/zinc/52/15/31/439521531.db2.gz STQHOXKCTVHCHP-UHFFFAOYSA-N 1 1 337.380 0.826 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000609269817 439560490 /nfs/dbraw/zinc/56/04/90/439560490.db2.gz XKIIYENJEPONSD-LLVKDONJSA-N 1 1 325.369 0.477 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000609269146 439561989 /nfs/dbraw/zinc/56/19/89/439561989.db2.gz MAOAANMXKXMLRC-LBPRGKRZSA-N 1 1 325.369 0.408 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000594568887 439577394 /nfs/dbraw/zinc/57/73/94/439577394.db2.gz GBDNOXZTSZXXJG-CYBMUJFWSA-N 1 1 335.364 0.792 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938654 439581608 /nfs/dbraw/zinc/58/16/08/439581608.db2.gz CSDVDJZDJWUCCC-KGLIPLIRSA-N 1 1 349.387 0.950 20 5 ECBDMO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000600134260 439617897 /nfs/dbraw/zinc/61/78/97/439617897.db2.gz YWBOJDINGXDLOC-UHFFFAOYSA-N 1 1 340.361 0.959 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000610939674 439659072 /nfs/dbraw/zinc/65/90/72/439659072.db2.gz IBSVQPKKTNJLLY-NSHDSACASA-N 1 1 343.409 0.574 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000573754612 439664636 /nfs/dbraw/zinc/66/46/36/439664636.db2.gz IGHAWFMDQHUPPK-IUODEOHRSA-N 1 1 337.376 0.907 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000600808077 439703696 /nfs/dbraw/zinc/70/36/96/439703696.db2.gz HLPUTYWEAAFMQR-JTQLQIEISA-N 1 1 345.302 0.993 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000600809267 439705530 /nfs/dbraw/zinc/70/55/30/439705530.db2.gz XWLAOJIYLJQDSP-JTQLQIEISA-N 1 1 345.302 0.993 20 5 ECBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600534340 439674632 /nfs/dbraw/zinc/67/46/32/439674632.db2.gz OUQRXMWZMRSAAY-SNVBAGLBSA-N 1 1 329.303 0.598 20 5 ECBDMO CC[N@@H+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C ZINC000611762142 439728646 /nfs/dbraw/zinc/72/86/46/439728646.db2.gz NNXKQBFUVXXUKY-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C[C@@H]1C ZINC000611762142 439728649 /nfs/dbraw/zinc/72/86/49/439728649.db2.gz NNXKQBFUVXXUKY-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344274648 321146251 /nfs/dbraw/zinc/14/62/51/321146251.db2.gz YAJVZXBILXMGCJ-CYBMUJFWSA-N 1 1 338.339 0.804 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000345104067 321173707 /nfs/dbraw/zinc/17/37/07/321173707.db2.gz NYACIODEMQKBID-GFCCVEGCSA-N 1 1 336.348 0.882 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000345390421 321186141 /nfs/dbraw/zinc/18/61/41/321186141.db2.gz PRWOTYFTWBMWFM-RYUDHWBXSA-N 1 1 339.396 0.667 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000556700066 322192474 /nfs/dbraw/zinc/19/24/74/322192474.db2.gz QVJHKFDWZBMNHS-LBPRGKRZSA-N 1 1 337.376 0.671 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000556700066 322192476 /nfs/dbraw/zinc/19/24/76/322192476.db2.gz QVJHKFDWZBMNHS-LBPRGKRZSA-N 1 1 337.376 0.671 20 5 ECBDMO CNC(=O)NC(=O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266583653 536322217 /nfs/dbraw/zinc/32/22/17/536322217.db2.gz IZXAGLKPDMOVRB-UHFFFAOYSA-N 1 1 336.348 0.894 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266149042 536403306 /nfs/dbraw/zinc/40/33/06/536403306.db2.gz QKCZJWDLLRIOQM-UHFFFAOYSA-N 1 1 334.376 0.418 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[N@H+](C)CC1 ZINC000619473005 546331172 /nfs/dbraw/zinc/33/11/72/546331172.db2.gz UVPFFKGTASNNPB-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[N@@H+](C)CC1 ZINC000619473005 546331173 /nfs/dbraw/zinc/33/11/73/546331173.db2.gz UVPFFKGTASNNPB-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106534 579412999 /nfs/dbraw/zinc/41/29/99/579412999.db2.gz ZMFSWJHXQLAIJR-OLZOCXBDSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000754106534 579413000 /nfs/dbraw/zinc/41/30/00/579413000.db2.gz ZMFSWJHXQLAIJR-OLZOCXBDSA-N 1 1 329.378 0.381 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000794706865 578598462 /nfs/dbraw/zinc/59/84/62/578598462.db2.gz WUXZRNNOZCZGQB-MRXNPFEDSA-N 1 1 347.375 0.992 20 5 ECBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794785015 578600040 /nfs/dbraw/zinc/60/00/40/578600040.db2.gz JAGPDBDTPMREGE-ZIAGYGMSSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794785015 578600042 /nfs/dbraw/zinc/60/00/42/578600042.db2.gz JAGPDBDTPMREGE-ZIAGYGMSSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747959271 579855770 /nfs/dbraw/zinc/85/57/70/579855770.db2.gz NDHAXFSZQIHEFB-SECBINFHSA-N 1 1 335.286 0.886 20 5 ECBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000747959271 579855771 /nfs/dbraw/zinc/85/57/71/579855771.db2.gz NDHAXFSZQIHEFB-SECBINFHSA-N 1 1 335.286 0.886 20 5 ECBDMO COc1cccc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000896546604 586251929 /nfs/dbraw/zinc/25/19/29/586251929.db2.gz YHXBXQMPRJGOLI-YPMHNXCESA-N 1 1 336.392 0.968 20 5 ECBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896579627 586259308 /nfs/dbraw/zinc/25/93/08/586259308.db2.gz HRFVYYYVKJKHLB-WFASDCNBSA-N 1 1 336.392 0.724 20 5 ECBDMO C[N@@H+](CCO)CCNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000899726778 586502644 /nfs/dbraw/zinc/50/26/44/586502644.db2.gz VLAMFEQBMDZVCF-UHFFFAOYSA-N 1 1 336.392 0.849 20 5 ECBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]21 ZINC000821628539 587608894 /nfs/dbraw/zinc/60/88/94/587608894.db2.gz KQCDGCBJSGRLJV-STQMWFEESA-N 1 1 331.336 0.294 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000824707790 587889636 /nfs/dbraw/zinc/88/96/36/587889636.db2.gz VZTGPAZXNGNZCM-WDEREUQCSA-N 1 1 347.379 0.666 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516952 587947750 /nfs/dbraw/zinc/94/77/50/587947750.db2.gz HHDQWRMXVCIDJH-ZNMIVQPWSA-N 1 1 335.360 0.608 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825516951 587947766 /nfs/dbraw/zinc/94/77/66/587947766.db2.gz HHDQWRMXVCIDJH-RRFJBIMHSA-N 1 1 335.360 0.608 20 5 ECBDMO CCOC(=O)Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845720524 589167890 /nfs/dbraw/zinc/16/78/90/589167890.db2.gz CYEJMVUCQLYIAT-CQSZACIVSA-N 1 1 349.387 0.956 20 5 ECBDMO CCOC(=O)Cc1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000845720524 589167891 /nfs/dbraw/zinc/16/78/91/589167891.db2.gz CYEJMVUCQLYIAT-CQSZACIVSA-N 1 1 349.387 0.956 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000867811244 589847296 /nfs/dbraw/zinc/84/72/96/589847296.db2.gz OFPOVTLKDPLLJJ-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C1OC[C@H]2C[N@@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000863338457 590006004 /nfs/dbraw/zinc/00/60/04/590006004.db2.gz MYULUFIGWAXJEI-DGCLKSJQSA-N 1 1 329.316 0.916 20 5 ECBDMO O=C1OC[C@H]2C[N@H+](Cn3cnc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]12 ZINC000863338457 590006007 /nfs/dbraw/zinc/00/60/07/590006007.db2.gz MYULUFIGWAXJEI-DGCLKSJQSA-N 1 1 329.316 0.916 20 5 ECBDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000863507700 590019996 /nfs/dbraw/zinc/01/99/96/590019996.db2.gz AYUHVXAJEZAWMF-LLVKDONJSA-N 1 1 345.302 0.749 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000863507700 590019997 /nfs/dbraw/zinc/01/99/97/590019997.db2.gz AYUHVXAJEZAWMF-LLVKDONJSA-N 1 1 345.302 0.749 20 5 ECBDMO O=C1CC2(COC2)CN1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000872600938 590131622 /nfs/dbraw/zinc/13/16/22/590131622.db2.gz GJRGBVFZCZQMPP-UHFFFAOYSA-N 1 1 335.364 0.635 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)C1 ZINC000930618143 611448027 /nfs/dbraw/zinc/44/80/27/611448027.db2.gz CGBJIFNFGHXSQF-ZDUSSCGKSA-N 1 1 348.407 0.655 20 5 ECBDMO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000930878617 609129016 /nfs/dbraw/zinc/12/90/16/609129016.db2.gz ZIESGOHIDYIGJT-UHFFFAOYSA-N 1 1 336.396 0.431 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000916660254 609945628 /nfs/dbraw/zinc/94/56/28/609945628.db2.gz IQHCYHQRZRPIDJ-MNOVXSKESA-N 1 1 326.378 0.562 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCCF)CCO2 ZINC000949365750 611953550 /nfs/dbraw/zinc/95/35/50/611953550.db2.gz CZCQJIUZJZQLEI-CHWSQXEVSA-N 1 1 329.372 0.705 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CCCF)CCO2 ZINC000949365750 611953552 /nfs/dbraw/zinc/95/35/52/611953552.db2.gz CZCQJIUZJZQLEI-CHWSQXEVSA-N 1 1 329.372 0.705 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)C[N@@H+](CCCF)CCO2 ZINC000949365750 611953553 /nfs/dbraw/zinc/95/35/53/611953553.db2.gz CZCQJIUZJZQLEI-CHWSQXEVSA-N 1 1 329.372 0.705 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])c(-n2cnc(C[NH3+])cc2=N)cc1OC ZINC001167359194 734006276 /nfs/dbraw/zinc/00/62/76/734006276.db2.gz KYJKDJNVPNWPIJ-UHFFFAOYSA-N 1 1 333.304 0.514 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778978 739936965 /nfs/dbraw/zinc/93/69/65/739936965.db2.gz YGVTUYOAWOXAMB-NMQNIBJMSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCOc3ccccc3F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778978 739936969 /nfs/dbraw/zinc/93/69/69/739936969.db2.gz YGVTUYOAWOXAMB-NMQNIBJMSA-N 1 1 349.362 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCOc3ccccc3F)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025778978 739936972 /nfs/dbraw/zinc/93/69/72/739936972.db2.gz YGVTUYOAWOXAMB-NMQNIBJMSA-N 1 1 349.362 0.916 20 5 ECBDMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025933472 740262377 /nfs/dbraw/zinc/26/23/77/740262377.db2.gz ANYDITPDASJZFP-JYAVWHMHSA-N 1 1 342.359 0.882 20 5 ECBDMO Cn1c(=O)cc(Nc2ccc([N+](=O)[O-])c3c2CC[N@H+](C)C3)n(C)c1=O ZINC001167775053 743340363 /nfs/dbraw/zinc/34/03/63/743340363.db2.gz RLBVOQWVBUBOLB-UHFFFAOYSA-N 1 1 345.359 0.724 20 5 ECBDMO Cn1c(=O)cc(Nc2ccc([N+](=O)[O-])c3c2CC[N@@H+](C)C3)n(C)c1=O ZINC001167775053 743340371 /nfs/dbraw/zinc/34/03/71/743340371.db2.gz RLBVOQWVBUBOLB-UHFFFAOYSA-N 1 1 345.359 0.724 20 5 ECBDMO CCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997772130 743801870 /nfs/dbraw/zinc/80/18/70/743801870.db2.gz LKKYMISPTNSFAN-CHWSQXEVSA-N 1 1 336.396 0.291 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000985704235 748895790 /nfs/dbraw/zinc/89/57/90/748895790.db2.gz CYUAZOPPCNWAGX-UHFFFAOYSA-N 1 1 348.367 0.183 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000985704235 748895797 /nfs/dbraw/zinc/89/57/97/748895797.db2.gz CYUAZOPPCNWAGX-UHFFFAOYSA-N 1 1 348.367 0.183 20 5 ECBDMO CN(Cc1nncs1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964500 750114849 /nfs/dbraw/zinc/11/48/49/750114849.db2.gz MJYZPCLHAAXEAQ-VXGBXAGGSA-N 1 1 339.421 0.874 20 5 ECBDMO NC(=O)CC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000981679939 750963868 /nfs/dbraw/zinc/96/38/68/750963868.db2.gz ZBGCLSMSCKAWHG-UHFFFAOYSA-N 1 1 346.387 0.895 20 5 ECBDMO O=C(Cn1cncn1)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989619543 754197680 /nfs/dbraw/zinc/19/76/80/754197680.db2.gz LZAHOSDAHCXPKL-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(Cn1cncn1)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000989619543 754197690 /nfs/dbraw/zinc/19/76/90/754197690.db2.gz LZAHOSDAHCXPKL-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO Cc1cc(C)c(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)c1 ZINC001126936440 756759881 /nfs/dbraw/zinc/75/98/81/756759881.db2.gz HYEDWQBPBHUZMW-ZIAGYGMSSA-N 1 1 348.403 0.921 20 5 ECBDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)nn1 ZINC001048814393 757081610 /nfs/dbraw/zinc/08/16/10/757081610.db2.gz JLAGMCGADFNIPW-ZMJPVWNMSA-N 1 1 347.375 0.041 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc3nonc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064179 758228036 /nfs/dbraw/zinc/22/80/36/758228036.db2.gz ZLUZYXMWDLQCCG-FBKDDSFISA-N 1 1 331.332 0.625 20 5 ECBDMO CC[N@@H+](C)CCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107321645 758265691 /nfs/dbraw/zinc/26/56/91/758265691.db2.gz IIBZAXSYIARJLL-SNAWJCMRSA-N 1 1 337.384 0.393 20 5 ECBDMO C[NH+](C)Cc1cccc(C(=O)N2CC(NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000991291762 760154847 /nfs/dbraw/zinc/15/48/47/760154847.db2.gz YRKSBVJIIHZADP-HUUCEWRRSA-N 1 1 346.387 0.354 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001055954644 770355351 /nfs/dbraw/zinc/35/53/51/770355351.db2.gz DLSBYPWGLHHSJN-UHFFFAOYSA-N 1 1 346.347 0.549 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1c(Cl)cnn1C ZINC001127454807 771248507 /nfs/dbraw/zinc/24/85/07/771248507.db2.gz NOEHWPWGTMMSQQ-UHFFFAOYSA-N 1 1 341.759 0.235 20 5 ECBDMO CCOc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001020138928 772205695 /nfs/dbraw/zinc/20/56/95/772205695.db2.gz IKTIYYBAKFOADG-AAVRWANBSA-N 1 1 334.376 0.882 20 5 ECBDMO C[N@@H+](CCNC(=O)c1cc(C(N)=O)c[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267224279 837018497 /nfs/dbraw/zinc/01/84/97/837018497.db2.gz ALSFWECKZSAQMQ-UHFFFAOYSA-N 1 1 345.359 0.884 20 5 ECBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420146781 209321989 /nfs/dbraw/zinc/32/19/89/209321989.db2.gz AZPNNJNTIRRIAP-UHFFFAOYSA-N 1 1 344.318 0.306 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189335511 437592394 /nfs/dbraw/zinc/59/23/94/437592394.db2.gz RWIDJWSWVVIGKM-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000246658083 205220745 /nfs/dbraw/zinc/22/07/45/205220745.db2.gz HAFFFDFAGHVPOJ-NEPJUHHUSA-N 1 1 339.396 0.403 20 5 ECBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000161643390 206361589 /nfs/dbraw/zinc/36/15/89/206361589.db2.gz VVIXJODOWUFMMT-OCCSQVGLSA-N 1 1 336.396 0.917 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174296155 207007715 /nfs/dbraw/zinc/00/77/15/207007715.db2.gz DZIMRDLHISMHFQ-WDEREUQCSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174296155 207007718 /nfs/dbraw/zinc/00/77/18/207007718.db2.gz DZIMRDLHISMHFQ-WDEREUQCSA-N 1 1 325.369 0.013 20 5 ECBDMO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@@H](C)O ZINC000174616549 207036553 /nfs/dbraw/zinc/03/65/53/207036553.db2.gz UZCAAWCSOZELPC-DGCLKSJQSA-N 1 1 339.396 0.403 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C)C1 ZINC000413897547 208366315 /nfs/dbraw/zinc/36/63/15/208366315.db2.gz ANRIELHVIUWMHX-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+](C)C1 ZINC000413897547 208366320 /nfs/dbraw/zinc/36/63/20/208366320.db2.gz ANRIELHVIUWMHX-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO C[C@H]1CN(C2CCC2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351660 210313022 /nfs/dbraw/zinc/31/30/22/210313022.db2.gz FWKZQKCPFNBWJV-CJNGLKHVSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000429351660 210313019 /nfs/dbraw/zinc/31/30/19/210313019.db2.gz FWKZQKCPFNBWJV-CJNGLKHVSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@H]1CN(C2CCC2)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351660 210313020 /nfs/dbraw/zinc/31/30/20/210313020.db2.gz FWKZQKCPFNBWJV-CJNGLKHVSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000114369894 220670749 /nfs/dbraw/zinc/67/07/49/220670749.db2.gz VIGKHSSOQNACKF-GFCCVEGCSA-N 1 1 339.396 0.753 20 5 ECBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(CO)CCOCC1 ZINC000191022960 165028501 /nfs/dbraw/zinc/02/85/01/165028501.db2.gz LSTFFCDKIIIIPC-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000246008414 165121313 /nfs/dbraw/zinc/12/13/13/165121313.db2.gz SRFOBRFXVKUCTM-GXTWGEPZSA-N 1 1 336.396 0.917 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261808917 165245775 /nfs/dbraw/zinc/24/57/75/165245775.db2.gz WPMORCYZWLSSEJ-GFCCVEGCSA-N 1 1 347.379 0.396 20 5 ECBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187708942 263160580 /nfs/dbraw/zinc/16/05/80/263160580.db2.gz ZNOXBLPDEDWRLO-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187708942 263160581 /nfs/dbraw/zinc/16/05/81/263160581.db2.gz ZNOXBLPDEDWRLO-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])C1 ZINC000269435656 263183121 /nfs/dbraw/zinc/18/31/21/263183121.db2.gz OKOLCIKZVKVXNM-SNVBAGLBSA-N 1 1 325.369 0.892 20 5 ECBDMO O=C(NC1CC1)c1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000270215369 263228429 /nfs/dbraw/zinc/22/84/29/263228429.db2.gz GXBFPRJJDLLRDY-UHFFFAOYSA-N 1 1 348.403 0.991 20 5 ECBDMO NS(=O)(=O)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270642515 263259119 /nfs/dbraw/zinc/25/91/19/263259119.db2.gz PWXLPJPEXMCISZ-CQSZACIVSA-N 1 1 343.405 0.629 20 5 ECBDMO CC[N@H+](CCOCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282161180 264020623 /nfs/dbraw/zinc/02/06/23/264020623.db2.gz UGGUDHWXEDFBAZ-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO CC[N@@H+](CCOCCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000282161180 264020625 /nfs/dbraw/zinc/02/06/25/264020625.db2.gz UGGUDHWXEDFBAZ-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO Cn1c(=O)cc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n(C)c1=O ZINC000282433595 264043923 /nfs/dbraw/zinc/04/39/23/264043923.db2.gz KJINRPREMVLGLO-UHFFFAOYSA-N 1 1 332.360 0.667 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283252638 264099592 /nfs/dbraw/zinc/09/95/92/264099592.db2.gz VMKYPBDZFPZQAI-LLVKDONJSA-N 1 1 346.384 0.739 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283252638 264099594 /nfs/dbraw/zinc/09/95/94/264099594.db2.gz VMKYPBDZFPZQAI-LLVKDONJSA-N 1 1 346.384 0.739 20 5 ECBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296954454 265126985 /nfs/dbraw/zinc/12/69/85/265126985.db2.gz XZXBAAYHCURKNH-LLVKDONJSA-N 1 1 343.384 0.609 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000330791644 437617084 /nfs/dbraw/zinc/61/70/84/437617084.db2.gz BJWYYTOKADECGU-GHMZBOCLSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000330791644 437617090 /nfs/dbraw/zinc/61/70/90/437617090.db2.gz BJWYYTOKADECGU-GHMZBOCLSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[NH+]1CCN(C(=O)c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000339233783 297327764 /nfs/dbraw/zinc/32/77/64/297327764.db2.gz RCNOKOGFFZCEKB-UHFFFAOYSA-N 1 1 342.377 0.020 20 5 ECBDMO C[C@H]1C[NH+](CCN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000345410967 298153405 /nfs/dbraw/zinc/15/34/05/298153405.db2.gz UJHVNNDIBMPRNS-RYUDHWBXSA-N 1 1 325.369 0.359 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)C1 ZINC000346278664 298248534 /nfs/dbraw/zinc/24/85/34/298248534.db2.gz CYEAICGIITYGKZ-NSHDSACASA-N 1 1 348.359 0.388 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588428 300108800 /nfs/dbraw/zinc/10/88/00/300108800.db2.gz RSBFUKOIYUVQJX-JGGQBBKZSA-N 1 1 340.376 0.806 20 5 ECBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000362269853 300178765 /nfs/dbraw/zinc/17/87/65/300178765.db2.gz KVYUJNLQKVGKTG-HNNXBMFYSA-N 1 1 337.332 0.506 20 5 ECBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000364338261 300346829 /nfs/dbraw/zinc/34/68/29/300346829.db2.gz PGVUSJUPPJMPBK-GFCCVEGCSA-N 1 1 348.363 0.026 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000371567593 300921392 /nfs/dbraw/zinc/92/13/92/300921392.db2.gz BYOZIUZCAXVUBX-OCCSQVGLSA-N 1 1 334.376 0.848 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000025579529 436152922 /nfs/dbraw/zinc/15/29/22/436152922.db2.gz BFIHBRRZYVGXPG-UHFFFAOYSA-N 1 1 335.364 0.316 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372465491 301003604 /nfs/dbraw/zinc/00/36/04/301003604.db2.gz WBJNMFVDERLWGL-UHFFFAOYSA-N 1 1 339.396 0.799 20 5 ECBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372557412 301008906 /nfs/dbraw/zinc/00/89/06/301008906.db2.gz MMQWEAOPAHXBSR-ZFWWWQNUSA-N 1 1 337.380 0.097 20 5 ECBDMO COc1ccc(OCC[N@@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375235491 301161539 /nfs/dbraw/zinc/16/15/39/301161539.db2.gz ZFQZEFWLXGWTAK-CYBMUJFWSA-N 1 1 337.376 0.999 20 5 ECBDMO COc1ccc(OCC[N@H+]2CCN3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375235491 301161541 /nfs/dbraw/zinc/16/15/41/301161541.db2.gz ZFQZEFWLXGWTAK-CYBMUJFWSA-N 1 1 337.376 0.999 20 5 ECBDMO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000045726780 436374488 /nfs/dbraw/zinc/37/44/88/436374488.db2.gz MASQUHVCNNABLY-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000048245627 436444940 /nfs/dbraw/zinc/44/49/40/436444940.db2.gz JFXFQWGPRDEBAI-ZDUSSCGKSA-N 1 1 330.348 0.577 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000047633005 436427497 /nfs/dbraw/zinc/42/74/97/436427497.db2.gz SAKCNMICMXTJDT-CQSZACIVSA-N 1 1 337.380 0.505 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000109066916 436622807 /nfs/dbraw/zinc/62/28/07/436622807.db2.gz AOGBQHPKMHLMOW-NXEZZACHSA-N 1 1 329.378 0.974 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000106401452 436594443 /nfs/dbraw/zinc/59/44/43/436594443.db2.gz NZXJEAXGOQXWND-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000114369891 436640267 /nfs/dbraw/zinc/64/02/67/436640267.db2.gz VIGKHSSOQNACKF-LBPRGKRZSA-N 1 1 339.396 0.753 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000120693172 436696825 /nfs/dbraw/zinc/69/68/25/436696825.db2.gz MEBRRWLCLAMSEJ-UHFFFAOYSA-N 1 1 338.339 0.674 20 5 ECBDMO CC[N@H+]1CCCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000272346523 436711799 /nfs/dbraw/zinc/71/17/99/436711799.db2.gz CNXWOCLCKKCQDH-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000067717816 436721530 /nfs/dbraw/zinc/72/15/30/436721530.db2.gz ASZUAUSGZYFQMJ-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO Cc1c(NC(=O)CC[NH+]2CCN(CCO)CC2)cccc1[N+](=O)[O-] ZINC000068128251 436734851 /nfs/dbraw/zinc/73/48/51/436734851.db2.gz VQCHLZVBKMZKQR-UHFFFAOYSA-N 1 1 336.392 0.842 20 5 ECBDMO CCc1n[nH]c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000274580925 436845799 /nfs/dbraw/zinc/84/57/99/436845799.db2.gz HLVLRLHQFZNXPY-LLVKDONJSA-N 1 1 338.412 0.636 20 5 ECBDMO COCC[NH+]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000280978543 436938284 /nfs/dbraw/zinc/93/82/84/436938284.db2.gz LBVISXDJWLDIHE-UHFFFAOYSA-N 1 1 344.393 0.011 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000298134373 437029378 /nfs/dbraw/zinc/02/93/78/437029378.db2.gz QITYHUIBCNTQLF-ZDUSSCGKSA-N 1 1 332.364 0.369 20 5 ECBDMO Cn1ccnc1C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263879378 436997771 /nfs/dbraw/zinc/99/77/71/436997771.db2.gz ALTMRTAXBSKLDC-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000282559836 437014534 /nfs/dbraw/zinc/01/45/34/437014534.db2.gz SORIYTSLZDDIDA-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)C[C@H](C)O ZINC000298695536 437048969 /nfs/dbraw/zinc/04/89/69/437048969.db2.gz ZPXHEJBHOWIPGE-NSHDSACASA-N 1 1 341.364 0.607 20 5 ECBDMO CN(CC(=O)NCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000173031473 437037143 /nfs/dbraw/zinc/03/71/43/437037143.db2.gz YGDCCAZQVBMSES-UHFFFAOYSA-N 1 1 336.392 0.870 20 5 ECBDMO Nc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174195786 437077454 /nfs/dbraw/zinc/07/74/54/437077454.db2.gz LTDIQYRTIOYKHE-GFCCVEGCSA-N 1 1 334.376 0.971 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC[NH+]2CCOCC2)c1 ZINC000299580987 437091734 /nfs/dbraw/zinc/09/17/34/437091734.db2.gz WGNWGHXIAIZNIQ-UHFFFAOYSA-N 1 1 325.321 0.265 20 5 ECBDMO C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302347750 437143189 /nfs/dbraw/zinc/14/31/89/437143189.db2.gz BCTBTXGHGSBRMJ-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO C[C@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302347750 437143192 /nfs/dbraw/zinc/14/31/92/437143192.db2.gz BCTBTXGHGSBRMJ-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3cccc(S(C)(=O)=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000302859414 437150750 /nfs/dbraw/zinc/15/07/50/437150750.db2.gz OEQDOUMKVDHROL-PHIMTYICSA-N 1 1 325.390 0.996 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000304351236 437157979 /nfs/dbraw/zinc/15/79/79/437157979.db2.gz RHFHYHGHPHLKDU-KRWDZBQOSA-N 1 1 345.403 0.970 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000276769732 437158400 /nfs/dbraw/zinc/15/84/00/437158400.db2.gz KVVLIKUJFGPESG-CQSZACIVSA-N 1 1 340.376 0.808 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302129720 437140020 /nfs/dbraw/zinc/14/00/20/437140020.db2.gz JSGZYELYILFRSL-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000267867152 437335524 /nfs/dbraw/zinc/33/55/24/437335524.db2.gz ZBQKNTMDCSUZNT-LBPRGKRZSA-N 1 1 347.375 0.941 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)NC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000267867152 437335527 /nfs/dbraw/zinc/33/55/27/437335527.db2.gz ZBQKNTMDCSUZNT-LBPRGKRZSA-N 1 1 347.375 0.941 20 5 ECBDMO COc1cc(C[NH2+]CC2(S(C)(=O)=O)CC2)c([N+](=O)[O-])cc1O ZINC000279631065 437431458 /nfs/dbraw/zinc/43/14/58/437431458.db2.gz IBDLYPWHTICBFO-UHFFFAOYSA-N 1 1 330.362 0.976 20 5 ECBDMO CCOc1ccc(NC(=O)C[N@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289656050 437430604 /nfs/dbraw/zinc/43/06/04/437430604.db2.gz FBRTYKSNJWIEAH-NSHDSACASA-N 1 1 341.364 0.607 20 5 ECBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289656050 437430608 /nfs/dbraw/zinc/43/06/08/437430608.db2.gz FBRTYKSNJWIEAH-NSHDSACASA-N 1 1 341.364 0.607 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000183298706 437381800 /nfs/dbraw/zinc/38/18/00/437381800.db2.gz OFABFZGODVQEEW-UHFFFAOYSA-N 1 1 346.387 0.940 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184099627 437398639 /nfs/dbraw/zinc/39/86/39/437398639.db2.gz SMQKYNSMDLYTAM-AWEZNQCLSA-N 1 1 340.380 0.281 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186636284 437479588 /nfs/dbraw/zinc/47/95/88/437479588.db2.gz LKFJQVRWCRFNAB-JTQLQIEISA-N 1 1 338.389 0.693 20 5 ECBDMO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1CCO ZINC000343034517 437486399 /nfs/dbraw/zinc/48/63/99/437486399.db2.gz AVDFRJRPGFSOKA-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1CCO ZINC000343034517 437486403 /nfs/dbraw/zinc/48/64/03/437486403.db2.gz AVDFRJRPGFSOKA-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO CCOC(=O)[C@H](C)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190837327 437639841 /nfs/dbraw/zinc/63/98/41/437639841.db2.gz GXUOOXIXBACUFV-GXFFZTMASA-N 1 1 326.353 0.568 20 5 ECBDMO CCOC(=O)[C@H](C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000190837327 437639848 /nfs/dbraw/zinc/63/98/48/437639848.db2.gz GXUOOXIXBACUFV-GXFFZTMASA-N 1 1 326.353 0.568 20 5 ECBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363063409 437766653 /nfs/dbraw/zinc/76/66/53/437766653.db2.gz AYTKAGJDSOBUII-LBPRGKRZSA-N 1 1 335.412 0.572 20 5 ECBDMO CN(c1ncc([N+](=O)[O-])c(N)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363063409 437766655 /nfs/dbraw/zinc/76/66/55/437766655.db2.gz AYTKAGJDSOBUII-LBPRGKRZSA-N 1 1 335.412 0.572 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340888242 437754075 /nfs/dbraw/zinc/75/40/75/437754075.db2.gz FSKROBHIBMNMNI-CQSZACIVSA-N 1 1 348.359 0.513 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000340888242 437754077 /nfs/dbraw/zinc/75/40/77/437754077.db2.gz FSKROBHIBMNMNI-CQSZACIVSA-N 1 1 348.359 0.513 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000363217957 437775786 /nfs/dbraw/zinc/77/57/86/437775786.db2.gz DFTRVGZNYGWORD-GFCCVEGCSA-N 1 1 338.364 0.324 20 5 ECBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000370607322 437809177 /nfs/dbraw/zinc/80/91/77/437809177.db2.gz VWOGEHXANGTJKL-CYBMUJFWSA-N 1 1 333.348 1.519 20 5 ECBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000370607322 437809182 /nfs/dbraw/zinc/80/91/82/437809182.db2.gz VWOGEHXANGTJKL-CYBMUJFWSA-N 1 1 333.348 1.519 20 5 ECBDMO O=C1NC(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000366305978 438049402 /nfs/dbraw/zinc/04/94/02/438049402.db2.gz FAJMMDOIWLQZIV-MNOVXSKESA-N 1 1 334.288 0.598 20 5 ECBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000366305978 438049405 /nfs/dbraw/zinc/04/94/05/438049405.db2.gz FAJMMDOIWLQZIV-MNOVXSKESA-N 1 1 334.288 0.598 20 5 ECBDMO CCCn1nc2c(cc1=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000371845012 438002226 /nfs/dbraw/zinc/00/22/26/438002226.db2.gz YKGCTYDNKBIKFB-UHFFFAOYSA-N 1 1 332.364 0.816 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358210959 438181695 /nfs/dbraw/zinc/18/16/95/438181695.db2.gz JXVOYPPVQLDUFO-CYBMUJFWSA-N 1 1 329.378 0.248 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000358215269 438184509 /nfs/dbraw/zinc/18/45/09/438184509.db2.gz RTWVRDBOWSDRDR-GFCCVEGCSA-N 1 1 349.796 0.593 20 5 ECBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000367018849 438155863 /nfs/dbraw/zinc/15/58/63/438155863.db2.gz DAQIDYBYCOLVQT-GXTWGEPZSA-N 1 1 334.376 0.747 20 5 ECBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367149706 438171962 /nfs/dbraw/zinc/17/19/62/438171962.db2.gz XLMSVFSLVPYBBQ-HNNXBMFYSA-N 1 1 333.392 0.513 20 5 ECBDMO CNC(=O)c1ccc(N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000419006366 438280647 /nfs/dbraw/zinc/28/06/47/438280647.db2.gz QEPLGNFXZLCRFJ-VXGBXAGGSA-N 1 1 336.392 0.846 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000420453184 438408949 /nfs/dbraw/zinc/40/89/49/438408949.db2.gz XCUAMTSUNIRANZ-ZCFIWIBFSA-N 1 1 327.334 0.932 20 5 ECBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000408033844 438494254 /nfs/dbraw/zinc/49/42/54/438494254.db2.gz QGVUKLWMXQFWRD-INIZCTEOSA-N 1 1 330.388 0.869 20 5 ECBDMO CCCC(=O)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369781810 438514098 /nfs/dbraw/zinc/51/40/98/438514098.db2.gz IYLZPKLHSZWLCF-AWEZNQCLSA-N 1 1 339.396 0.487 20 5 ECBDMO Nc1c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc(F)cc1[N+](=O)[O-] ZINC000452352677 438653929 /nfs/dbraw/zinc/65/39/29/438653929.db2.gz SMLNSTQQAXDIHU-LLVKDONJSA-N 1 1 340.355 0.893 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451631086 438702430 /nfs/dbraw/zinc/70/24/30/438702430.db2.gz GXUZUCPPHAVWLQ-FXAINCCUSA-N 1 1 332.316 0.126 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451631086 438702432 /nfs/dbraw/zinc/70/24/32/438702432.db2.gz GXUZUCPPHAVWLQ-FXAINCCUSA-N 1 1 332.316 0.126 20 5 ECBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCN1C ZINC000414974395 438724449 /nfs/dbraw/zinc/72/44/49/438724449.db2.gz KFFXETRAQNOCMB-IUODEOHRSA-N 1 1 335.408 0.805 20 5 ECBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1CCO ZINC000456205245 438762456 /nfs/dbraw/zinc/76/24/56/438762456.db2.gz BIBZNCRYGUQTJS-TXEJJXNPSA-N 1 1 339.396 0.440 20 5 ECBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H](C)[N@@H+]1CCO ZINC000456205245 438762458 /nfs/dbraw/zinc/76/24/58/438762458.db2.gz BIBZNCRYGUQTJS-TXEJJXNPSA-N 1 1 339.396 0.440 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576122086 438770463 /nfs/dbraw/zinc/77/04/63/438770463.db2.gz VWHJRQBFXQRBHT-CQSZACIVSA-N 1 1 339.392 0.597 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1 ZINC000595742150 438855295 /nfs/dbraw/zinc/85/52/95/438855295.db2.gz OOLJOAUTZFFYLH-INWMFGNUSA-N 1 1 349.387 0.935 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860107 438843383 /nfs/dbraw/zinc/84/33/83/438843383.db2.gz DMOOYPYFYOUJDT-NWDGAFQWSA-N 1 1 345.359 0.752 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860107 438843393 /nfs/dbraw/zinc/84/33/93/438843393.db2.gz DMOOYPYFYOUJDT-NWDGAFQWSA-N 1 1 345.359 0.752 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(N)=O)CCOCC1 ZINC000595728133 438850230 /nfs/dbraw/zinc/85/02/30/438850230.db2.gz JVBGZWQMDOSSIM-UHFFFAOYSA-N 1 1 336.348 0.466 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590045251 438899062 /nfs/dbraw/zinc/89/90/62/438899062.db2.gz OEUOIEUGGWZDJM-WHOFXGATSA-N 1 1 346.387 0.876 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590045246 438899407 /nfs/dbraw/zinc/89/94/07/438899407.db2.gz OEUOIEUGGWZDJM-CORIIIEPSA-N 1 1 346.387 0.876 20 5 ECBDMO C[C@@H]1CN(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865350 438880542 /nfs/dbraw/zinc/88/05/42/438880542.db2.gz XTCINFALKTYALA-HIFRSBDPSA-N 1 1 341.412 0.243 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918985 438884756 /nfs/dbraw/zinc/88/47/56/438884756.db2.gz PLZWFYQQQMMYPL-IRUJWGPZSA-N 1 1 334.323 0.897 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918985 438884767 /nfs/dbraw/zinc/88/47/67/438884767.db2.gz PLZWFYQQQMMYPL-IRUJWGPZSA-N 1 1 334.323 0.897 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589925683 438891297 /nfs/dbraw/zinc/89/12/97/438891297.db2.gz OAEWFMQHIFTGAH-ZYHUDNBSSA-N 1 1 341.389 0.928 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000590447551 438925506 /nfs/dbraw/zinc/92/55/06/438925506.db2.gz YUZOVHOGOBOMBH-HIFRSBDPSA-N 1 1 346.387 0.877 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000590565679 438935062 /nfs/dbraw/zinc/93/50/62/438935062.db2.gz PJNJJYAVWKFSKP-VXGBXAGGSA-N 1 1 337.380 0.572 20 5 ECBDMO O=C1[C@H]([N@@H+]2CCC[C@@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629285 438981993 /nfs/dbraw/zinc/98/19/93/438981993.db2.gz GYKOCVVMONPDOI-ZBFHGGJFSA-N 1 1 335.360 0.519 20 5 ECBDMO O=C1[C@H]([N@H+]2CCC[C@@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629285 438981999 /nfs/dbraw/zinc/98/19/99/438981999.db2.gz GYKOCVVMONPDOI-ZBFHGGJFSA-N 1 1 335.360 0.519 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000602790496 439134065 /nfs/dbraw/zinc/13/40/65/439134065.db2.gz JVNGXLTTXQGSPE-HNNXBMFYSA-N 1 1 336.440 0.812 20 5 ECBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000597627725 439143321 /nfs/dbraw/zinc/14/33/21/439143321.db2.gz WMBUZHSIPQVRHB-AWEZNQCLSA-N 1 1 336.367 0.783 20 5 ECBDMO CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873252 439149260 /nfs/dbraw/zinc/14/92/60/439149260.db2.gz IFYBQYYCDACHKW-KBPBESRZSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873252 439149263 /nfs/dbraw/zinc/14/92/63/439149263.db2.gz IFYBQYYCDACHKW-KBPBESRZSA-N 1 1 325.413 0.814 20 5 ECBDMO C[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000602873252 439149269 /nfs/dbraw/zinc/14/92/69/439149269.db2.gz IFYBQYYCDACHKW-KBPBESRZSA-N 1 1 325.413 0.814 20 5 ECBDMO COC(=O)[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198514 439176073 /nfs/dbraw/zinc/17/60/73/439176073.db2.gz QZMMNAFBCDDZHB-NWDGAFQWSA-N 1 1 337.332 0.050 20 5 ECBDMO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198514 439176079 /nfs/dbraw/zinc/17/60/79/439176079.db2.gz QZMMNAFBCDDZHB-NWDGAFQWSA-N 1 1 337.332 0.050 20 5 ECBDMO C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2noc(C[NH3+])n2)C1=O ZINC000592464536 439234133 /nfs/dbraw/zinc/23/41/33/439234133.db2.gz XABCSCQOARPNSH-AWEZNQCLSA-N 1 1 346.303 0.404 20 5 ECBDMO COC(=O)c1ccnc(N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000598598217 439284122 /nfs/dbraw/zinc/28/41/22/439284122.db2.gz OBFHZMYOZHIWGK-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO O=C(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878608 439259084 /nfs/dbraw/zinc/25/90/84/439259084.db2.gz SINDLFOWYHRZDJ-OLZOCXBDSA-N 1 1 336.396 0.296 20 5 ECBDMO COC[C@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593067088 439337815 /nfs/dbraw/zinc/33/78/15/439337815.db2.gz STSSMLYGZWSPLB-JHJVBQTASA-N 1 1 326.349 0.416 20 5 ECBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593109094 439346450 /nfs/dbraw/zinc/34/64/50/439346450.db2.gz HZWOVFNOEZCNBM-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000593109094 439346454 /nfs/dbraw/zinc/34/64/54/439346454.db2.gz HZWOVFNOEZCNBM-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO Nc1nc(N)[nH+]c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000599052129 439349429 /nfs/dbraw/zinc/34/94/29/439349429.db2.gz MCXUSQKPTHTTGX-UHFFFAOYSA-N 1 1 331.336 0.653 20 5 ECBDMO CCCC[NH+]1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599224698 439391002 /nfs/dbraw/zinc/39/10/02/439391002.db2.gz DSAXZVRPILGCDM-UHFFFAOYSA-N 1 1 345.425 0.871 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)n1 ZINC000599231685 439392221 /nfs/dbraw/zinc/39/22/21/439392221.db2.gz BJRQVKOINXHBDE-UHFFFAOYSA-N 1 1 331.398 0.481 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000599274376 439411781 /nfs/dbraw/zinc/41/17/81/439411781.db2.gz RIDMZRUPEOQESC-VHSXEESVSA-N 1 1 329.382 0.043 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)n1 ZINC000599274376 439411785 /nfs/dbraw/zinc/41/17/85/439411785.db2.gz RIDMZRUPEOQESC-VHSXEESVSA-N 1 1 329.382 0.043 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000583058891 439412976 /nfs/dbraw/zinc/41/29/76/439412976.db2.gz CRACIGKBSPDGLI-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H](CO)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000599531448 439500963 /nfs/dbraw/zinc/50/09/63/439500963.db2.gz XXWSXXDTZIJSPN-AVGNSLFASA-N 1 1 337.376 0.763 20 5 ECBDMO O=c1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599642924 439524388 /nfs/dbraw/zinc/52/43/88/439524388.db2.gz XOKDVTUEFMWCAB-AAEUAGOBSA-N 1 1 334.336 0.485 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000608799914 439545587 /nfs/dbraw/zinc/54/55/87/439545587.db2.gz QRWAQSNCZZNJBG-LLVKDONJSA-N 1 1 336.348 0.742 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000609462920 439571095 /nfs/dbraw/zinc/57/10/95/439571095.db2.gz MVTJDRGNSOMFKH-UHFFFAOYSA-N 1 1 337.380 0.216 20 5 ECBDMO C[NH+]1CCN(CC(=O)Nc2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000609550204 439575670 /nfs/dbraw/zinc/57/56/70/439575670.db2.gz RQLCRFWUCVMZIZ-UHFFFAOYSA-N 1 1 345.363 0.566 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761359 439603910 /nfs/dbraw/zinc/60/39/10/439603910.db2.gz XIINUXWWRYCGQO-MNOVXSKESA-N 1 1 328.394 0.951 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000610369601 439612793 /nfs/dbraw/zinc/61/27/93/439612793.db2.gz UWCWZIOGIZYGND-INIZCTEOSA-N 1 1 334.376 0.689 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600470910 439667781 /nfs/dbraw/zinc/66/77/81/439667781.db2.gz JOWYAJXFDZEKOU-ZDUSSCGKSA-N 1 1 334.376 0.890 20 5 ECBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572440 439707743 /nfs/dbraw/zinc/70/77/43/439707743.db2.gz ARWMPDDJICBGRY-NWDGAFQWSA-N 1 1 336.396 0.956 20 5 ECBDMO COCCNC(=O)C1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595287500 439691622 /nfs/dbraw/zinc/69/16/22/439691622.db2.gz IXHVSDADNNDPAQ-UHFFFAOYSA-N 1 1 326.353 0.866 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000618214137 440074478 /nfs/dbraw/zinc/07/44/78/440074478.db2.gz CPQZRONDZVWOJZ-UHFFFAOYSA-N 1 1 338.412 0.638 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000618214137 440074487 /nfs/dbraw/zinc/07/44/87/440074487.db2.gz CPQZRONDZVWOJZ-UHFFFAOYSA-N 1 1 338.412 0.638 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000618214137 440074492 /nfs/dbraw/zinc/07/44/92/440074492.db2.gz CPQZRONDZVWOJZ-UHFFFAOYSA-N 1 1 338.412 0.638 20 5 ECBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000352571218 321364579 /nfs/dbraw/zinc/36/45/79/321364579.db2.gz RXEMIYVYTMZMRL-CQSZACIVSA-N 1 1 348.403 0.793 20 5 ECBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000352571218 321364580 /nfs/dbraw/zinc/36/45/80/321364580.db2.gz RXEMIYVYTMZMRL-CQSZACIVSA-N 1 1 348.403 0.793 20 5 ECBDMO COc1ccc(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000565887483 322484969 /nfs/dbraw/zinc/48/49/69/322484969.db2.gz RWUIWCVMZKLKOK-CQSZACIVSA-N 1 1 338.408 0.301 20 5 ECBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000750080924 579347347 /nfs/dbraw/zinc/34/73/47/579347347.db2.gz KLMWWEIHCDCXPX-RISCZKNCSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCS(=O)(=O)C1 ZINC000750080924 579347348 /nfs/dbraw/zinc/34/73/48/579347348.db2.gz KLMWWEIHCDCXPX-RISCZKNCSA-N 1 1 328.390 0.995 20 5 ECBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000753951604 579409825 /nfs/dbraw/zinc/40/98/25/579409825.db2.gz XOJFEKAMTIIAOT-ZDUSSCGKSA-N 1 1 326.353 0.834 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000782853886 578734166 /nfs/dbraw/zinc/73/41/66/578734166.db2.gz NCLSELNWGWLHIM-GFCCVEGCSA-N 1 1 334.376 0.796 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000782853886 578734167 /nfs/dbraw/zinc/73/41/67/578734167.db2.gz NCLSELNWGWLHIM-GFCCVEGCSA-N 1 1 334.376 0.796 20 5 ECBDMO CCN1C(=O)CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000782870294 578734611 /nfs/dbraw/zinc/73/46/11/578734611.db2.gz KZVTXWCRGQGKDM-UHFFFAOYSA-N 1 1 336.352 0.670 20 5 ECBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896579626 586259868 /nfs/dbraw/zinc/25/98/68/586259868.db2.gz HRFVYYYVKJKHLB-SWLSCSKDSA-N 1 1 336.392 0.724 20 5 ECBDMO COC(=O)Cc1ccc(N(C)CC[N@@H+](C)CCO)c([N+](=O)[O-])c1 ZINC000894590602 586401439 /nfs/dbraw/zinc/40/14/39/586401439.db2.gz JMEQCFHLXZFJPZ-UHFFFAOYSA-N 1 1 325.365 0.671 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000894958191 586420924 /nfs/dbraw/zinc/42/09/24/586420924.db2.gz NIIBMXGCPREMCR-UHFFFAOYSA-N 1 1 327.772 0.853 20 5 ECBDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715151 586890071 /nfs/dbraw/zinc/89/00/71/586890071.db2.gz OEWPLJZHFWZZGP-BFHYXJOUSA-N 1 1 341.408 0.918 20 5 ECBDMO CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715151 586890073 /nfs/dbraw/zinc/89/00/73/586890073.db2.gz OEWPLJZHFWZZGP-BFHYXJOUSA-N 1 1 341.408 0.918 20 5 ECBDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715151 586890074 /nfs/dbraw/zinc/89/00/74/586890074.db2.gz OEWPLJZHFWZZGP-BFHYXJOUSA-N 1 1 341.408 0.918 20 5 ECBDMO COc1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000813742056 587261343 /nfs/dbraw/zinc/26/13/43/587261343.db2.gz XXWXSSVCRRTWQX-ZWNOBZJWSA-N 1 1 341.389 0.928 20 5 ECBDMO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000820456349 587534547 /nfs/dbraw/zinc/53/45/47/587534547.db2.gz SYIWBQBBNBRWMC-NOZJJQNGSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000820456349 587534549 /nfs/dbraw/zinc/53/45/49/587534549.db2.gz SYIWBQBBNBRWMC-NOZJJQNGSA-N 1 1 333.352 0.906 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cs1 ZINC000831810447 588451335 /nfs/dbraw/zinc/45/13/35/588451335.db2.gz PSWRTZILWFXBJS-SNVBAGLBSA-N 1 1 349.434 0.781 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cs1 ZINC000831810447 588451336 /nfs/dbraw/zinc/45/13/36/588451336.db2.gz PSWRTZILWFXBJS-SNVBAGLBSA-N 1 1 349.434 0.781 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1F ZINC000832208198 588474751 /nfs/dbraw/zinc/47/47/51/588474751.db2.gz ZTVQFIUODPTRAP-AWEZNQCLSA-N 1 1 329.303 0.978 20 5 ECBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000854568474 589593545 /nfs/dbraw/zinc/59/35/45/589593545.db2.gz AXBMAYWHVKGJCD-NSHDSACASA-N 1 1 349.391 0.897 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641696 589597738 /nfs/dbraw/zinc/59/77/38/589597738.db2.gz FBGGNCRJZMBXTA-OAGGEKHMSA-N 1 1 349.387 0.950 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000860161299 589749669 /nfs/dbraw/zinc/74/96/69/589749669.db2.gz BPAIMDQZXPNICL-DGCLKSJQSA-N 1 1 331.328 0.589 20 5 ECBDMO O=C(C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000860161299 589749670 /nfs/dbraw/zinc/74/96/70/589749670.db2.gz BPAIMDQZXPNICL-DGCLKSJQSA-N 1 1 331.328 0.589 20 5 ECBDMO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858572214 589757777 /nfs/dbraw/zinc/75/77/77/589757777.db2.gz QDAQFICUMHMWDR-VIFPVBQESA-N 1 1 343.409 0.318 20 5 ECBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000868343994 589894338 /nfs/dbraw/zinc/89/43/38/589894338.db2.gz MRCBWAWTHIPRRJ-STQMWFEESA-N 1 1 337.351 0.944 20 5 ECBDMO Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589438 611356509 /nfs/dbraw/zinc/35/65/09/611356509.db2.gz ZHYIQATVERSEEI-QVHKTLOISA-N 1 1 349.391 0.714 20 5 ECBDMO Cc1nonc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589438 611356510 /nfs/dbraw/zinc/35/65/10/611356510.db2.gz ZHYIQATVERSEEI-QVHKTLOISA-N 1 1 349.391 0.714 20 5 ECBDMO Cc1nonc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589438 611356511 /nfs/dbraw/zinc/35/65/11/611356511.db2.gz ZHYIQATVERSEEI-QVHKTLOISA-N 1 1 349.391 0.714 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928092206 611672805 /nfs/dbraw/zinc/67/28/05/611672805.db2.gz GZFCXPCXQANSBB-MNOVXSKESA-N 1 1 325.394 0.487 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000916618259 609944184 /nfs/dbraw/zinc/94/41/84/609944184.db2.gz JPIMMLXCPHXZAH-SNVBAGLBSA-N 1 1 325.321 0.897 20 5 ECBDMO C[N@H+]1CC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000925432529 609956406 /nfs/dbraw/zinc/95/64/06/609956406.db2.gz SZUDUNIWBIPBBH-LBPRGKRZSA-N 1 1 334.380 0.526 20 5 ECBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164683734 719725598 /nfs/dbraw/zinc/72/55/98/719725598.db2.gz FAVMNMBRJUGXMS-UHFFFAOYSA-N 1 1 348.407 0.753 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC(n2cc(C[NH2+]CCC3CC3)nn2)C1 ZINC001105235888 741528193 /nfs/dbraw/zinc/52/81/93/741528193.db2.gz YNWXEVMUNBFHLH-ZIAGYGMSSA-N 1 1 334.380 0.216 20 5 ECBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCn1cccn1)C2 ZINC000982279044 751851008 /nfs/dbraw/zinc/85/10/08/751851008.db2.gz ZWXXBGPOBSOUKH-SRABZTEZSA-N 1 1 347.419 0.719 20 5 ECBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCn1cccn1)C2 ZINC000982279044 751851017 /nfs/dbraw/zinc/85/10/17/751851017.db2.gz ZWXXBGPOBSOUKH-SRABZTEZSA-N 1 1 347.419 0.719 20 5 ECBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCn1cccn1)C2 ZINC000982279044 751851025 /nfs/dbraw/zinc/85/10/25/751851025.db2.gz ZWXXBGPOBSOUKH-SRABZTEZSA-N 1 1 347.419 0.719 20 5 ECBDMO Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997770898 743800895 /nfs/dbraw/zinc/80/08/95/743800895.db2.gz ALOYRMUTKPIMBS-UKRRQHHQSA-N 1 1 333.392 0.778 20 5 ECBDMO COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sn1 ZINC000983655145 745002280 /nfs/dbraw/zinc/00/22/80/745002280.db2.gz QLGSEGALLBKMKW-CNVPUSNMSA-N 1 1 340.405 0.801 20 5 ECBDMO O=C(NC1(C2CC[NH+](CCn3cncn3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000150130 745294316 /nfs/dbraw/zinc/29/43/16/745294316.db2.gz NWVYXCWQDXGYNL-ZIAGYGMSSA-N 1 1 348.407 0.304 20 5 ECBDMO C[NH+]1CCC(C(=O)NC[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000979987954 748783387 /nfs/dbraw/zinc/78/33/87/748783387.db2.gz OXJSOHHEROXAFM-FMKGYKFTSA-N 1 1 338.408 0.004 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC001059769095 750509660 /nfs/dbraw/zinc/50/96/60/750509660.db2.gz DYBBJWFQGSUXRG-AOOOYVTPSA-N 1 1 346.351 0.231 20 5 ECBDMO O=C(Cc1nnc[nH]1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989452467 753955144 /nfs/dbraw/zinc/95/51/44/753955144.db2.gz AQYAJHWAZKGTTC-UHFFFAOYSA-N 1 1 344.375 0.990 20 5 ECBDMO O=C(Cc1nnc[nH]1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989452467 753955148 /nfs/dbraw/zinc/95/51/48/753955148.db2.gz AQYAJHWAZKGTTC-UHFFFAOYSA-N 1 1 344.375 0.990 20 5 ECBDMO CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCC1 ZINC001126936476 756761223 /nfs/dbraw/zinc/76/12/23/756761223.db2.gz JYQHWTBOLQQCGO-ZIAGYGMSSA-N 1 1 340.424 0.537 20 5 ECBDMO Cc1cc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814718 757082659 /nfs/dbraw/zinc/08/26/59/757082659.db2.gz ZPGYEBHSWKODSA-QKPAOTATSA-N 1 1 347.419 0.555 20 5 ECBDMO Cc1cc(C)n(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814718 757082667 /nfs/dbraw/zinc/08/26/67/757082667.db2.gz ZPGYEBHSWKODSA-QKPAOTATSA-N 1 1 347.419 0.555 20 5 ECBDMO Cc1cc(C)n(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814718 757082672 /nfs/dbraw/zinc/08/26/72/757082672.db2.gz ZPGYEBHSWKODSA-QKPAOTATSA-N 1 1 347.419 0.555 20 5 ECBDMO Cn1c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nc2ccccc21 ZINC001022064167 758227717 /nfs/dbraw/zinc/22/77/17/758227717.db2.gz YZVQLSCOEYQPRT-NWJSVONSSA-N 1 1 343.387 0.975 20 5 ECBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525079 760662411 /nfs/dbraw/zinc/66/24/11/760662411.db2.gz JYZDIHKKLOUQHL-YIDVYQOGSA-N 1 1 347.419 0.908 20 5 ECBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525079 760662415 /nfs/dbraw/zinc/66/24/15/760662415.db2.gz JYZDIHKKLOUQHL-YIDVYQOGSA-N 1 1 347.419 0.908 20 5 ECBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cccn1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525079 760662419 /nfs/dbraw/zinc/66/24/19/760662419.db2.gz JYZDIHKKLOUQHL-YIDVYQOGSA-N 1 1 347.419 0.908 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ccnn1C1CCC1 ZINC001127534950 766341300 /nfs/dbraw/zinc/34/13/00/766341300.db2.gz UZUGDJUVNOXBJZ-UHFFFAOYSA-N 1 1 347.379 0.769 20 5 ECBDMO Cc1c(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)ccc2c[nH+]cn21 ZINC000995011065 767412103 /nfs/dbraw/zinc/41/21/03/767412103.db2.gz FKEAKGWGZUJFTI-ZIAGYGMSSA-N 1 1 343.343 0.249 20 5 ECBDMO Cn1cncc1C[NH+]1CCC2(CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001040699409 783295329 /nfs/dbraw/zinc/29/53/29/783295329.db2.gz CLCHKPNJFUMYPX-HUUCEWRRSA-N 1 1 347.419 0.900 20 5 ECBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000153514825 530053186 /nfs/dbraw/zinc/05/31/86/530053186.db2.gz FIRLNUYFTGZYSP-LBPRGKRZSA-N 1 1 336.396 0.560 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[NH+](C[C@@H](C)O)CC2)c(C)c1[N+](=O)[O-] ZINC000186868575 236048253 /nfs/dbraw/zinc/04/82/53/236048253.db2.gz LYUIHSHHVBEOLJ-LLVKDONJSA-N 1 1 339.396 0.323 20 5 ECBDMO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000193616063 240235502 /nfs/dbraw/zinc/23/55/02/240235502.db2.gz PWQJIIKJUWSSLG-GWCFXTLKSA-N 1 1 341.389 0.483 20 5 ECBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000356428789 299387409 /nfs/dbraw/zinc/38/74/09/299387409.db2.gz PNMVADJZSRXOBL-UHFFFAOYSA-N 1 1 338.412 0.332 20 5 ECBDMO NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075740301 203322392 /nfs/dbraw/zinc/32/23/92/203322392.db2.gz KPFXWZWRUIHKFX-AWEZNQCLSA-N 1 1 333.348 0.140 20 5 ECBDMO NC(=O)C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075740301 203322395 /nfs/dbraw/zinc/32/23/95/203322395.db2.gz KPFXWZWRUIHKFX-AWEZNQCLSA-N 1 1 333.348 0.140 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1C[C@H](C)O ZINC000245972977 205169759 /nfs/dbraw/zinc/16/97/59/205169759.db2.gz WPBVQTYNZXHIMW-WDEREUQCSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1C[C@H](C)O ZINC000245972977 205169763 /nfs/dbraw/zinc/16/97/63/205169763.db2.gz WPBVQTYNZXHIMW-WDEREUQCSA-N 1 1 325.369 0.246 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3ccccn3)CC2)c1 ZINC000266449235 248306913 /nfs/dbraw/zinc/30/69/13/248306913.db2.gz ODDNGZMVEHWCFE-INIZCTEOSA-N 1 1 346.391 0.365 20 5 ECBDMO Cc1nc(N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000450270897 211316974 /nfs/dbraw/zinc/31/69/74/211316974.db2.gz UXFCVRNWBFXRGW-GFCCVEGCSA-N 1 1 334.380 0.436 20 5 ECBDMO NC(=O)C[C@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411885453 208159170 /nfs/dbraw/zinc/15/91/70/208159170.db2.gz XXPCJKGIRKWMHB-ZDUSSCGKSA-N 1 1 336.348 0.500 20 5 ECBDMO NC(=O)C[C@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411885453 208159177 /nfs/dbraw/zinc/15/91/77/208159177.db2.gz XXPCJKGIRKWMHB-ZDUSSCGKSA-N 1 1 336.348 0.500 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411910228 208165263 /nfs/dbraw/zinc/16/52/63/208165263.db2.gz LMYLZXBNPRKENX-SOUVJXGZSA-N 1 1 335.360 0.782 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411910228 208165268 /nfs/dbraw/zinc/16/52/68/208165268.db2.gz LMYLZXBNPRKENX-SOUVJXGZSA-N 1 1 335.360 0.782 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073656804 296615125 /nfs/dbraw/zinc/61/51/25/296615125.db2.gz XRGPNSCUGIYSAD-UHFFFAOYSA-N 1 1 335.364 0.927 20 5 ECBDMO C[C@@](O)(CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080928201 296625764 /nfs/dbraw/zinc/62/57/64/296625764.db2.gz SYQBKZNFZMXVDQ-BBOMDTFKSA-N 1 1 349.387 0.807 20 5 ECBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000248957560 165191638 /nfs/dbraw/zinc/19/16/38/165191638.db2.gz ATYVCLHCGGGASB-KGYLQXTDSA-N 1 1 326.353 0.283 20 5 ECBDMO C[C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000122184150 222032308 /nfs/dbraw/zinc/03/23/08/222032308.db2.gz FZDHTYUNGXUCHC-ZDUSSCGKSA-N 1 1 335.408 0.759 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000194922533 263169966 /nfs/dbraw/zinc/16/99/66/263169966.db2.gz ZXRDZQSOKPDTLP-UHFFFAOYSA-N 1 1 339.396 0.717 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000194922533 263169967 /nfs/dbraw/zinc/16/99/67/263169967.db2.gz ZXRDZQSOKPDTLP-UHFFFAOYSA-N 1 1 339.396 0.717 20 5 ECBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(CO)CO ZINC000269702916 263198385 /nfs/dbraw/zinc/19/83/85/263198385.db2.gz MPUJUGDYGYNGNN-UHFFFAOYSA-N 1 1 326.349 0.884 20 5 ECBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)(CO)CO ZINC000269702916 263198386 /nfs/dbraw/zinc/19/83/86/263198386.db2.gz MPUJUGDYGYNGNN-UHFFFAOYSA-N 1 1 326.349 0.884 20 5 ECBDMO COC(=O)C1CC[NH+](CCCNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000270688506 263263147 /nfs/dbraw/zinc/26/31/47/263263147.db2.gz GVBDYITVPNGVDW-UHFFFAOYSA-N 1 1 339.352 0.323 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270731034 263267295 /nfs/dbraw/zinc/26/72/95/263267295.db2.gz CJXYTZFQUKCDCO-PHIMTYICSA-N 1 1 325.369 0.557 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+](C)CCN2C)c1 ZINC000283987358 264176840 /nfs/dbraw/zinc/17/68/40/264176840.db2.gz MXACXMDVSXNBDN-LBPRGKRZSA-N 1 1 336.392 0.969 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000283987358 264176842 /nfs/dbraw/zinc/17/68/42/264176842.db2.gz MXACXMDVSXNBDN-LBPRGKRZSA-N 1 1 336.392 0.969 20 5 ECBDMO CNC(=O)c1ccc(N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000284556059 264226825 /nfs/dbraw/zinc/22/68/25/264226825.db2.gz MXLPESSMARFMQY-GJZGRUSLSA-N 1 1 334.376 0.864 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284852262 264245862 /nfs/dbraw/zinc/24/58/62/264245862.db2.gz CYELUMFDRSPKBW-STQMWFEESA-N 1 1 338.339 0.861 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296083322 265093384 /nfs/dbraw/zinc/09/33/84/265093384.db2.gz FGFNBFBCGUKJKN-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296083322 265093387 /nfs/dbraw/zinc/09/33/87/265093387.db2.gz FGFNBFBCGUKJKN-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO NC(=O)NC(=O)CCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298053110 265220247 /nfs/dbraw/zinc/22/02/47/265220247.db2.gz IZWHGTKYQXGQEC-UHFFFAOYSA-N 1 1 336.352 0.087 20 5 ECBDMO Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000298844632 265288577 /nfs/dbraw/zinc/28/85/77/265288577.db2.gz IEYLMNIOPURSKS-TXEJJXNPSA-N 1 1 332.360 0.862 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCNC2=O)c([N+](=O)[O-])c1 ZINC000340223477 437610494 /nfs/dbraw/zinc/61/04/94/437610494.db2.gz VNTPCGYCGDQNSM-LBPRGKRZSA-N 1 1 336.348 0.752 20 5 ECBDMO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337209447 297185268 /nfs/dbraw/zinc/18/52/68/297185268.db2.gz AXSYUAQTAXHHGT-VHDGCEQUSA-N 1 1 335.360 0.545 20 5 ECBDMO CCn1cc(S(=O)(=O)NCCCn2cc[nH+]c2C)c([N+](=O)[O-])n1 ZINC000337958836 297229027 /nfs/dbraw/zinc/22/90/27/297229027.db2.gz MMPCIAFQVZALBY-UHFFFAOYSA-N 1 1 342.381 0.685 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000346649096 298312100 /nfs/dbraw/zinc/31/21/00/298312100.db2.gz GJNHWNYCIDXKBF-VLXAULBPSA-N 1 1 349.387 0.920 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069743513 435962339 /nfs/dbraw/zinc/96/23/39/435962339.db2.gz LAHFGYDRVGSHNB-GFCCVEGCSA-N 1 1 337.380 0.811 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)Cn3cccn3)C2)nc1 ZINC000072665158 436052554 /nfs/dbraw/zinc/05/25/54/436052554.db2.gz AXSFKCUTNSSZGP-GXTWGEPZSA-N 1 1 332.364 0.734 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075724370 436173028 /nfs/dbraw/zinc/17/30/28/436173028.db2.gz YTMBQARYHICORO-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO CNC(=O)C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000027966271 436184484 /nfs/dbraw/zinc/18/44/84/436184484.db2.gz SFFDBPBQYLKPPY-UHFFFAOYSA-N 1 1 346.387 0.942 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000044687871 436345376 /nfs/dbraw/zinc/34/53/76/436345376.db2.gz IHGHVKGJOHCKJV-VXGBXAGGSA-N 1 1 339.396 0.795 20 5 ECBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000083246458 436370176 /nfs/dbraw/zinc/37/01/76/436370176.db2.gz IKZRLENXLPKIHS-CQSZACIVSA-N 1 1 339.392 0.599 20 5 ECBDMO COCCOC[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550970 436432855 /nfs/dbraw/zinc/43/28/55/436432855.db2.gz BAOOJKNRBBRBPO-CYBMUJFWSA-N 1 1 325.365 0.741 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@@H+](C)CC1 ZINC000097617503 436544666 /nfs/dbraw/zinc/54/46/66/436544666.db2.gz ZGFBXIJWYJOVOL-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536011868 302132360 /nfs/dbraw/zinc/13/23/60/302132360.db2.gz VHZJYXGPYMVDRF-AWEZNQCLSA-N 1 1 347.419 0.908 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2nccc2[N+](=O)[O-])C1 ZINC000119717422 436671974 /nfs/dbraw/zinc/67/19/74/436671974.db2.gz DMDQETHSANVDTB-GFCCVEGCSA-N 1 1 325.369 0.264 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000147649972 436682037 /nfs/dbraw/zinc/68/20/37/436682037.db2.gz WSYHZUOPBZJXJX-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000068336814 436741822 /nfs/dbraw/zinc/74/18/22/436741822.db2.gz XWEDJMCNXGUFRX-UHFFFAOYSA-N 1 1 348.363 0.484 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000273279661 436742329 /nfs/dbraw/zinc/74/23/29/436742329.db2.gz DDCZAHYCAWTMQT-GFCCVEGCSA-N 1 1 328.365 0.257 20 5 ECBDMO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000124547235 436753762 /nfs/dbraw/zinc/75/37/62/436753762.db2.gz WVNZOMAIEXFDQP-GFCCVEGCSA-N 1 1 336.396 0.995 20 5 ECBDMO CC[N@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154873286 436787480 /nfs/dbraw/zinc/78/74/80/436787480.db2.gz VOBNKZUQDAZVBK-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000273978221 436791596 /nfs/dbraw/zinc/79/15/96/436791596.db2.gz QDNWWOJOZNAXCF-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000293893721 436916924 /nfs/dbraw/zinc/91/69/24/436916924.db2.gz LZBKAFNOHMXJMI-UONOGXRCSA-N 1 1 337.380 0.503 20 5 ECBDMO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000161410806 436890577 /nfs/dbraw/zinc/89/05/77/436890577.db2.gz CKGJIJMNXBITOG-LBPRGKRZSA-N 1 1 335.357 0.325 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000262074340 436905457 /nfs/dbraw/zinc/90/54/57/436905457.db2.gz PSWQPMSEYSMXJO-LLVKDONJSA-N 1 1 336.396 0.390 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000295624118 436975455 /nfs/dbraw/zinc/97/54/55/436975455.db2.gz YXCYBAMQAAJOLE-CYBMUJFWSA-N 1 1 337.376 0.937 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000275535638 436981215 /nfs/dbraw/zinc/98/12/15/436981215.db2.gz KZNKXJGOBYHVPK-CQSZACIVSA-N 1 1 340.376 0.808 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280935523 436934252 /nfs/dbraw/zinc/93/42/52/436934252.db2.gz HLJYWYCVPBJXAD-CVEARBPZSA-N 1 1 347.375 0.838 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOCCO ZINC000282636653 437018039 /nfs/dbraw/zinc/01/80/39/437018039.db2.gz YZMVMSZNQVBFQT-LLVKDONJSA-N 1 1 341.364 0.871 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCCO ZINC000282636653 437018043 /nfs/dbraw/zinc/01/80/43/437018043.db2.gz YZMVMSZNQVBFQT-LLVKDONJSA-N 1 1 341.364 0.871 20 5 ECBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000264383387 437023911 /nfs/dbraw/zinc/02/39/11/437023911.db2.gz FSXNOEVXUOVSDH-GFCCVEGCSA-N 1 1 335.412 0.573 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000264475646 437035332 /nfs/dbraw/zinc/03/53/32/437035332.db2.gz HCEVAOQXODDABB-CQSZACIVSA-N 1 1 334.376 0.973 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOCCO ZINC000282497638 437013572 /nfs/dbraw/zinc/01/35/72/437013572.db2.gz NJJIAUWEBWIWHE-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297716074 437014307 /nfs/dbraw/zinc/01/43/07/437014307.db2.gz BEHZQJRLNPGSHQ-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000298626223 437045282 /nfs/dbraw/zinc/04/52/82/437045282.db2.gz VINJOLJKMXKFDW-LLVKDONJSA-N 1 1 341.364 0.607 20 5 ECBDMO Cc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000264565768 437046571 /nfs/dbraw/zinc/04/65/71/437046571.db2.gz RJOFURMNVFCKGP-CYBMUJFWSA-N 1 1 334.376 0.973 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000299317366 437068967 /nfs/dbraw/zinc/06/89/67/437068967.db2.gz ZLDGWALBPJHVAI-UHFFFAOYSA-N 1 1 349.391 0.333 20 5 ECBDMO Cc1nn(CCC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000264775237 437082318 /nfs/dbraw/zinc/08/23/18/437082318.db2.gz QUGODLOIWHVULY-ZDUSSCGKSA-N 1 1 338.412 0.160 20 5 ECBDMO Cc1nn(CCC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)c1[N+](=O)[O-] ZINC000264775234 437081913 /nfs/dbraw/zinc/08/19/13/437081913.db2.gz QUGODLOIWHVULY-CYBMUJFWSA-N 1 1 338.412 0.160 20 5 ECBDMO CC[N@@H+](C)[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302779390 437151673 /nfs/dbraw/zinc/15/16/73/437151673.db2.gz QTDAZZDTLONNQL-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000276742147 437155420 /nfs/dbraw/zinc/15/54/20/437155420.db2.gz GEPNJUIJTXKZIO-ZDUSSCGKSA-N 1 1 340.376 0.808 20 5 ECBDMO CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000331884030 437174394 /nfs/dbraw/zinc/17/43/94/437174394.db2.gz FKWLNIYHOSYNGB-GJZGRUSLSA-N 1 1 334.376 0.938 20 5 ECBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177806918 437198070 /nfs/dbraw/zinc/19/80/70/437198070.db2.gz ITMHAZNNUFKYSC-OLZOCXBDSA-N 1 1 334.376 0.842 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1C ZINC000319118837 437199104 /nfs/dbraw/zinc/19/91/04/437199104.db2.gz DDIIRSFTSUHQNR-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO C[NH+]1CCN(C(=O)CCn2cnc3cc([N+](=O)[O-])ccc3c2=O)CC1 ZINC000332421787 437221850 /nfs/dbraw/zinc/22/18/50/437221850.db2.gz CNPCXQMKHLSQTK-UHFFFAOYSA-N 1 1 345.359 0.469 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266264247 437223184 /nfs/dbraw/zinc/22/31/84/437223184.db2.gz PTPMKBBKPDQEOS-LBPRGKRZSA-N 1 1 338.389 0.693 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267937146 437345175 /nfs/dbraw/zinc/34/51/75/437345175.db2.gz GTDFRWLAUDJFHV-LLVKDONJSA-N 1 1 337.380 0.675 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267959615 437346825 /nfs/dbraw/zinc/34/68/25/437346825.db2.gz CCCLEALHMHQJJI-OAHLLOKOSA-N 1 1 348.403 0.983 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000278970492 437360835 /nfs/dbraw/zinc/36/08/35/437360835.db2.gz CIPASPFLGOPPER-SNVBAGLBSA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1cc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc([N+](=O)[O-])c1 ZINC000186630572 437479131 /nfs/dbraw/zinc/47/91/31/437479131.db2.gz RFEQZESNSPHVQY-AWEZNQCLSA-N 1 1 346.387 0.940 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)n1 ZINC000289706360 437435769 /nfs/dbraw/zinc/43/57/69/437435769.db2.gz RFTRPEDBDYSGMW-UHFFFAOYSA-N 1 1 332.320 0.826 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000354020782 437507904 /nfs/dbraw/zinc/50/79/04/437507904.db2.gz UMYLMQJMYGGBCO-UHFFFAOYSA-N 1 1 337.380 0.462 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000331219590 437720158 /nfs/dbraw/zinc/72/01/58/437720158.db2.gz ASYPUQQKRVSIPZ-NSHDSACASA-N 1 1 345.425 0.962 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000331219590 437720161 /nfs/dbraw/zinc/72/01/61/437720161.db2.gz ASYPUQQKRVSIPZ-NSHDSACASA-N 1 1 345.425 0.962 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364938009 437829300 /nfs/dbraw/zinc/82/93/00/437829300.db2.gz SKGTVXVHOMWOJK-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3[C@H](CO)CC[C@H]3CO)n2)cc1 ZINC000347350678 437875943 /nfs/dbraw/zinc/87/59/43/437875943.db2.gz WYTSATCNKMJYKO-STQMWFEESA-N 1 1 334.332 0.962 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098156 437832552 /nfs/dbraw/zinc/83/25/52/437832552.db2.gz LKHFOBWIVBEIEB-NSHDSACASA-N 1 1 339.396 0.970 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098156 437832557 /nfs/dbraw/zinc/83/25/57/437832557.db2.gz LKHFOBWIVBEIEB-NSHDSACASA-N 1 1 339.396 0.970 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098156 437832561 /nfs/dbraw/zinc/83/25/61/437832561.db2.gz LKHFOBWIVBEIEB-NSHDSACASA-N 1 1 339.396 0.970 20 5 ECBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416317258 437915487 /nfs/dbraw/zinc/91/54/87/437915487.db2.gz WSFZVAPEASBPLU-MNOVXSKESA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416317258 437915492 /nfs/dbraw/zinc/91/54/92/437915492.db2.gz WSFZVAPEASBPLU-MNOVXSKESA-N 1 1 337.380 0.559 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000416287470 437902328 /nfs/dbraw/zinc/90/23/28/437902328.db2.gz BZUGMEPMMPRPSB-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000416287470 437902333 /nfs/dbraw/zinc/90/23/33/437902333.db2.gz BZUGMEPMMPRPSB-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+]2CCN1CCC2 ZINC000371268330 437909196 /nfs/dbraw/zinc/90/91/96/437909196.db2.gz JDTHBSNMEOAOIH-CYBMUJFWSA-N 1 1 330.348 0.800 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416492645 437943847 /nfs/dbraw/zinc/94/38/47/437943847.db2.gz AQJCJVJEXFPSMK-SNVBAGLBSA-N 1 1 329.378 0.833 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1)C1CC1 ZINC000357444150 437990771 /nfs/dbraw/zinc/99/07/71/437990771.db2.gz XLMFGINPVOVZLY-GFCCVEGCSA-N 1 1 334.336 0.404 20 5 ECBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284257 438041483 /nfs/dbraw/zinc/04/14/83/438041483.db2.gz PNCYVKHDNWJIPU-GDBMZVCRSA-N 1 1 337.424 0.816 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342362286 438012042 /nfs/dbraw/zinc/01/20/42/438012042.db2.gz ZTXHYEYFLVGGOG-LBPRGKRZSA-N 1 1 335.364 0.927 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000342952093 438092675 /nfs/dbraw/zinc/09/26/75/438092675.db2.gz VPHSAWCLADEFHU-LBPRGKRZSA-N 1 1 339.396 0.603 20 5 ECBDMO O=C([C@H]1CCCO1)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712094 438107407 /nfs/dbraw/zinc/10/74/07/438107407.db2.gz DXYBFCVRVIGKTN-CYBMUJFWSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@H]1CCCO1)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372712094 438107410 /nfs/dbraw/zinc/10/74/10/438107410.db2.gz DXYBFCVRVIGKTN-CYBMUJFWSA-N 1 1 337.380 0.505 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368057671 438282448 /nfs/dbraw/zinc/28/24/48/438282448.db2.gz VHKSPGLIXCWCMG-JQWIXIFHSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368057671 438282452 /nfs/dbraw/zinc/28/24/52/438282452.db2.gz VHKSPGLIXCWCMG-JQWIXIFHSA-N 1 1 348.359 0.610 20 5 ECBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000368486830 438336868 /nfs/dbraw/zinc/33/68/68/438336868.db2.gz DRGLOYQGUSJZEX-INIZCTEOSA-N 1 1 332.404 0.986 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000368859104 438392399 /nfs/dbraw/zinc/39/23/99/438392399.db2.gz FHBYLGPPEDOLSY-UKRRQHHQSA-N 1 1 335.360 0.953 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368859102 438393643 /nfs/dbraw/zinc/39/36/43/438393643.db2.gz FHBYLGPPEDOLSY-DZGCQCFKSA-N 1 1 335.360 0.953 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNC1=O ZINC000440490171 438554774 /nfs/dbraw/zinc/55/47/74/438554774.db2.gz FBZKXSLFWWULMO-SNVBAGLBSA-N 1 1 334.336 0.028 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCNC1=O ZINC000440490171 438554777 /nfs/dbraw/zinc/55/47/77/438554777.db2.gz FBZKXSLFWWULMO-SNVBAGLBSA-N 1 1 334.336 0.028 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452355899 438654972 /nfs/dbraw/zinc/65/49/72/438654972.db2.gz ZFAYHGIIHIYHIQ-ZDUSSCGKSA-N 1 1 337.376 0.937 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000451871488 438610300 /nfs/dbraw/zinc/61/03/00/438610300.db2.gz RQHXAJCDUSIHAT-GXFFZTMASA-N 1 1 341.389 0.928 20 5 ECBDMO CNC(=O)c1ccc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450791590 438692824 /nfs/dbraw/zinc/69/28/24/438692824.db2.gz MOZMGUNDRRQWBW-TXEJJXNPSA-N 1 1 336.392 0.846 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000574771782 438720465 /nfs/dbraw/zinc/72/04/65/438720465.db2.gz WKVBODMFBVDIKU-VIFPVBQESA-N 1 1 342.377 0.305 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455984268 438755628 /nfs/dbraw/zinc/75/56/28/438755628.db2.gz BQWRYVISJUKGIQ-NSHDSACASA-N 1 1 337.380 0.560 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000456160048 438759496 /nfs/dbraw/zinc/75/94/96/438759496.db2.gz GGNVDJDUAOWULA-CORIIIEPSA-N 1 1 346.387 0.876 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(N)c([N+](=O)[O-])c(CO)c3)CC2)C1 ZINC000587979563 438811691 /nfs/dbraw/zinc/81/16/91/438811691.db2.gz JKHWNGDJXMYRNP-AWEZNQCLSA-N 1 1 349.435 0.886 20 5 ECBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595850811 438871099 /nfs/dbraw/zinc/87/10/99/438871099.db2.gz POUKIECFXJKBEJ-GXTWGEPZSA-N 1 1 339.396 0.389 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865134 438872328 /nfs/dbraw/zinc/87/23/28/438872328.db2.gz ZQWBMDCPDHKXND-HNNXBMFYSA-N 1 1 336.392 0.288 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000589930061 438894046 /nfs/dbraw/zinc/89/40/46/438894046.db2.gz RQPWOQMYPXOFKS-ZJUUUORDSA-N 1 1 329.382 0.136 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])n1 ZINC000589930061 438894052 /nfs/dbraw/zinc/89/40/52/438894052.db2.gz RQPWOQMYPXOFKS-ZJUUUORDSA-N 1 1 329.382 0.136 20 5 ECBDMO COCC[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596062176 438921144 /nfs/dbraw/zinc/92/11/44/438921144.db2.gz IJLMTFUKTTWBND-UHFFFAOYSA-N 1 1 344.393 0.011 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)CNc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590564238 438932144 /nfs/dbraw/zinc/93/21/44/438932144.db2.gz YYAQUFKBOMIILG-UHFFFAOYSA-N 1 1 347.419 0.713 20 5 ECBDMO CNC(=O)c1ccc(N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000590567649 438933958 /nfs/dbraw/zinc/93/39/58/438933958.db2.gz AELXNHBXYYSACJ-UHFFFAOYSA-N 1 1 334.376 0.723 20 5 ECBDMO CNC(=O)c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000596537211 438973655 /nfs/dbraw/zinc/97/36/55/438973655.db2.gz CQYBRQSXGOFHDG-AWEZNQCLSA-N 1 1 348.403 0.990 20 5 ECBDMO CNc1nccc(C(=O)NCCCNc2ccc(C)c[nH+]2)c1[N+](=O)[O-] ZINC000518997384 439020135 /nfs/dbraw/zinc/02/01/35/439020135.db2.gz VYPSCOLIOSAJQD-UHFFFAOYSA-N 1 1 344.375 0.811 20 5 ECBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000602158671 439027000 /nfs/dbraw/zinc/02/70/00/439027000.db2.gz OVRNUMHCIKBMOI-ZDUSSCGKSA-N 1 1 333.392 0.980 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000591746478 439079811 /nfs/dbraw/zinc/07/98/11/439079811.db2.gz PMWUDYOKWQIDCS-LBPRGKRZSA-N 1 1 334.336 0.446 20 5 ECBDMO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000591756739 439080598 /nfs/dbraw/zinc/08/05/98/439080598.db2.gz XMGSZQFXZUNGGF-MRXNPFEDSA-N 1 1 333.392 0.874 20 5 ECBDMO C[N@H+](Cc1ccccc1)C[C@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000591756739 439080601 /nfs/dbraw/zinc/08/06/01/439080601.db2.gz XMGSZQFXZUNGGF-MRXNPFEDSA-N 1 1 333.392 0.874 20 5 ECBDMO COC(=O)C(C)(C)N1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602811547 439140435 /nfs/dbraw/zinc/14/04/35/439140435.db2.gz LZLXKXNJJXPZHH-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000597680163 439158153 /nfs/dbraw/zinc/15/81/53/439158153.db2.gz WGIRKOMWYUFRQX-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO Nc1c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cccc1[N+](=O)[O-] ZINC000598452280 439264310 /nfs/dbraw/zinc/26/43/10/439264310.db2.gz INGCAMGPXCWUHV-LBPRGKRZSA-N 1 1 334.376 0.848 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000491118242 439332229 /nfs/dbraw/zinc/33/22/29/439332229.db2.gz BYLDRDKDBWPKOU-QMMMGPOBSA-N 1 1 333.341 0.725 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000491118242 439332235 /nfs/dbraw/zinc/33/22/35/439332235.db2.gz BYLDRDKDBWPKOU-QMMMGPOBSA-N 1 1 333.341 0.725 20 5 ECBDMO CCc1ccc(S(=O)(=O)NCC[N@@H+](CC)CCO)cc1[N+](=O)[O-] ZINC000568979196 439292980 /nfs/dbraw/zinc/29/29/80/439292980.db2.gz JJDDHCIDZWXNIM-UHFFFAOYSA-N 1 1 345.421 0.750 20 5 ECBDMO COc1ccc(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000599016946 439346540 /nfs/dbraw/zinc/34/65/40/439346540.db2.gz SAQADSKIFFVPHE-UHFFFAOYSA-N 1 1 344.393 0.184 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000599046790 439349142 /nfs/dbraw/zinc/34/91/42/439349142.db2.gz QTJFVWLHTWKGGW-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO C[C@H](CNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000599216967 439386157 /nfs/dbraw/zinc/38/61/57/439386157.db2.gz WVWRJZSVYUGISM-WDEREUQCSA-N 1 1 345.425 0.727 20 5 ECBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593855570 439477478 /nfs/dbraw/zinc/47/74/78/439477478.db2.gz JPHZLHBXTCHWHF-CQSZACIVSA-N 1 1 344.371 0.896 20 5 ECBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593855570 439477483 /nfs/dbraw/zinc/47/74/83/439477483.db2.gz JPHZLHBXTCHWHF-CQSZACIVSA-N 1 1 344.371 0.896 20 5 ECBDMO Cc1c(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000594241612 439530403 /nfs/dbraw/zinc/53/04/03/439530403.db2.gz DWFSFXTXCYBRRC-UONOGXRCSA-N 1 1 334.376 0.864 20 5 ECBDMO COc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941810 439580394 /nfs/dbraw/zinc/58/03/94/439580394.db2.gz YUZNBKIAMXJMEJ-NEPJUHHUSA-N 1 1 335.360 0.885 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000594664576 439588524 /nfs/dbraw/zinc/58/85/24/439588524.db2.gz CHNBYKGJLKDRTQ-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO Nc1nccc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007520 439593390 /nfs/dbraw/zinc/59/33/90/439593390.db2.gz ATHFBLLWLMKTSY-UHFFFAOYSA-N 1 1 349.391 0.899 20 5 ECBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594718214 439594630 /nfs/dbraw/zinc/59/46/30/439594630.db2.gz SVLVQVBEAWYPRS-OAHLLOKOSA-N 1 1 337.424 0.813 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600099809 439614133 /nfs/dbraw/zinc/61/41/33/439614133.db2.gz RNJAOKDHGSJNND-LBPRGKRZSA-N 1 1 336.348 0.025 20 5 ECBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000610906474 439655893 /nfs/dbraw/zinc/65/58/93/439655893.db2.gz HYCSMHOQCWYJBN-GWCFXTLKSA-N 1 1 336.348 0.369 20 5 ECBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000610906474 439655895 /nfs/dbraw/zinc/65/58/95/439655895.db2.gz HYCSMHOQCWYJBN-GWCFXTLKSA-N 1 1 336.348 0.369 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000611165870 439676494 /nfs/dbraw/zinc/67/64/94/439676494.db2.gz CJHSOFKFMJQANT-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)N(C)C ZINC000289619591 320670672 /nfs/dbraw/zinc/67/06/72/320670672.db2.gz OSUDAPLUQAUGKK-UHFFFAOYSA-N 1 1 331.394 0.975 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[N@H+]1CCc2ccccc2C1 ZINC000343017984 321117368 /nfs/dbraw/zinc/11/73/68/321117368.db2.gz VDFRAUFPSWKSKL-UHFFFAOYSA-N 1 1 330.348 0.361 20 5 ECBDMO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000345043173 321172087 /nfs/dbraw/zinc/17/20/87/321172087.db2.gz FPYYKBVRKWDRCW-ZDUSSCGKSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000345043173 321172088 /nfs/dbraw/zinc/17/20/88/321172088.db2.gz FPYYKBVRKWDRCW-ZDUSSCGKSA-N 1 1 329.378 0.477 20 5 ECBDMO O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000347324007 321236350 /nfs/dbraw/zinc/23/63/50/321236350.db2.gz UTONSIBAHQFAMJ-KBPBESRZSA-N 1 1 335.360 0.302 20 5 ECBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000564957691 322414029 /nfs/dbraw/zinc/41/40/29/322414029.db2.gz YUKRGBLDXOTUAZ-OAHLLOKOSA-N 1 1 348.338 0.949 20 5 ECBDMO [NH3+]CC(F)(F)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000580206572 322919018 /nfs/dbraw/zinc/91/90/18/322919018.db2.gz JFLCAFGAZRNJFE-UHFFFAOYSA-N 1 1 329.307 0.623 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186939001 534618459 /nfs/dbraw/zinc/61/84/59/534618459.db2.gz BNMAEPNITZMAPG-NSHDSACASA-N 1 1 339.396 0.403 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000184336671 528551960 /nfs/dbraw/zinc/55/19/60/528551960.db2.gz UPKBVESPWRIRJR-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO CCCNC(=O)C[N@@H+](CCC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266555553 535065109 /nfs/dbraw/zinc/06/51/09/535065109.db2.gz VWBXBAJDHBOPKX-CYBMUJFWSA-N 1 1 327.385 0.390 20 5 ECBDMO Cc1cc(F)cc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1[N+](=O)[O-] ZINC000753098810 579395132 /nfs/dbraw/zinc/39/51/32/579395132.db2.gz GBUCLKMXGALZFT-UHFFFAOYSA-N 1 1 338.339 0.722 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000780714787 578699521 /nfs/dbraw/zinc/69/95/21/578699521.db2.gz FVXPJHIGVNMCTL-LLVKDONJSA-N 1 1 345.425 0.964 20 5 ECBDMO C[S@@](=O)CC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000774668015 579253117 /nfs/dbraw/zinc/25/31/17/579253117.db2.gz UDPBRXXSWUHOJJ-HSZRJFAPSA-N 1 1 337.405 0.972 20 5 ECBDMO CS(=O)(=O)N1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575103 579284419 /nfs/dbraw/zinc/28/44/19/579284419.db2.gz NXJLZMYNXQRWCF-AWEZNQCLSA-N 1 1 343.405 0.596 20 5 ECBDMO CS(=O)(=O)N1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776575103 579284420 /nfs/dbraw/zinc/28/44/20/579284420.db2.gz NXJLZMYNXQRWCF-AWEZNQCLSA-N 1 1 343.405 0.596 20 5 ECBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762554460 579544050 /nfs/dbraw/zinc/54/40/50/579544050.db2.gz HSWDNIDPOUBHLI-ZDUSSCGKSA-N 1 1 347.368 0.387 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@H]2CCc3[nH+]ccn3C2)c(-c2nn[nH]n2)c1 ZINC000738367979 579624512 /nfs/dbraw/zinc/62/45/12/579624512.db2.gz AKEDGUIPIHVVCK-QMMMGPOBSA-N 1 1 327.308 0.793 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888985174 586251297 /nfs/dbraw/zinc/25/12/97/586251297.db2.gz NOIAPBYPXQUNCB-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985174 586251298 /nfs/dbraw/zinc/25/12/98/586251298.db2.gz NOIAPBYPXQUNCB-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC000896579625 586259881 /nfs/dbraw/zinc/25/98/81/586259881.db2.gz HRFVYYYVKJKHLB-IUODEOHRSA-N 1 1 336.392 0.724 20 5 ECBDMO C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000893273142 586320903 /nfs/dbraw/zinc/32/09/03/586320903.db2.gz DVTDZSKBHBCTTH-GFCCVEGCSA-N 1 1 346.387 0.950 20 5 ECBDMO C[C@@H]1CN(c2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000893273142 586320904 /nfs/dbraw/zinc/32/09/04/586320904.db2.gz DVTDZSKBHBCTTH-GFCCVEGCSA-N 1 1 346.387 0.950 20 5 ECBDMO CN1CC[N@@H+](C)CC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000905321274 586883271 /nfs/dbraw/zinc/88/32/71/586883271.db2.gz HDHAAQBWGGIUON-UHFFFAOYSA-N 1 1 335.408 0.616 20 5 ECBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC000806630875 587101864 /nfs/dbraw/zinc/10/18/64/587101864.db2.gz IOCWWEMKDZMXNZ-GFCCVEGCSA-N 1 1 333.348 0.383 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000816952327 587330103 /nfs/dbraw/zinc/33/01/03/587330103.db2.gz IDCWGUTZZFDTMQ-GXTWGEPZSA-N 1 1 333.344 0.949 20 5 ECBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000823625391 587735598 /nfs/dbraw/zinc/73/55/98/587735598.db2.gz UBNVJCIPTHMLNP-VHSXEESVSA-N 1 1 346.351 0.445 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000824707128 587889167 /nfs/dbraw/zinc/88/91/67/587889167.db2.gz NXJNWPORHQKRHF-QWRGUYRKSA-N 1 1 347.379 0.666 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000825745962 587958550 /nfs/dbraw/zinc/95/85/50/587958550.db2.gz AIXOABBOVBKJPV-BZUAXINKSA-N 1 1 349.387 0.686 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000852435901 589496393 /nfs/dbraw/zinc/49/63/93/589496393.db2.gz SOKODXVEOGWKAJ-LBPRGKRZSA-N 1 1 334.332 0.720 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000852435901 589496394 /nfs/dbraw/zinc/49/63/94/589496394.db2.gz SOKODXVEOGWKAJ-LBPRGKRZSA-N 1 1 334.332 0.720 20 5 ECBDMO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000857712748 589701856 /nfs/dbraw/zinc/70/18/56/589701856.db2.gz TUQALMZIZCYPNK-NSHDSACASA-N 1 1 335.364 0.879 20 5 ECBDMO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000857712748 589701857 /nfs/dbraw/zinc/70/18/57/589701857.db2.gz TUQALMZIZCYPNK-NSHDSACASA-N 1 1 335.364 0.879 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC[C@H]21 ZINC000866206326 589729346 /nfs/dbraw/zinc/72/93/46/589729346.db2.gz CTCJJPNQWNXADQ-CHWSQXEVSA-N 1 1 348.407 0.752 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])ccc1F ZINC000862648957 589954129 /nfs/dbraw/zinc/95/41/29/589954129.db2.gz NJHRSXMYKQLUFP-ZDUSSCGKSA-N 1 1 338.339 0.804 20 5 ECBDMO Cc1ccccc1C[NH+]1CCN(C(=O)Cn2ncc([N+](=O)[O-])n2)CC1 ZINC000863375164 590010096 /nfs/dbraw/zinc/01/00/96/590010096.db2.gz ZYUQYJNWBZAPHN-UHFFFAOYSA-N 1 1 344.375 0.839 20 5 ECBDMO CON(C)C(=O)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000863586625 590025203 /nfs/dbraw/zinc/02/52/03/590025203.db2.gz KCUVDVDNYWMVRS-SNVBAGLBSA-N 1 1 345.377 0.366 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879355280 590581247 /nfs/dbraw/zinc/58/12/47/590581247.db2.gz BJGHQXGKJXEQAU-OAHLLOKOSA-N 1 1 336.392 0.334 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889781084 591094992 /nfs/dbraw/zinc/09/49/92/591094992.db2.gz LICYIRWSMJDOKN-CABCVRRESA-N 1 1 334.376 0.969 20 5 ECBDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@@H+](CC[N+](=O)[O-])C2)CC1 ZINC000930473674 611432278 /nfs/dbraw/zinc/43/22/78/611432278.db2.gz VSCJSGXESTYRLM-CYBMUJFWSA-N 1 1 328.413 0.890 20 5 ECBDMO CCOCC[NH+]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932487022 611634197 /nfs/dbraw/zinc/63/41/97/611634197.db2.gz UDYLCABPUIAMNN-UHFFFAOYSA-N 1 1 325.369 0.280 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928092706 608674852 /nfs/dbraw/zinc/67/48/52/608674852.db2.gz IVFBDKVQKKCTEE-NEPJUHHUSA-N 1 1 325.394 0.487 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000246716564 612500744 /nfs/dbraw/zinc/50/07/44/612500744.db2.gz NVMQHQPYRROVNZ-VNHYZAJKSA-N 1 1 341.412 0.193 20 5 ECBDMO COCCN1[C@H](C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000246716564 612500746 /nfs/dbraw/zinc/50/07/46/612500746.db2.gz NVMQHQPYRROVNZ-VNHYZAJKSA-N 1 1 341.412 0.193 20 5 ECBDMO COCCN1[C@H](C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000246716564 612500751 /nfs/dbraw/zinc/50/07/51/612500751.db2.gz NVMQHQPYRROVNZ-VNHYZAJKSA-N 1 1 341.412 0.193 20 5 ECBDMO O=C(N[C@H]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000973253554 738978153 /nfs/dbraw/zinc/97/81/53/738978153.db2.gz ZFFPKKVRFGMADB-FDYHWXHSSA-N 1 1 336.392 0.043 20 5 ECBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc3n(n2)CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983653371 745000781 /nfs/dbraw/zinc/00/07/81/745000781.db2.gz IRFAIVCSVQEHGM-CZPYZCIJSA-N 1 1 347.419 0.869 20 5 ECBDMO COc1cncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985433259 747994405 /nfs/dbraw/zinc/99/44/05/747994405.db2.gz JTBAVAXZIDJPIO-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1cncc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985433259 747994407 /nfs/dbraw/zinc/99/44/07/747994407.db2.gz JTBAVAXZIDJPIO-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1cncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985433259 747994409 /nfs/dbraw/zinc/99/44/09/747994409.db2.gz JTBAVAXZIDJPIO-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO CN(Cc1nncn1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964514 750114727 /nfs/dbraw/zinc/11/47/27/750114727.db2.gz MUNXPYWSWXNSFR-CHWSQXEVSA-N 1 1 336.396 0.151 20 5 ECBDMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001049122936 758034364 /nfs/dbraw/zinc/03/43/64/758034364.db2.gz QQRHETBBSORJOJ-BETUJISGSA-N 1 1 342.359 0.917 20 5 ECBDMO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079746954 776794096 /nfs/dbraw/zinc/79/40/96/776794096.db2.gz OHILDENNTKMJMD-CHWSQXEVSA-N 1 1 326.397 0.051 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001079746954 776794104 /nfs/dbraw/zinc/79/41/04/776794104.db2.gz OHILDENNTKMJMD-CHWSQXEVSA-N 1 1 326.397 0.051 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001079746954 776794112 /nfs/dbraw/zinc/79/41/12/776794112.db2.gz OHILDENNTKMJMD-CHWSQXEVSA-N 1 1 326.397 0.051 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000427622966 210209776 /nfs/dbraw/zinc/20/97/76/210209776.db2.gz LCSUBDHETSFCNT-UHFFFAOYSA-N 1 1 333.352 0.507 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181867517 529922451 /nfs/dbraw/zinc/92/24/51/529922451.db2.gz PLYWAYMVIWOINA-STQMWFEESA-N 1 1 337.376 0.793 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546063 210069258 /nfs/dbraw/zinc/06/92/58/210069258.db2.gz KMRAGTGKISLXDL-VXGBXAGGSA-N 1 1 333.348 0.942 20 5 ECBDMO C[C@@](O)(CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000420593828 209396292 /nfs/dbraw/zinc/39/62/92/209396292.db2.gz CHQGLOKZYHODSP-OAHLLOKOSA-N 1 1 338.364 0.189 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000074137487 203282125 /nfs/dbraw/zinc/28/21/25/203282125.db2.gz NQWJNNRTAXNFTL-UHFFFAOYSA-N 1 1 349.391 0.287 20 5 ECBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676431 203322530 /nfs/dbraw/zinc/32/25/30/203322530.db2.gz GVEBHSPSVGEKNH-OCCSQVGLSA-N 1 1 339.396 0.390 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261704081 244643492 /nfs/dbraw/zinc/64/34/92/244643492.db2.gz JZCCJCJKKYIZSB-AWEZNQCLSA-N 1 1 343.343 0.325 20 5 ECBDMO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@H](C)O ZINC000246989565 205249095 /nfs/dbraw/zinc/24/90/95/205249095.db2.gz UZCAAWCSOZELPC-AAEUAGOBSA-N 1 1 339.396 0.403 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000131346527 205283824 /nfs/dbraw/zinc/28/38/24/205283824.db2.gz YWMKOAJMFIEOGJ-LBPRGKRZSA-N 1 1 325.369 0.015 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000266447488 248305416 /nfs/dbraw/zinc/30/54/16/248305416.db2.gz NZMSUIXSIHCIBN-AWEZNQCLSA-N 1 1 332.364 0.369 20 5 ECBDMO CCOC(=O)C[N@@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266550800 248356079 /nfs/dbraw/zinc/35/60/79/248356079.db2.gz UGGBNCOFUVNKKS-ZDUSSCGKSA-N 1 1 328.369 0.673 20 5 ECBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000447395524 211188672 /nfs/dbraw/zinc/18/86/72/211188672.db2.gz SUKHZWJNTIWCKR-GXTWGEPZSA-N 1 1 328.369 0.137 20 5 ECBDMO NC(=O)c1cccnc1N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174836154 207064190 /nfs/dbraw/zinc/06/41/90/207064190.db2.gz MTOJSYKPPXWFGJ-UHFFFAOYSA-N 1 1 345.363 0.107 20 5 ECBDMO NC(=O)c1cccnc1N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176220818 207201684 /nfs/dbraw/zinc/20/16/84/207201684.db2.gz JJXUAOLSRJGASN-UHFFFAOYSA-N 1 1 345.363 0.107 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000268671831 252125183 /nfs/dbraw/zinc/12/51/83/252125183.db2.gz NLYCTQLMEGPSPM-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1Cc1ccccc1 ZINC000413951022 208381208 /nfs/dbraw/zinc/38/12/08/208381208.db2.gz GFJUZIWXNOEQBP-CYBMUJFWSA-N 1 1 344.375 0.919 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000413951022 208381211 /nfs/dbraw/zinc/38/12/11/208381211.db2.gz GFJUZIWXNOEQBP-CYBMUJFWSA-N 1 1 344.375 0.919 20 5 ECBDMO Cc1cc([N+](=O)[O-])cn(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c1=O ZINC000414151852 208396529 /nfs/dbraw/zinc/39/65/29/208396529.db2.gz WRFICMRENYHWQZ-SGMGOOAPSA-N 1 1 325.365 0.535 20 5 ECBDMO COC(=O)[C@H](C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000190085977 533198243 /nfs/dbraw/zinc/19/82/43/533198243.db2.gz QOEIZRSAJIAUSX-GXFFZTMASA-N 1 1 326.353 0.568 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000271432284 296755858 /nfs/dbraw/zinc/75/58/58/296755858.db2.gz RXGZDQKBOHYUTL-UHFFFAOYSA-N 1 1 339.396 0.759 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000331213528 296908596 /nfs/dbraw/zinc/90/85/96/296908596.db2.gz AHJVCRLIYZSEMT-UHFFFAOYSA-N 1 1 345.425 0.821 20 5 ECBDMO Cc1cc(=O)n(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123386650 222268610 /nfs/dbraw/zinc/26/86/10/222268610.db2.gz XMJGUWQVUPFMGP-FRRDWIJNSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1cc(=O)n(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123386650 222268613 /nfs/dbraw/zinc/26/86/13/222268613.db2.gz XMJGUWQVUPFMGP-FRRDWIJNSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189301120 263162860 /nfs/dbraw/zinc/16/28/60/263162860.db2.gz URRJIWUVJXIHNC-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000270525505 263248053 /nfs/dbraw/zinc/24/80/53/263248053.db2.gz BOSDURMSWYUCDJ-INIZCTEOSA-N 1 1 346.391 0.365 20 5 ECBDMO CCC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1CCOC ZINC000270927482 263286396 /nfs/dbraw/zinc/28/63/96/263286396.db2.gz GGJTUSNIMWTSSH-CYBMUJFWSA-N 1 1 339.396 0.751 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000280487292 263935466 /nfs/dbraw/zinc/93/54/66/263935466.db2.gz QHOYOGODRIQOBM-UHFFFAOYSA-N 1 1 348.359 0.920 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280487292 263935467 /nfs/dbraw/zinc/93/54/67/263935467.db2.gz QHOYOGODRIQOBM-UHFFFAOYSA-N 1 1 348.359 0.920 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282154696 264019770 /nfs/dbraw/zinc/01/97/70/264019770.db2.gz CFTSZTUYRCRRMM-GFCCVEGCSA-N 1 1 349.391 0.637 20 5 ECBDMO C[N@@H+](Cc1ccccc1)C1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000284943787 264260614 /nfs/dbraw/zinc/26/06/14/264260614.db2.gz DAGGUFVCSNNTDQ-KRWDZBQOSA-N 1 1 345.403 0.968 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CCOC ZINC000285950546 264354405 /nfs/dbraw/zinc/35/44/05/264354405.db2.gz ZJDIKKVMIRVDJD-LLVKDONJSA-N 1 1 325.369 0.891 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CCOC ZINC000285950546 264354407 /nfs/dbraw/zinc/35/44/07/264354407.db2.gz ZJDIKKVMIRVDJD-LLVKDONJSA-N 1 1 325.369 0.891 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000286644464 264413033 /nfs/dbraw/zinc/41/30/33/264413033.db2.gz DIWHIKURXFYPBH-NSHDSACASA-N 1 1 332.364 0.901 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000326534433 274004213 /nfs/dbraw/zinc/00/42/13/274004213.db2.gz XHRJMCCKQQEUGC-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO CN(C)C(=O)C1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000411914011 276749356 /nfs/dbraw/zinc/74/93/56/276749356.db2.gz OYXGVWWPYHQTSD-UHFFFAOYSA-N 1 1 332.360 0.694 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000189373887 437596360 /nfs/dbraw/zinc/59/63/60/437596360.db2.gz UCSUKRLLEUMIIK-CYBMUJFWSA-N 1 1 348.403 0.482 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])cc3S(N)(=O)=O)C[C@@H]21 ZINC000375036151 277178296 /nfs/dbraw/zinc/17/82/96/277178296.db2.gz FTZDWPYQQIZRSJ-GWCFXTLKSA-N 1 1 340.405 0.773 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C2)C1 ZINC000291616912 437612677 /nfs/dbraw/zinc/61/26/77/437612677.db2.gz ANPBPOVRNGYNLN-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000109066766 295197177 /nfs/dbraw/zinc/19/71/77/295197177.db2.gz KFVDAWVPOXWFLX-UWVGGRQHSA-N 1 1 329.378 0.974 20 5 ECBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000337712575 297207980 /nfs/dbraw/zinc/20/79/80/297207980.db2.gz OLYMKEIQPOZYHB-CQSZACIVSA-N 1 1 344.375 0.911 20 5 ECBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000337712575 297207981 /nfs/dbraw/zinc/20/79/81/297207981.db2.gz OLYMKEIQPOZYHB-CQSZACIVSA-N 1 1 344.375 0.911 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000346649089 298311827 /nfs/dbraw/zinc/31/18/27/298311827.db2.gz GJNHWNYCIDXKBF-JXFSHQFZSA-N 1 1 349.387 0.920 20 5 ECBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354519493 299063344 /nfs/dbraw/zinc/06/33/44/299063344.db2.gz FRFGBNJXVHEGOF-CHWSQXEVSA-N 1 1 345.359 0.683 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2nnc(CN3CC[NH+](CCO)CC3)o2)cc1 ZINC000072553174 436045850 /nfs/dbraw/zinc/04/58/50/436045850.db2.gz LDOZTQFFFNLGQA-UHFFFAOYSA-N 1 1 333.348 0.755 20 5 ECBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCOCC1 ZINC000072665155 436051396 /nfs/dbraw/zinc/05/13/96/436051396.db2.gz ZZELVRGCAQNBMQ-ZDUSSCGKSA-N 1 1 349.391 0.771 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NC1CCOCC1 ZINC000072665155 436051404 /nfs/dbraw/zinc/05/14/04/436051404.db2.gz ZZELVRGCAQNBMQ-ZDUSSCGKSA-N 1 1 349.391 0.771 20 5 ECBDMO CCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075677481 436173057 /nfs/dbraw/zinc/17/30/57/436173057.db2.gz QWNSHBFWQPSSLR-YPMHNXCESA-N 1 1 325.369 0.143 20 5 ECBDMO COC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075682891 436173541 /nfs/dbraw/zinc/17/35/41/436173541.db2.gz JAHBEBDNEHQXRA-AAEUAGOBSA-N 1 1 326.353 0.570 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726462 301369237 /nfs/dbraw/zinc/36/92/37/301369237.db2.gz PJLUKBDPLAFGTO-TZMCWYRMSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726462 301369240 /nfs/dbraw/zinc/36/92/40/301369240.db2.gz PJLUKBDPLAFGTO-TZMCWYRMSA-N 1 1 344.371 0.552 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000078638718 436273425 /nfs/dbraw/zinc/27/34/25/436273425.db2.gz GPZAQAKVMFELFD-OAHLLOKOSA-N 1 1 345.403 0.912 20 5 ECBDMO O=C1NCCN1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090549411 436433002 /nfs/dbraw/zinc/43/30/02/436433002.db2.gz XAINPJKUMCEGCJ-LBPRGKRZSA-N 1 1 335.364 0.246 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000539803689 302173531 /nfs/dbraw/zinc/17/35/31/302173531.db2.gz XHOMNCJRCAVCMG-GHMZBOCLSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@@H]2C1 ZINC000539803689 302173534 /nfs/dbraw/zinc/17/35/34/302173534.db2.gz XHOMNCJRCAVCMG-GHMZBOCLSA-N 1 1 326.378 0.705 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000116890787 436653750 /nfs/dbraw/zinc/65/37/50/436653750.db2.gz MJXFJHAQGANYCZ-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO C[C@@H]1CN(CC[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000195327498 436688803 /nfs/dbraw/zinc/68/88/03/436688803.db2.gz HKSBFSWOUKYGAX-OKILXGFUSA-N 1 1 338.408 0.798 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000195327498 436688805 /nfs/dbraw/zinc/68/88/05/436688805.db2.gz HKSBFSWOUKYGAX-OKILXGFUSA-N 1 1 338.408 0.798 20 5 ECBDMO C[C@@H]1C[N@H+](CCN(C)CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)O1 ZINC000195327498 436688808 /nfs/dbraw/zinc/68/88/08/436688808.db2.gz HKSBFSWOUKYGAX-OKILXGFUSA-N 1 1 338.408 0.798 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139185925 436664616 /nfs/dbraw/zinc/66/46/16/436664616.db2.gz IWRYNAIPAONENM-RISCZKNCSA-N 1 1 334.376 0.924 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068602082 436751084 /nfs/dbraw/zinc/75/10/84/436751084.db2.gz BYNIAMDBZBVYIN-UHFFFAOYSA-N 1 1 348.403 0.806 20 5 ECBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])ccc2=O)CN1 ZINC000125125906 436764113 /nfs/dbraw/zinc/76/41/13/436764113.db2.gz DAQIDYBYCOLVQT-OCCSQVGLSA-N 1 1 334.376 0.747 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(S(C)(=O)=O)CC1 ZINC000121534559 436718955 /nfs/dbraw/zinc/71/89/55/436718955.db2.gz KNQRMWVKONPOOC-UHFFFAOYSA-N 1 1 331.398 0.147 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1COc2ccccc2O1 ZINC000246681173 436784967 /nfs/dbraw/zinc/78/49/67/436784967.db2.gz HIZTWFJEBZLBDS-ZIAGYGMSSA-N 1 1 348.359 0.924 20 5 ECBDMO Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126686065 436789726 /nfs/dbraw/zinc/78/97/26/436789726.db2.gz YQHXILRHLQBCGW-ZWNOBZJWSA-N 1 1 339.396 0.634 20 5 ECBDMO Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126686065 436789730 /nfs/dbraw/zinc/78/97/30/436789730.db2.gz YQHXILRHLQBCGW-ZWNOBZJWSA-N 1 1 339.396 0.634 20 5 ECBDMO C[NH+]1CCN([C@@H]2CCCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000127077723 436795688 /nfs/dbraw/zinc/79/56/88/436795688.db2.gz GGTWOXABEPCRJW-GFCCVEGCSA-N 1 1 335.412 0.573 20 5 ECBDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274076310 436796180 /nfs/dbraw/zinc/79/61/80/436796180.db2.gz RXPNOKJBZSUIDH-QMTHXVAHSA-N 1 1 333.348 0.979 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000274570056 436844941 /nfs/dbraw/zinc/84/49/41/436844941.db2.gz QVEUCPXKBUDYBP-UHFFFAOYSA-N 1 1 341.364 0.656 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249584187 436824865 /nfs/dbraw/zinc/82/48/65/436824865.db2.gz SIVLQJHCPUSABC-MBNYWOFBSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249584187 436824868 /nfs/dbraw/zinc/82/48/68/436824868.db2.gz SIVLQJHCPUSABC-MBNYWOFBSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000292846713 436832778 /nfs/dbraw/zinc/83/27/78/436832778.db2.gz QYDFRBVBTLMOCQ-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000160714273 436876805 /nfs/dbraw/zinc/87/68/05/436876805.db2.gz HUDMMMDYCWQRKK-PHIMTYICSA-N 1 1 339.396 0.946 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000160714273 436876810 /nfs/dbraw/zinc/87/68/10/436876810.db2.gz HUDMMMDYCWQRKK-PHIMTYICSA-N 1 1 339.396 0.946 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956659 436899778 /nfs/dbraw/zinc/89/97/78/436899778.db2.gz IATRCJZCMOTALA-DRZSPHRISA-N 1 1 326.353 0.426 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956659 436899783 /nfs/dbraw/zinc/89/97/83/436899783.db2.gz IATRCJZCMOTALA-DRZSPHRISA-N 1 1 326.353 0.426 20 5 ECBDMO Cc1c(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000170691082 436950022 /nfs/dbraw/zinc/95/00/22/436950022.db2.gz STHAOTRFZQFJKJ-LBPRGKRZSA-N 1 1 342.421 0.908 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCOCC1 ZINC000298074788 437025125 /nfs/dbraw/zinc/02/51/25/437025125.db2.gz DNLRPUZOTWIYFC-CYBMUJFWSA-N 1 1 338.364 0.782 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284153433 437045301 /nfs/dbraw/zinc/04/53/01/437045301.db2.gz WQFSNVSUJIZGFF-SECBINFHSA-N 1 1 326.328 0.767 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000173427510 437051384 /nfs/dbraw/zinc/05/13/84/437051384.db2.gz PHMRZXCDEFEKQU-UHFFFAOYSA-N 1 1 331.394 0.841 20 5 ECBDMO CN1CCN(C)[C@@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000264636278 437057354 /nfs/dbraw/zinc/05/73/54/437057354.db2.gz DQNCOQURQKWVKX-ZDUSSCGKSA-N 1 1 335.408 0.759 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284744140 437068693 /nfs/dbraw/zinc/06/86/93/437068693.db2.gz DVSCZOMAILZLPE-GJZGRUSLSA-N 1 1 334.376 0.938 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000261687266 303009077 /nfs/dbraw/zinc/00/90/77/303009077.db2.gz IBCXSNSDDMRUON-CYBMUJFWSA-N 1 1 330.348 0.697 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000301110615 437111712 /nfs/dbraw/zinc/11/17/12/437111712.db2.gz VAHOSFSHBRLBHN-GFCCVEGCSA-N 1 1 337.380 0.857 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418317 437160050 /nfs/dbraw/zinc/16/00/50/437160050.db2.gz FDQLSYRCZUQGMC-QEJZJMRPSA-N 1 1 325.413 0.814 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418317 437160055 /nfs/dbraw/zinc/16/00/55/437160055.db2.gz FDQLSYRCZUQGMC-QEJZJMRPSA-N 1 1 325.413 0.814 20 5 ECBDMO O=C([C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCOCC1 ZINC000176201804 437134478 /nfs/dbraw/zinc/13/44/78/437134478.db2.gz SRXREOVBOLSOGW-ZDUSSCGKSA-N 1 1 337.380 0.362 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000317509092 437193381 /nfs/dbraw/zinc/19/33/81/437193381.db2.gz WHJFTAADIVFVMV-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO CC(C)OCC[NH+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000266817140 437249307 /nfs/dbraw/zinc/24/93/07/437249307.db2.gz RMAVQVYRGVCQGQ-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO NC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CC[NH2+]1 ZINC000267217668 437307225 /nfs/dbraw/zinc/30/72/25/437307225.db2.gz IQPASWWXOYDCLA-MRVPVSSYSA-N 1 1 330.142 0.016 20 5 ECBDMO CC[N@H+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000288367547 437314657 /nfs/dbraw/zinc/31/46/57/437314657.db2.gz JQKAOHINGIHNNB-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267106551 437290166 /nfs/dbraw/zinc/29/01/66/437290166.db2.gz WCRCSBFKQLKNAN-NSHDSACASA-N 1 1 331.398 0.195 20 5 ECBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267106551 437290171 /nfs/dbraw/zinc/29/01/71/437290171.db2.gz WCRCSBFKQLKNAN-NSHDSACASA-N 1 1 331.398 0.195 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC[N@@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000267106284 437290246 /nfs/dbraw/zinc/29/02/46/437290246.db2.gz ATEPTOJSEAAORJ-UHFFFAOYSA-N 1 1 325.369 0.675 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000267106284 437290254 /nfs/dbraw/zinc/29/02/54/437290254.db2.gz ATEPTOJSEAAORJ-UHFFFAOYSA-N 1 1 325.369 0.675 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](CCOC)CC2)c1[N+](=O)[O-] ZINC000267106284 437290260 /nfs/dbraw/zinc/29/02/60/437290260.db2.gz ATEPTOJSEAAORJ-UHFFFAOYSA-N 1 1 325.369 0.675 20 5 ECBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000337257809 437343215 /nfs/dbraw/zinc/34/32/15/437343215.db2.gz UPCHORZPCQTSKI-YRGRVCCFSA-N 1 1 335.360 0.545 20 5 ECBDMO O=C(C[N@@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278819257 437345844 /nfs/dbraw/zinc/34/58/44/437345844.db2.gz HHYUJVJLZJZIDQ-KRWDZBQOSA-N 1 1 344.371 0.696 20 5 ECBDMO O=C(C[N@H+]1CC[C@]2(CNC(=O)C2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278819257 437345849 /nfs/dbraw/zinc/34/58/49/437345849.db2.gz HHYUJVJLZJZIDQ-KRWDZBQOSA-N 1 1 344.371 0.696 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187700078 437510752 /nfs/dbraw/zinc/51/07/52/437510752.db2.gz GHBPVPLZJMMLEG-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187700078 437510757 /nfs/dbraw/zinc/51/07/57/437510757.db2.gz GHBPVPLZJMMLEG-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC000354470808 437624515 /nfs/dbraw/zinc/62/45/15/437624515.db2.gz AQHPLHQLRKSFCC-LLVKDONJSA-N 1 1 349.391 0.494 20 5 ECBDMO NC(=O)c1ccnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000291104202 437559646 /nfs/dbraw/zinc/55/96/46/437559646.db2.gz KURVKFNKHYZADS-LBPRGKRZSA-N 1 1 349.391 0.637 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000343986614 437715697 /nfs/dbraw/zinc/71/56/97/437715697.db2.gz QPXQZSRPFVRCDC-ZJUUUORDSA-N 1 1 331.398 0.572 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000343986614 437715701 /nfs/dbraw/zinc/71/57/01/437715701.db2.gz QPXQZSRPFVRCDC-ZJUUUORDSA-N 1 1 331.398 0.572 20 5 ECBDMO O=C1C[C@]2(CN1)CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000362409344 437735996 /nfs/dbraw/zinc/73/59/96/437735996.db2.gz FYWQPLYWTBVBOI-YOEHRIQHSA-N 1 1 349.387 0.937 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363618278 437800579 /nfs/dbraw/zinc/80/05/79/437800579.db2.gz YIYVTBAZOICGHS-HNNXBMFYSA-N 1 1 346.387 0.973 20 5 ECBDMO Cn1c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)ccc1[N+](=O)[O-] ZINC000423959859 437868101 /nfs/dbraw/zinc/86/81/01/437868101.db2.gz XZQKBQSXWJSNNF-UHFFFAOYSA-N 1 1 335.408 0.880 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347447316 437892238 /nfs/dbraw/zinc/89/22/38/437892238.db2.gz MHSAIWNIOZNUGO-ZDUSSCGKSA-N 1 1 344.375 1.290 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416498099 437947052 /nfs/dbraw/zinc/94/70/52/437947052.db2.gz WIKYZKOFXQTJQL-JTQLQIEISA-N 1 1 329.378 0.833 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498918 437947637 /nfs/dbraw/zinc/94/76/37/437947637.db2.gz ZDPPOOMOVSESMT-VIFPVBQESA-N 1 1 347.368 0.973 20 5 ECBDMO CCn1cc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000416506436 437949353 /nfs/dbraw/zinc/94/93/53/437949353.db2.gz IYBLUHJKDXARSH-UHFFFAOYSA-N 1 1 345.425 0.964 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365869503 437981676 /nfs/dbraw/zinc/98/16/76/437981676.db2.gz NBQHWDKREKSDNN-LBPRGKRZSA-N 1 1 339.421 0.749 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1)C1CC1 ZINC000357444153 437990863 /nfs/dbraw/zinc/99/08/63/437990863.db2.gz XLMFGINPVOVZLY-LBPRGKRZSA-N 1 1 334.336 0.404 20 5 ECBDMO CS[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000342543605 438027701 /nfs/dbraw/zinc/02/77/01/438027701.db2.gz KFRCZRPKRIZKJQ-JHJVBQTASA-N 1 1 329.426 0.130 20 5 ECBDMO CS[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000342543605 438027705 /nfs/dbraw/zinc/02/77/05/438027705.db2.gz KFRCZRPKRIZKJQ-JHJVBQTASA-N 1 1 329.426 0.130 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429386 438072460 /nfs/dbraw/zinc/07/24/60/438072460.db2.gz FOQGRZRTPLHYOW-JIMOISOXSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429386 438072465 /nfs/dbraw/zinc/07/24/65/438072465.db2.gz FOQGRZRTPLHYOW-JIMOISOXSA-N 1 1 346.343 0.516 20 5 ECBDMO COc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000358051771 438131594 /nfs/dbraw/zinc/13/15/94/438131594.db2.gz DBPJPPSTPFIMOR-HNNXBMFYSA-N 1 1 339.348 0.408 20 5 ECBDMO C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418788069 438190809 /nfs/dbraw/zinc/19/08/09/438190809.db2.gz VARATIXBXGEKQW-QMMMGPOBSA-N 1 1 330.291 0.482 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000373547124 438156742 /nfs/dbraw/zinc/15/67/42/438156742.db2.gz RZMKVDUEIZZEPW-HLLBOEOZSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373547124 438156748 /nfs/dbraw/zinc/15/67/48/438156748.db2.gz RZMKVDUEIZZEPW-HLLBOEOZSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000373547124 438156750 /nfs/dbraw/zinc/15/67/50/438156750.db2.gz RZMKVDUEIZZEPW-HLLBOEOZSA-N 1 1 333.388 0.747 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2c2ncc([N+](=O)[O-])s2)CC1 ZINC000367147656 438172593 /nfs/dbraw/zinc/17/25/93/438172593.db2.gz TXLPUTNDBQQCLH-SNVBAGLBSA-N 1 1 325.394 0.794 20 5 ECBDMO C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367622208 438230217 /nfs/dbraw/zinc/23/02/17/438230217.db2.gz GMELEIMCQSDBDQ-OAHLLOKOSA-N 1 1 336.440 0.751 20 5 ECBDMO CN1CC[NH+](C[C@@H]2CCCN(CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000367622208 438230220 /nfs/dbraw/zinc/23/02/20/438230220.db2.gz GMELEIMCQSDBDQ-OAHLLOKOSA-N 1 1 336.440 0.751 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351489610 438267885 /nfs/dbraw/zinc/26/78/85/438267885.db2.gz DAIAVEAYGXCCGN-UHFFFAOYSA-N 1 1 342.327 0.367 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680552 438325056 /nfs/dbraw/zinc/32/50/56/438325056.db2.gz QDLUQGCGKHJMJW-NWDGAFQWSA-N 1 1 332.360 0.991 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000368859105 438393708 /nfs/dbraw/zinc/39/37/08/438393708.db2.gz FHBYLGPPEDOLSY-ZFWWWQNUSA-N 1 1 335.360 0.953 20 5 ECBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807823 438387417 /nfs/dbraw/zinc/38/74/17/438387417.db2.gz JZDJRRJBIUPHLR-JTQLQIEISA-N 1 1 333.414 0.820 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c([N+](=O)[O-])n1 ZINC000420453280 438408483 /nfs/dbraw/zinc/40/84/83/438408483.db2.gz XIFBYQCICFVHTA-QMMMGPOBSA-N 1 1 339.324 0.087 20 5 ECBDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007093 438410798 /nfs/dbraw/zinc/41/07/98/438410798.db2.gz CETKFPYFJPVCPO-GFCCVEGCSA-N 1 1 345.425 0.758 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000369305028 438451104 /nfs/dbraw/zinc/45/11/04/438451104.db2.gz AKZXYRKIRFOIOG-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000369305028 438451106 /nfs/dbraw/zinc/45/11/06/438451106.db2.gz AKZXYRKIRFOIOG-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CCCC(=O)N1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369781811 438514605 /nfs/dbraw/zinc/51/46/05/438514605.db2.gz IYLZPKLHSZWLCF-CQSZACIVSA-N 1 1 339.396 0.487 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000408450578 438575091 /nfs/dbraw/zinc/57/50/91/438575091.db2.gz FVUXJGAIEZQQIJ-AAEUAGOBSA-N 1 1 334.380 0.662 20 5 ECBDMO C[C@H]([NH3+])C[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422943861 438618234 /nfs/dbraw/zinc/61/82/34/438618234.db2.gz YUIXSBFIFFJUCW-QWRGUYRKSA-N 1 1 330.410 0.589 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000452386382 438658616 /nfs/dbraw/zinc/65/86/16/438658616.db2.gz FNVGOOPKONOXKS-SNVBAGLBSA-N 1 1 325.369 0.457 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000457106365 438794855 /nfs/dbraw/zinc/79/48/55/438794855.db2.gz VRHRLWSMHZDNCL-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000457106365 438794858 /nfs/dbraw/zinc/79/48/58/438794858.db2.gz VRHRLWSMHZDNCL-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO CC[C@@H]1C[N@@H+](C)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000555242226 438774584 /nfs/dbraw/zinc/77/45/84/438774584.db2.gz HICUALJBCDURQZ-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000457739759 438827238 /nfs/dbraw/zinc/82/72/38/438827238.db2.gz JHGCIZHTBRMZSX-UHFFFAOYSA-N 1 1 349.391 0.603 20 5 ECBDMO C[N@H+]1CC[C@H](C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000577378913 438837739 /nfs/dbraw/zinc/83/77/39/438837739.db2.gz FGQFUZBYTUAGLL-NSHDSACASA-N 1 1 344.375 1.018 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(CO)(CO)C1 ZINC000595800897 438864404 /nfs/dbraw/zinc/86/44/04/438864404.db2.gz SURHQWKMMBKLFQ-UHFFFAOYSA-N 1 1 337.376 0.909 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000590565677 438935449 /nfs/dbraw/zinc/93/54/49/438935449.db2.gz PJNJJYAVWKFSKP-NWDGAFQWSA-N 1 1 337.380 0.572 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596175336 438936511 /nfs/dbraw/zinc/93/65/11/438936511.db2.gz RSMACEBCLLSMQZ-LBPRGKRZSA-N 1 1 334.380 0.491 20 5 ECBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000596599430 438978829 /nfs/dbraw/zinc/97/88/29/438978829.db2.gz ULOILTHEZBJTGE-AWEZNQCLSA-N 1 1 348.407 0.970 20 5 ECBDMO COc1ccc(CC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000597624436 439140444 /nfs/dbraw/zinc/14/04/44/439140444.db2.gz IWTDUBIKLFSOLK-CQSZACIVSA-N 1 1 348.403 0.652 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CO)C1 ZINC000602904045 439157701 /nfs/dbraw/zinc/15/77/01/439157701.db2.gz KVIYLYXRAGEIRB-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](CO)C1 ZINC000602904045 439157707 /nfs/dbraw/zinc/15/77/07/439157707.db2.gz KVIYLYXRAGEIRB-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO CCN1C[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000581306096 439197457 /nfs/dbraw/zinc/19/74/57/439197457.db2.gz ONCDIEOVEBXTTC-LLVKDONJSA-N 1 1 341.389 0.579 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1c[nH]nc1[N+](=O)[O-] ZINC000597989685 439208026 /nfs/dbraw/zinc/20/80/26/439208026.db2.gz HIGMGAIIVCDVOO-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO CCOCC[NH+]1CCN(c2nccc(C(=O)OC)c2[N+](=O)[O-])CC1 ZINC000598595432 439283294 /nfs/dbraw/zinc/28/32/94/439283294.db2.gz SREUOFPFWMAOKX-UHFFFAOYSA-N 1 1 338.364 0.935 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)C1 ZINC000598628088 439291336 /nfs/dbraw/zinc/29/13/36/439291336.db2.gz ZBHOVQLGAPABJH-INIZCTEOSA-N 1 1 348.407 0.753 20 5 ECBDMO CC(C)c1nnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000569686586 439354860 /nfs/dbraw/zinc/35/48/60/439354860.db2.gz RLHJVYYOBJNBQP-SNVBAGLBSA-N 1 1 326.382 0.917 20 5 ECBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599236908 439394888 /nfs/dbraw/zinc/39/48/88/439394888.db2.gz OWWIDYFDLPSERB-LLVKDONJSA-N 1 1 345.425 0.871 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000583438741 439464814 /nfs/dbraw/zinc/46/48/14/439464814.db2.gz CBODTVRGEOLENZ-DGCLKSJQSA-N 1 1 325.321 0.545 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000583559957 439480808 /nfs/dbraw/zinc/48/08/08/439480808.db2.gz POVJVUJUAMCTNV-LBPRGKRZSA-N 1 1 333.348 0.662 20 5 ECBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594233570 439530601 /nfs/dbraw/zinc/53/06/01/439530601.db2.gz UQUWTKPXIXDFNZ-UONOGXRCSA-N 1 1 334.376 0.598 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112591 439550502 /nfs/dbraw/zinc/55/05/02/439550502.db2.gz GKVQUJZBNLDZIB-GFCCVEGCSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112591 439550507 /nfs/dbraw/zinc/55/05/07/439550507.db2.gz GKVQUJZBNLDZIB-GFCCVEGCSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000609112591 439550512 /nfs/dbraw/zinc/55/05/12/439550512.db2.gz GKVQUJZBNLDZIB-GFCCVEGCSA-N 1 1 337.380 0.953 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000609257712 439556720 /nfs/dbraw/zinc/55/67/20/439556720.db2.gz JBOLPZAYVJGVKN-LBPRGKRZSA-N 1 1 330.348 1.000 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107158 439516115 /nfs/dbraw/zinc/51/61/15/439516115.db2.gz HUOXRQVKHZGDGI-UTUOFQBUSA-N 1 1 339.396 0.714 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107158 439516121 /nfs/dbraw/zinc/51/61/21/439516121.db2.gz HUOXRQVKHZGDGI-UTUOFQBUSA-N 1 1 339.396 0.714 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[N@H+](C)CCO1 ZINC000610912397 439657767 /nfs/dbraw/zinc/65/77/67/439657767.db2.gz FDRIZUGAULYIQO-YMTOWFKASA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000610912397 439657770 /nfs/dbraw/zinc/65/77/70/439657770.db2.gz FDRIZUGAULYIQO-YMTOWFKASA-N 1 1 337.332 0.772 20 5 ECBDMO COc1cc(OCC(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600806706 439704615 /nfs/dbraw/zinc/70/46/15/439704615.db2.gz DTGDHRWRNORUDO-NSHDSACASA-N 1 1 339.348 0.165 20 5 ECBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600810217 439706236 /nfs/dbraw/zinc/70/62/36/439706236.db2.gz WWJOWQNYTDDZNV-LBPRGKRZSA-N 1 1 325.390 0.870 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000342290962 321086223 /nfs/dbraw/zinc/08/62/23/321086223.db2.gz IJELAMVDYIHOLL-LLVKDONJSA-N 1 1 325.369 0.398 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000342290962 321086224 /nfs/dbraw/zinc/08/62/24/321086224.db2.gz IJELAMVDYIHOLL-LLVKDONJSA-N 1 1 325.369 0.398 20 5 ECBDMO Cn1c(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000344692714 321160143 /nfs/dbraw/zinc/16/01/43/321160143.db2.gz ASKDZKMDKQGVSQ-ZDUSSCGKSA-N 1 1 349.391 0.312 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000546718706 322120738 /nfs/dbraw/zinc/12/07/38/322120738.db2.gz OEEATMCSROQDCC-UHFFFAOYSA-N 1 1 325.321 0.368 20 5 ECBDMO CNS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000264124291 536319785 /nfs/dbraw/zinc/31/97/85/536319785.db2.gz LGZXPOFWZLYIJG-SNVBAGLBSA-N 1 1 328.394 0.867 20 5 ECBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000754786196 579423766 /nfs/dbraw/zinc/42/37/66/579423766.db2.gz SCWUGLLGKQOVKX-ZDUSSCGKSA-N 1 1 334.376 0.865 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)OCCC[NH+]1CCOCC1 ZINC000735893048 578399497 /nfs/dbraw/zinc/39/94/97/578399497.db2.gz AZLUEQHDWPEIHY-UHFFFAOYSA-N 1 1 326.353 0.755 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380305 578853083 /nfs/dbraw/zinc/85/30/83/578853083.db2.gz XONOQVVWEKDBAE-WFASDCNBSA-N 1 1 334.332 0.302 20 5 ECBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000776585695 579285028 /nfs/dbraw/zinc/28/50/28/579285028.db2.gz ZIWWOGACJXBAAR-BXUZGUMPSA-N 1 1 328.390 0.995 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CCS(=O)(=O)C1 ZINC000776585695 579285029 /nfs/dbraw/zinc/28/50/29/579285029.db2.gz ZIWWOGACJXBAAR-BXUZGUMPSA-N 1 1 328.390 0.995 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859016 579321821 /nfs/dbraw/zinc/32/18/21/579321821.db2.gz OMBWLXOSILUJOZ-YPMHNXCESA-N 1 1 339.396 0.920 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2cc([N+](=O)[O-])c(C)n2)C1 ZINC000779859016 579321822 /nfs/dbraw/zinc/32/18/22/579321822.db2.gz OMBWLXOSILUJOZ-YPMHNXCESA-N 1 1 339.396 0.920 20 5 ECBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCCC[C@@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738369347 579624588 /nfs/dbraw/zinc/62/45/88/579624588.db2.gz LLMAPJDUKPCFPS-SNVBAGLBSA-N 1 1 330.352 0.844 20 5 ECBDMO C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+]1C ZINC000747985354 579855895 /nfs/dbraw/zinc/85/58/95/579855895.db2.gz IAHFISQBCFMBFD-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@H+]1C ZINC000747985354 579855896 /nfs/dbraw/zinc/85/58/96/579855896.db2.gz IAHFISQBCFMBFD-NSHDSACASA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000896580172 586259497 /nfs/dbraw/zinc/25/94/97/586259497.db2.gz LFHMHYODUNSBBU-OCCSQVGLSA-N 1 1 336.392 0.724 20 5 ECBDMO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+](C)CC1 ZINC000888993793 586352670 /nfs/dbraw/zinc/35/26/70/586352670.db2.gz HOPKJHTVNWJZNT-UHFFFAOYSA-N 1 1 339.371 0.636 20 5 ECBDMO CN1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+](C)CC1 ZINC000888993793 586352673 /nfs/dbraw/zinc/35/26/73/586352673.db2.gz HOPKJHTVNWJZNT-UHFFFAOYSA-N 1 1 339.371 0.636 20 5 ECBDMO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1CO ZINC000894881898 586416953 /nfs/dbraw/zinc/41/69/53/586416953.db2.gz PFYBZTYQUPTUIH-ZDUSSCGKSA-N 1 1 334.376 0.600 20 5 ECBDMO C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)C[C@H]1CO ZINC000894881898 586416956 /nfs/dbraw/zinc/41/69/56/586416956.db2.gz PFYBZTYQUPTUIH-ZDUSSCGKSA-N 1 1 334.376 0.600 20 5 ECBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000900803931 586664916 /nfs/dbraw/zinc/66/49/16/586664916.db2.gz LGWHPVBDYPTAAU-DOMZBBRYSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000900803931 586664918 /nfs/dbraw/zinc/66/49/18/586664918.db2.gz LGWHPVBDYPTAAU-DOMZBBRYSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000900803931 586664919 /nfs/dbraw/zinc/66/49/19/586664919.db2.gz LGWHPVBDYPTAAU-DOMZBBRYSA-N 1 1 335.408 0.757 20 5 ECBDMO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCNCC1 ZINC000817945608 587392911 /nfs/dbraw/zinc/39/29/11/587392911.db2.gz HTIZYEUTRHHWMK-UHFFFAOYSA-N 1 1 347.419 0.585 20 5 ECBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]21 ZINC000821628536 587608651 /nfs/dbraw/zinc/60/86/51/587608651.db2.gz KQCDGCBJSGRLJV-CHWSQXEVSA-N 1 1 331.336 0.294 20 5 ECBDMO COCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821690935 587622353 /nfs/dbraw/zinc/62/23/53/587622353.db2.gz BRDFBBZQNBBBKX-UHFFFAOYSA-N 1 1 348.367 0.328 20 5 ECBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823812600 587744529 /nfs/dbraw/zinc/74/45/29/587744529.db2.gz NBMKWYKUEPONFZ-HOTGVXAUSA-N 1 1 349.387 0.951 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641697 589597720 /nfs/dbraw/zinc/59/77/20/589597720.db2.gz FBGGNCRJZMBXTA-OWCLPIDISA-N 1 1 349.387 0.950 20 5 ECBDMO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000858812248 589774999 /nfs/dbraw/zinc/77/49/99/589774999.db2.gz NEZVGKAZPIBHPT-LLVKDONJSA-N 1 1 340.336 0.782 20 5 ECBDMO Cc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710209 589877416 /nfs/dbraw/zinc/87/74/16/589877416.db2.gz AOJKHTUOKSLLLU-RYUDHWBXSA-N 1 1 334.376 0.767 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861716562 589878938 /nfs/dbraw/zinc/87/89/38/589878938.db2.gz RPWWGPNYHSGUII-SOUVJXGZSA-N 1 1 335.360 0.296 20 5 ECBDMO C[C@@H](c1nc(Cc2ccc([N+](=O)[O-])cn2)no1)N1CC[NH2+]CC1=O ZINC000863663959 590029962 /nfs/dbraw/zinc/02/99/62/590029962.db2.gz OAZHIXKQANVLQR-VIFPVBQESA-N 1 1 332.320 0.456 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880581404 590408387 /nfs/dbraw/zinc/40/83/87/590408387.db2.gz AWUOMJYOBSYCSI-CQSZACIVSA-N 1 1 337.376 0.620 20 5 ECBDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@H+]1C ZINC000925316160 611468115 /nfs/dbraw/zinc/46/81/15/611468115.db2.gz XBQFDZWOLIGVQS-JSGCOSHPSA-N 1 1 348.407 0.914 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000931408205 611538070 /nfs/dbraw/zinc/53/80/70/611538070.db2.gz ZDEFSXKBQLNZEJ-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1CO ZINC000931408205 611538071 /nfs/dbraw/zinc/53/80/71/611538071.db2.gz ZDEFSXKBQLNZEJ-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000919837322 609664155 /nfs/dbraw/zinc/66/41/55/609664155.db2.gz UTYRUWJQSPDQHJ-CMPLNLGQSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000919837322 609664157 /nfs/dbraw/zinc/66/41/57/609664157.db2.gz UTYRUWJQSPDQHJ-CMPLNLGQSA-N 1 1 326.378 0.847 20 5 ECBDMO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1C ZINC000940107638 610210039 /nfs/dbraw/zinc/21/00/39/610210039.db2.gz LVFQYVGXNOAVFH-ZIAGYGMSSA-N 1 1 335.408 0.864 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@@H]4COC[C@@H]4O3)CC2)cn1 ZINC000929170764 611735060 /nfs/dbraw/zinc/73/50/60/611735060.db2.gz BZVARSPYNINFKC-SNPRPXQTSA-N 1 1 334.376 0.916 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCn3cc(Cl)cn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775930 739944876 /nfs/dbraw/zinc/94/48/76/739944876.db2.gz RMVFIRMDNQKRAB-LBELIVKGSA-N 1 1 339.783 0.248 20 5 ECBDMO COc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)on1 ZINC000997773200 743802514 /nfs/dbraw/zinc/80/25/14/743802514.db2.gz UYWGOPNZJZIKIW-CHWSQXEVSA-N 1 1 338.364 0.677 20 5 ECBDMO COc1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983650464 744994549 /nfs/dbraw/zinc/99/45/49/744994549.db2.gz UHDFBJWVVYVCBF-FMKGYKFTSA-N 1 1 334.376 0.740 20 5 ECBDMO CC(C)(C(=O)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC001001799620 746733037 /nfs/dbraw/zinc/73/30/37/746733037.db2.gz QOLLAEKJTKAGRY-CHWSQXEVSA-N 1 1 338.408 0.101 20 5 ECBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985342302 747755617 /nfs/dbraw/zinc/75/56/17/747755617.db2.gz NJDHBTKGNCRLEL-UHFFFAOYSA-N 1 1 334.376 0.893 20 5 ECBDMO C[NH+]1CCC(C(=O)N[C@H]2C[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000979745732 748332671 /nfs/dbraw/zinc/33/26/71/748332671.db2.gz CMTBBEFQKRBXCK-FMKGYKFTSA-N 1 1 338.408 0.004 20 5 ECBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029990326 750424132 /nfs/dbraw/zinc/42/41/32/750424132.db2.gz PXEJSJUQDWVZMV-UHFFFAOYSA-N 1 1 334.376 0.751 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C1 ZINC001048835100 757141133 /nfs/dbraw/zinc/14/11/33/757141133.db2.gz LVVVRRMPSAFNOA-BETUJISGSA-N 1 1 344.375 0.860 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C1 ZINC001048835100 757141136 /nfs/dbraw/zinc/14/11/36/757141136.db2.gz LVVVRRMPSAFNOA-BETUJISGSA-N 1 1 344.375 0.860 20 5 ECBDMO Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C1CC1 ZINC000996428875 757654528 /nfs/dbraw/zinc/65/45/28/757654528.db2.gz KGIYACHQUDGVJA-ZIAGYGMSSA-N 1 1 348.407 0.667 20 5 ECBDMO COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996430020 757659257 /nfs/dbraw/zinc/65/92/57/757659257.db2.gz YILQHCRWPOHWIH-HUUCEWRRSA-N 1 1 334.376 0.836 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063752 758226878 /nfs/dbraw/zinc/22/68/78/758226878.db2.gz LGBUAPQTNDKZSK-XJFOESAGSA-N 1 1 347.371 0.860 20 5 ECBDMO Cn1c(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)c[nH]c1=O ZINC001031899355 763445760 /nfs/dbraw/zinc/44/57/60/763445760.db2.gz YGAXQSSVKHWNKP-UHFFFAOYSA-N 1 1 345.359 0.896 20 5 ECBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1c[nH]c(=O)cn1 ZINC001031931804 763641402 /nfs/dbraw/zinc/64/14/02/763641402.db2.gz VXVYOBRLHZAYGD-UHFFFAOYSA-N 1 1 343.343 0.540 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000130842024 767127294 /nfs/dbraw/zinc/12/72/94/767127294.db2.gz QQSHPSYDKNDSKN-GFCCVEGCSA-N 1 1 326.353 0.691 20 5 ECBDMO Cc1cnccc1CC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001127362608 768522534 /nfs/dbraw/zinc/52/25/34/768522534.db2.gz RMXKDYIQRHYQQO-UHFFFAOYSA-N 1 1 332.364 0.480 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CCOCC(F)F ZINC001127449796 771238568 /nfs/dbraw/zinc/23/85/68/771238568.db2.gz UISIPLSFUGMMPF-UHFFFAOYSA-N 1 1 335.311 0.206 20 5 ECBDMO Cc1noc(CCC[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)n1 ZINC001072725246 788652084 /nfs/dbraw/zinc/65/20/84/788652084.db2.gz KVPRITKOENMWLQ-CHWSQXEVSA-N 1 1 349.391 0.510 20 5 ECBDMO Cc1noc(CCC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072725246 788652089 /nfs/dbraw/zinc/65/20/89/788652089.db2.gz KVPRITKOENMWLQ-CHWSQXEVSA-N 1 1 349.391 0.510 20 5 ECBDMO Cc1noc(CCC[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)n1 ZINC001072725246 788652092 /nfs/dbraw/zinc/65/20/92/788652092.db2.gz KVPRITKOENMWLQ-CHWSQXEVSA-N 1 1 349.391 0.510 20 5 ECBDMO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)C[N@@H+](C)C1CCC1 ZINC001067392012 793081577 /nfs/dbraw/zinc/08/15/77/793081577.db2.gz XGICDHKMVUAFIV-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[N@H+](C)C1CCC1 ZINC001067392012 793081588 /nfs/dbraw/zinc/08/15/88/793081588.db2.gz XGICDHKMVUAFIV-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[N@@H+](C)C1CCC1 ZINC001067392012 793081598 /nfs/dbraw/zinc/08/15/98/793081598.db2.gz XGICDHKMVUAFIV-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO C[N@H+](CCNC(=O)CN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267191950 836952341 /nfs/dbraw/zinc/95/23/41/836952341.db2.gz ARVYKGASSLOOFX-UHFFFAOYSA-N 1 1 336.392 0.475 20 5 ECBDMO C[N@@H+](CCNC(=O)CN1CCOCC1)Cc1cccc([N+](=O)[O-])c1 ZINC001267191950 836952354 /nfs/dbraw/zinc/95/23/54/836952354.db2.gz ARVYKGASSLOOFX-UHFFFAOYSA-N 1 1 336.392 0.475 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cc1 ZINC001267324961 837202793 /nfs/dbraw/zinc/20/27/93/837202793.db2.gz ADRIORCIWXQXQM-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO NC(=O)c1ccc(C[N@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC001267324961 837202800 /nfs/dbraw/zinc/20/28/00/837202800.db2.gz ADRIORCIWXQXQM-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])C2CC2)cc1 ZINC001267324961 837202803 /nfs/dbraw/zinc/20/28/03/837202803.db2.gz ADRIORCIWXQXQM-HUUCEWRRSA-N 1 1 346.387 0.531 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426099565 210131333 /nfs/dbraw/zinc/13/13/33/210131333.db2.gz BHFYDGLZBZWIHL-QMMMGPOBSA-N 1 1 335.286 0.829 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426099565 210131338 /nfs/dbraw/zinc/13/13/38/210131338.db2.gz BHFYDGLZBZWIHL-QMMMGPOBSA-N 1 1 335.286 0.829 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000355313322 299237298 /nfs/dbraw/zinc/23/72/98/299237298.db2.gz HEYCESQQMFONCS-STQMWFEESA-N 1 1 336.348 0.631 20 5 ECBDMO CCOCC[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000110919505 220079354 /nfs/dbraw/zinc/07/93/54/220079354.db2.gz LUTWDUMGYMCDEC-UHFFFAOYSA-N 1 1 325.369 0.362 20 5 ECBDMO CCNC(=O)C(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459582807 211845924 /nfs/dbraw/zinc/84/59/24/211845924.db2.gz GAHCUTXIHUFODA-UHFFFAOYSA-N 1 1 343.405 0.873 20 5 ECBDMO CNc1nc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000455642991 211626595 /nfs/dbraw/zinc/62/65/95/211626595.db2.gz SIORCEJZRQVOKQ-LLVKDONJSA-N 1 1 337.380 0.872 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265201606 247293257 /nfs/dbraw/zinc/29/32/57/247293257.db2.gz KAIZTLFWRVOBSL-LBPRGKRZSA-N 1 1 343.405 0.974 20 5 ECBDMO Cn1ccc(C[NH2+]CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000265297233 247380798 /nfs/dbraw/zinc/38/07/98/247380798.db2.gz LYVIVVUSZHJKPZ-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO COCCOC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557186 211328993 /nfs/dbraw/zinc/32/89/93/211328993.db2.gz BMUGWWFLPCNKSD-JSGCOSHPSA-N 1 1 340.380 0.500 20 5 ECBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000447379706 211185765 /nfs/dbraw/zinc/18/57/65/211185765.db2.gz CAOXELJIGNFHKR-CHWSQXEVSA-N 1 1 328.369 0.137 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000444173863 211056475 /nfs/dbraw/zinc/05/64/75/211056475.db2.gz DUDTWKPYRQQZFW-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000444173863 211056479 /nfs/dbraw/zinc/05/64/79/211056479.db2.gz DUDTWKPYRQQZFW-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268690989 252142746 /nfs/dbraw/zinc/14/27/46/252142746.db2.gz RRWYGTJBRXBVJB-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950536 208176514 /nfs/dbraw/zinc/17/65/14/208176514.db2.gz WRJLERQURDSRFL-OCCSQVGLSA-N 1 1 337.376 0.745 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428819223 210285405 /nfs/dbraw/zinc/28/54/05/210285405.db2.gz HCCLYWPIQOAGST-CQSZACIVSA-N 1 1 345.359 0.997 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866095 221198720 /nfs/dbraw/zinc/19/87/20/221198720.db2.gz PBNIOVUJCLDSLO-GFCCVEGCSA-N 1 1 335.364 0.335 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866095 221198722 /nfs/dbraw/zinc/19/87/22/221198722.db2.gz PBNIOVUJCLDSLO-GFCCVEGCSA-N 1 1 335.364 0.335 20 5 ECBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000247402213 165159955 /nfs/dbraw/zinc/15/99/55/165159955.db2.gz LVLFCSCZFIQJKJ-STQMWFEESA-N 1 1 345.359 0.683 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CC(C)(CO)CO ZINC000159577749 225243842 /nfs/dbraw/zinc/24/38/42/225243842.db2.gz PYUMKVWRXATQQS-NSHDSACASA-N 1 1 325.365 0.845 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CC(C)(CO)CO ZINC000159577749 225243847 /nfs/dbraw/zinc/24/38/47/225243847.db2.gz PYUMKVWRXATQQS-NSHDSACASA-N 1 1 325.365 0.845 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000171506629 227114310 /nfs/dbraw/zinc/11/43/10/227114310.db2.gz DHTFQMSYYBLUOE-UHFFFAOYSA-N 1 1 329.378 0.284 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000171506629 227114315 /nfs/dbraw/zinc/11/43/15/227114315.db2.gz DHTFQMSYYBLUOE-UHFFFAOYSA-N 1 1 329.378 0.284 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331736555 296963745 /nfs/dbraw/zinc/96/37/45/296963745.db2.gz UBIMQBDCFQQKHO-LBPRGKRZSA-N 1 1 337.380 0.513 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000269473119 263184352 /nfs/dbraw/zinc/18/43/52/263184352.db2.gz UWPGGHMXJWVCTG-JTQLQIEISA-N 1 1 325.369 0.844 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000272953631 263382084 /nfs/dbraw/zinc/38/20/84/263382084.db2.gz QOXVKCWOSKNWSE-LLVKDONJSA-N 1 1 336.348 0.752 20 5 ECBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[N@H+](C)C1 ZINC000285077676 264275173 /nfs/dbraw/zinc/27/51/73/264275173.db2.gz OYZIMPYDJRWXJS-STQMWFEESA-N 1 1 343.405 0.934 20 5 ECBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)[N@@H+](C)C1 ZINC000285077676 264275175 /nfs/dbraw/zinc/27/51/75/264275175.db2.gz OYZIMPYDJRWXJS-STQMWFEESA-N 1 1 343.405 0.934 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000295256352 265055537 /nfs/dbraw/zinc/05/55/37/265055537.db2.gz GLFMGQOZCJQJLE-UHFFFAOYSA-N 1 1 343.405 0.638 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000189451663 437598746 /nfs/dbraw/zinc/59/87/46/437598746.db2.gz PCYJVNJWUJCAAN-CYBMUJFWSA-N 1 1 338.408 0.534 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000359842306 299902274 /nfs/dbraw/zinc/90/22/74/299902274.db2.gz PYESMUOECXNYTE-LLVKDONJSA-N 1 1 335.364 0.366 20 5 ECBDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582355 300107894 /nfs/dbraw/zinc/10/78/94/300107894.db2.gz IZOOAVPHIBMIAD-DOMZBBRYSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582355 300107896 /nfs/dbraw/zinc/10/78/96/300107896.db2.gz IZOOAVPHIBMIAD-DOMZBBRYSA-N 1 1 349.387 0.956 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362995491 300240203 /nfs/dbraw/zinc/24/02/03/300240203.db2.gz XYXMEUSCBNLSGP-STQMWFEESA-N 1 1 337.380 0.469 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000363944020 300309730 /nfs/dbraw/zinc/30/97/30/300309730.db2.gz YIQGMHRZTMDQJY-CYBMUJFWSA-N 1 1 337.380 0.423 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000376494221 301267416 /nfs/dbraw/zinc/26/74/16/301267416.db2.gz DGCMDCSLKAQTIF-CABCVRRESA-N 1 1 334.376 0.969 20 5 ECBDMO CC(C)C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000077678972 436247451 /nfs/dbraw/zinc/24/74/51/436247451.db2.gz XWYKUSXJDOLTFM-LBPRGKRZSA-N 1 1 340.384 0.049 20 5 ECBDMO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000089344410 436409968 /nfs/dbraw/zinc/40/99/68/436409968.db2.gz LDCBTKQAGHENRF-KGLIPLIRSA-N 1 1 325.409 0.927 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000046456895 436395038 /nfs/dbraw/zinc/39/50/38/436395038.db2.gz SGXSPSSYZKYGEY-UHFFFAOYSA-N 1 1 335.364 0.117 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000090588796 436434276 /nfs/dbraw/zinc/43/42/76/436434276.db2.gz RZDVVVDLMNNLCS-CYBMUJFWSA-N 1 1 332.364 0.760 20 5 ECBDMO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(N)=O ZINC000109330544 436624193 /nfs/dbraw/zinc/62/41/93/436624193.db2.gz WKTDCTGWQNTWRS-CQSZACIVSA-N 1 1 334.376 0.974 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000109688808 436625748 /nfs/dbraw/zinc/62/57/48/436625748.db2.gz KRJWFIXVKSZXJN-UHFFFAOYSA-N 1 1 339.396 0.799 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000530572614 302016819 /nfs/dbraw/zinc/01/68/19/302016819.db2.gz HHTHWYZUYMQXHW-CQSZACIVSA-N 1 1 349.391 0.359 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000530572614 302016822 /nfs/dbraw/zinc/01/68/22/302016822.db2.gz HHTHWYZUYMQXHW-CQSZACIVSA-N 1 1 349.391 0.359 20 5 ECBDMO C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC000549189315 302337322 /nfs/dbraw/zinc/33/73/22/302337322.db2.gz DPROJSBGEUCURY-UHFFFAOYSA-N 1 1 336.396 0.606 20 5 ECBDMO CCC1(CC)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000248900772 436812278 /nfs/dbraw/zinc/81/22/78/436812278.db2.gz ADTAVTAYIVFJKT-JCQPUDPBSA-N 1 1 344.437 0.775 20 5 ECBDMO CCC1(CC)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000248900772 436812283 /nfs/dbraw/zinc/81/22/83/436812283.db2.gz ADTAVTAYIVFJKT-JCQPUDPBSA-N 1 1 344.437 0.775 20 5 ECBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000248987437 436813173 /nfs/dbraw/zinc/81/31/73/436813173.db2.gz WQSMFTCUKXLSRW-VXGBXAGGSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](C)CO ZINC000248987437 436813177 /nfs/dbraw/zinc/81/31/77/436813177.db2.gz WQSMFTCUKXLSRW-VXGBXAGGSA-N 1 1 337.376 0.548 20 5 ECBDMO COc1ccc(CC(=O)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000069367786 436769310 /nfs/dbraw/zinc/76/93/10/436769310.db2.gz KZHNJMFGPQNHGD-UHFFFAOYSA-N 1 1 337.376 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000069577130 436780995 /nfs/dbraw/zinc/78/09/95/436780995.db2.gz DRBZUEREZWYAQX-GFCCVEGCSA-N 1 1 339.396 0.753 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000274387765 436822304 /nfs/dbraw/zinc/82/23/04/436822304.db2.gz ANLMUURQSOCHCC-GFCCVEGCSA-N 1 1 334.376 0.971 20 5 ECBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000158487474 436844198 /nfs/dbraw/zinc/84/41/98/436844198.db2.gz XGMWGKHCFPCPCX-YJNKXOJESA-N 1 1 340.380 0.421 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000274504327 436835119 /nfs/dbraw/zinc/83/51/19/436835119.db2.gz FOTDOYUCSMNBQG-UHFFFAOYSA-N 1 1 339.348 0.425 20 5 ECBDMO CCS(=O)(=O)N(C)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000157971049 436835767 /nfs/dbraw/zinc/83/57/67/436835767.db2.gz ZCWXDOOZQIHFMC-UHFFFAOYSA-N 1 1 345.425 0.537 20 5 ECBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956671 436899652 /nfs/dbraw/zinc/89/96/52/436899652.db2.gz IATRCJZCMOTALA-WXHSDQCUSA-N 1 1 326.353 0.426 20 5 ECBDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956671 436899654 /nfs/dbraw/zinc/89/96/54/436899654.db2.gz IATRCJZCMOTALA-WXHSDQCUSA-N 1 1 326.353 0.426 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000162632337 436911092 /nfs/dbraw/zinc/91/10/92/436911092.db2.gz DAEFKPBRVPVMDU-CYBMUJFWSA-N 1 1 336.396 0.030 20 5 ECBDMO CN(C)C(=O)O[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295603657 436972888 /nfs/dbraw/zinc/97/28/88/436972888.db2.gz NIEIKSIFLZGCHA-ZDUSSCGKSA-N 1 1 338.364 0.919 20 5 ECBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295603657 436972893 /nfs/dbraw/zinc/97/28/93/436972893.db2.gz NIEIKSIFLZGCHA-ZDUSSCGKSA-N 1 1 338.364 0.919 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O)Cc1ccccc1 ZINC000295836625 436980475 /nfs/dbraw/zinc/98/04/75/436980475.db2.gz WOMRGISKTLIGML-UHFFFAOYSA-N 1 1 330.344 0.987 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000264454744 437032678 /nfs/dbraw/zinc/03/26/78/437032678.db2.gz DEMZMGCSNQBWRL-LLVKDONJSA-N 1 1 338.320 0.954 20 5 ECBDMO Cn1ccc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000263852306 436994878 /nfs/dbraw/zinc/99/48/78/436994878.db2.gz PLRZLDWFYBQZGG-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281789190 436996910 /nfs/dbraw/zinc/99/69/10/436996910.db2.gz NWABOLUHVPSYQX-UHFFFAOYSA-N 1 1 338.412 0.636 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264728170 437072923 /nfs/dbraw/zinc/07/29/23/437072923.db2.gz YXNCCRUDVCNOFP-JTQLQIEISA-N 1 1 346.343 0.259 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000182087853 437337829 /nfs/dbraw/zinc/33/78/29/437337829.db2.gz KKOZJZWRCPIXKB-GFCCVEGCSA-N 1 1 325.369 0.361 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000278734088 437339377 /nfs/dbraw/zinc/33/93/77/437339377.db2.gz LARVMTXPKJNEQV-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000183195288 437379369 /nfs/dbraw/zinc/37/93/69/437379369.db2.gz AEGLKFWSZRXNOE-LBPRGKRZSA-N 1 1 334.376 0.701 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000279228805 437386151 /nfs/dbraw/zinc/38/61/51/437386151.db2.gz OPFPJUCDNZJWQX-UHFFFAOYSA-N 1 1 326.328 0.768 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000279304946 437393153 /nfs/dbraw/zinc/39/31/53/437393153.db2.gz ZXCJHDLQLXCLHS-UHFFFAOYSA-N 1 1 339.371 0.683 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000343034892 437486648 /nfs/dbraw/zinc/48/66/48/437486648.db2.gz BVSCXRSONSMKCX-LLVKDONJSA-N 1 1 338.364 0.588 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000343034892 437486654 /nfs/dbraw/zinc/48/66/54/437486654.db2.gz BVSCXRSONSMKCX-LLVKDONJSA-N 1 1 338.364 0.588 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338981796 437432365 /nfs/dbraw/zinc/43/23/65/437432365.db2.gz PXPYLKKMMBUFND-SNVBAGLBSA-N 1 1 344.393 0.306 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338981796 437432369 /nfs/dbraw/zinc/43/23/69/437432369.db2.gz PXPYLKKMMBUFND-SNVBAGLBSA-N 1 1 344.393 0.306 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289910619 437448406 /nfs/dbraw/zinc/44/84/06/437448406.db2.gz NYMJZAKYHDAWKH-WCQYABFASA-N 1 1 340.771 0.949 20 5 ECBDMO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000187290561 437498233 /nfs/dbraw/zinc/49/82/33/437498233.db2.gz HCHNXDRWOFBGQL-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187290561 437498238 /nfs/dbraw/zinc/49/82/38/437498238.db2.gz HCHNXDRWOFBGQL-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000343096565 437504430 /nfs/dbraw/zinc/50/44/30/437504430.db2.gz FOWNCDKPZHDLPH-OAHLLOKOSA-N 1 1 333.392 0.513 20 5 ECBDMO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CC(C)(C)O ZINC000188696639 437567325 /nfs/dbraw/zinc/56/73/25/437567325.db2.gz WZOKZBSWCZOQBI-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CC(C)(C)O ZINC000188696639 437567326 /nfs/dbraw/zinc/56/73/26/437567326.db2.gz WZOKZBSWCZOQBI-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000343986606 437714547 /nfs/dbraw/zinc/71/45/47/437714547.db2.gz QPXQZSRPFVRCDC-NXEZZACHSA-N 1 1 331.398 0.572 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000343986606 437714551 /nfs/dbraw/zinc/71/45/51/437714551.db2.gz QPXQZSRPFVRCDC-NXEZZACHSA-N 1 1 331.398 0.572 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356458838 437767734 /nfs/dbraw/zinc/76/77/34/437767734.db2.gz PUKLYNVIEIOANC-GFCCVEGCSA-N 1 1 338.412 0.332 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000365538582 437930450 /nfs/dbraw/zinc/93/04/50/437930450.db2.gz NNAILXSHRHYFBZ-UHFFFAOYSA-N 1 1 338.364 0.880 20 5 ECBDMO CC(C)OC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166594 438042259 /nfs/dbraw/zinc/04/22/59/438042259.db2.gz JEWSLLPOQVTIIZ-KBPBESRZSA-N 1 1 328.369 0.278 20 5 ECBDMO CC(C)OC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166594 438042263 /nfs/dbraw/zinc/04/22/63/438042263.db2.gz JEWSLLPOQVTIIZ-KBPBESRZSA-N 1 1 328.369 0.278 20 5 ECBDMO CCN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ncc[nH]1 ZINC000348413978 438059172 /nfs/dbraw/zinc/05/91/72/438059172.db2.gz SWTMLCIWFGELEG-UONOGXRCSA-N 1 1 349.395 0.254 20 5 ECBDMO CCN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ncc[nH]1 ZINC000348413978 438059178 /nfs/dbraw/zinc/05/91/78/438059178.db2.gz SWTMLCIWFGELEG-UONOGXRCSA-N 1 1 349.395 0.254 20 5 ECBDMO CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372283800 438062822 /nfs/dbraw/zinc/06/28/22/438062822.db2.gz UXVKTQLQYSCPIY-LLVKDONJSA-N 1 1 331.398 0.368 20 5 ECBDMO CCS(=O)(=O)NCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372283800 438062828 /nfs/dbraw/zinc/06/28/28/438062828.db2.gz UXVKTQLQYSCPIY-LLVKDONJSA-N 1 1 331.398 0.368 20 5 ECBDMO C[C@H]1C[N@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034618 438128186 /nfs/dbraw/zinc/12/81/86/438128186.db2.gz HIKPOPMGOVRQGY-SMDDNHRTSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034618 438128189 /nfs/dbraw/zinc/12/81/89/438128189.db2.gz HIKPOPMGOVRQGY-SMDDNHRTSA-N 1 1 342.421 0.413 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000358062278 438137413 /nfs/dbraw/zinc/13/74/13/438137413.db2.gz HGNSVZQYOVOBMW-INIZCTEOSA-N 1 1 330.344 0.939 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358202310 438180530 /nfs/dbraw/zinc/18/05/30/438180530.db2.gz RIYMDEUBBPFNLX-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO C[C@H]1C[N@H+](C)C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229855 438187326 /nfs/dbraw/zinc/18/73/26/438187326.db2.gz XQUVLAKLFRMDMB-SMDDNHRTSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229855 438187331 /nfs/dbraw/zinc/18/73/31/438187331.db2.gz XQUVLAKLFRMDMB-SMDDNHRTSA-N 1 1 342.421 0.413 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367990758 438274618 /nfs/dbraw/zinc/27/46/18/438274618.db2.gz YSQNLZPUILNUII-SNVBAGLBSA-N 1 1 336.348 0.739 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367990758 438274623 /nfs/dbraw/zinc/27/46/23/438274623.db2.gz YSQNLZPUILNUII-SNVBAGLBSA-N 1 1 336.348 0.739 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368100443 438288744 /nfs/dbraw/zinc/28/87/44/438288744.db2.gz QFDLRKWFOBWNQU-RISCZKNCSA-N 1 1 332.360 0.991 20 5 ECBDMO CNC(=O)C[N@@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000368830521 438386740 /nfs/dbraw/zinc/38/67/40/438386740.db2.gz QXMBPMKOXCWNRA-UHFFFAOYSA-N 1 1 336.392 0.857 20 5 ECBDMO CNC(=O)C[N@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000368830521 438386745 /nfs/dbraw/zinc/38/67/45/438386745.db2.gz QXMBPMKOXCWNRA-UHFFFAOYSA-N 1 1 336.392 0.857 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)S(C)(=O)=O ZINC000352550684 438438620 /nfs/dbraw/zinc/43/86/20/438438620.db2.gz PBVKJPZANZCICJ-GFCCVEGCSA-N 1 1 345.425 0.395 20 5 ECBDMO CCN1CCC([N@@H+]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000420625562 438414365 /nfs/dbraw/zinc/41/43/65/438414365.db2.gz KQRXJIWTRKQPEB-UHFFFAOYSA-N 1 1 349.439 0.963 20 5 ECBDMO CCN1CCC([N@H+]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000420625562 438414369 /nfs/dbraw/zinc/41/43/69/438414369.db2.gz KQRXJIWTRKQPEB-UHFFFAOYSA-N 1 1 349.439 0.963 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(C)COC1 ZINC000421014925 438461598 /nfs/dbraw/zinc/46/15/98/438461598.db2.gz KUHFTRKOFPYBNX-UHFFFAOYSA-N 1 1 343.405 0.841 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000369825418 438519673 /nfs/dbraw/zinc/51/96/73/438519673.db2.gz IRWYYHBDAWDKBJ-OCCSQVGLSA-N 1 1 337.380 0.143 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000353661241 438520066 /nfs/dbraw/zinc/52/00/66/438520066.db2.gz ORZZDCSWQCGSIS-GDBMZVCRSA-N 1 1 332.360 0.744 20 5 ECBDMO Cn1cc([C@@H]2[C@@H](CNc3ncc([N+](=O)[O-])c(N)n3)CCC[N@H+]2C)cn1 ZINC000370180375 438557329 /nfs/dbraw/zinc/55/73/29/438557329.db2.gz CCDUTXPUFQHXKF-MFKMUULPSA-N 1 1 346.395 0.617 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000452095655 438637824 /nfs/dbraw/zinc/63/78/24/438637824.db2.gz ZCDZGGVNEAHTIC-UHFFFAOYSA-N 1 1 345.425 0.964 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452348289 438652914 /nfs/dbraw/zinc/65/29/14/438652914.db2.gz KWYWWRODJPBQFK-CQSZACIVSA-N 1 1 337.376 0.937 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453948328 438703404 /nfs/dbraw/zinc/70/34/04/438703404.db2.gz ZLNDCJSPTJGZHT-GXFFZTMASA-N 1 1 348.359 0.704 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000575239412 438743189 /nfs/dbraw/zinc/74/31/89/438743189.db2.gz YBESIQCPPBYPBQ-BZPMIXESSA-N 1 1 326.349 0.010 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457092186 438791372 /nfs/dbraw/zinc/79/13/72/438791372.db2.gz GHXUEUAABAPNJH-JTQLQIEISA-N 1 1 337.332 0.462 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000457092186 438791375 /nfs/dbraw/zinc/79/13/75/438791375.db2.gz GHXUEUAABAPNJH-JTQLQIEISA-N 1 1 337.332 0.462 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000514606035 438817800 /nfs/dbraw/zinc/81/78/00/438817800.db2.gz URGYPDQRTNUKKU-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000595728766 438851453 /nfs/dbraw/zinc/85/14/53/438851453.db2.gz OQKLYAAOEDLVAY-HZSPNIEDSA-N 1 1 349.387 0.935 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590440745 438923974 /nfs/dbraw/zinc/92/39/74/438923974.db2.gz BJPPUDSHGNPIKW-OCCSQVGLSA-N 1 1 332.360 0.487 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596193088 438939254 /nfs/dbraw/zinc/93/92/54/438939254.db2.gz ABVGOKTYXBBEHJ-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+](C)C1 ZINC000596271254 438949179 /nfs/dbraw/zinc/94/91/79/438949179.db2.gz YLPBFPNPPRTFJY-SNVBAGLBSA-N 1 1 336.348 0.235 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000590808400 438958975 /nfs/dbraw/zinc/95/89/75/438958975.db2.gz SSPCYMMHQDSERA-CYBMUJFWSA-N 1 1 348.407 0.916 20 5 ECBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459831510 439013213 /nfs/dbraw/zinc/01/32/13/439013213.db2.gz RVDYIWKHVFWBOG-LJWDBELGSA-N 1 1 339.348 0.934 20 5 ECBDMO CO[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@](C)(CO)C1 ZINC000602963804 439172200 /nfs/dbraw/zinc/17/22/00/439172200.db2.gz IQMCLXARVBBYSR-RHSMWYFYSA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@](C)(CO)C1 ZINC000602963804 439172203 /nfs/dbraw/zinc/17/22/03/439172203.db2.gz IQMCLXARVBBYSR-RHSMWYFYSA-N 1 1 349.387 0.956 20 5 ECBDMO COc1ccc(CC(=O)N2CC(C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000597681736 439157337 /nfs/dbraw/zinc/15/73/37/439157337.db2.gz FLTBBENJDBHIOP-UHFFFAOYSA-N 1 1 349.387 0.937 20 5 ECBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC(C[NH+]2CCOCC2)C1 ZINC000597681445 439158174 /nfs/dbraw/zinc/15/81/74/439158174.db2.gz BRACSTDVBQCACI-UHFFFAOYSA-N 1 1 349.343 0.728 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000597991811 439209145 /nfs/dbraw/zinc/20/91/45/439209145.db2.gz SFTUXRJRSBLPCS-CYBMUJFWSA-N 1 1 345.359 0.815 20 5 ECBDMO CN(CCN1CC[NH2+]CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000592469201 439234065 /nfs/dbraw/zinc/23/40/65/439234065.db2.gz KFSGJKSTHPUAMS-UHFFFAOYSA-N 1 1 332.364 0.448 20 5 ECBDMO O=c1ccccn1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000604510602 439316801 /nfs/dbraw/zinc/31/68/01/439316801.db2.gz RLVMRYBFTRCYNM-UHFFFAOYSA-N 1 1 329.360 0.974 20 5 ECBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(=O)n2nc(N)[nH]c2n1 ZINC000598614894 439289323 /nfs/dbraw/zinc/28/93/23/439289323.db2.gz OCTQPBCUZGCFFK-UHFFFAOYSA-N 1 1 343.347 0.413 20 5 ECBDMO COC(=O)c1ccnc(N2CC(C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000598627410 439291920 /nfs/dbraw/zinc/29/19/20/439291920.db2.gz PFYSAKYBCUVNRE-UHFFFAOYSA-N 1 1 336.348 0.545 20 5 ECBDMO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@H]2O1 ZINC000593115153 439346588 /nfs/dbraw/zinc/34/65/88/439346588.db2.gz CNGAWFNFIABOEI-JHJVBQTASA-N 1 1 326.353 0.030 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@H]2O1 ZINC000593115153 439346592 /nfs/dbraw/zinc/34/65/92/439346592.db2.gz CNGAWFNFIABOEI-JHJVBQTASA-N 1 1 326.353 0.030 20 5 ECBDMO NC(=O)c1coc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)c1 ZINC000582602187 439356106 /nfs/dbraw/zinc/35/61/06/439356106.db2.gz OJTVJUWFVWFOSC-GFCCVEGCSA-N 1 1 335.316 0.816 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000599228920 439391071 /nfs/dbraw/zinc/39/10/71/439391071.db2.gz NOAFMSUBMJBJHM-JTQLQIEISA-N 1 1 329.382 0.091 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593452904 439382830 /nfs/dbraw/zinc/38/28/30/439382830.db2.gz JGCALZCXENBXHO-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1c[nH]nc1[N+](=O)[O-] ZINC000583058892 439413753 /nfs/dbraw/zinc/41/37/53/439413753.db2.gz CRACIGKBSPDGLI-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000583141069 439425781 /nfs/dbraw/zinc/42/57/81/439425781.db2.gz VJNRQFCPSDZCBD-TZMCWYRMSA-N 1 1 339.348 0.935 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nnc3n2CCC3)c1 ZINC000583559956 439480568 /nfs/dbraw/zinc/48/05/68/439480568.db2.gz POVJVUJUAMCTNV-GFCCVEGCSA-N 1 1 333.348 0.662 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688668 439535980 /nfs/dbraw/zinc/53/59/80/439535980.db2.gz LIKNIWLONFCOMD-OPDFLTKYSA-N 1 1 340.380 0.814 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594348824 439545181 /nfs/dbraw/zinc/54/51/81/439545181.db2.gz ABFDBFXEXQSNNR-UHFFFAOYSA-N 1 1 345.363 0.704 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594420430 439557803 /nfs/dbraw/zinc/55/78/03/439557803.db2.gz TVCMXVXUYQDXMZ-OLZOCXBDSA-N 1 1 334.376 0.890 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000609359029 439566975 /nfs/dbraw/zinc/56/69/75/439566975.db2.gz LFHAKAJFPZSRPT-AWEZNQCLSA-N 1 1 349.391 0.734 20 5 ECBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938519 439580900 /nfs/dbraw/zinc/58/09/00/439580900.db2.gz CKHOHOSNAYVOLF-KGLIPLIRSA-N 1 1 337.351 0.944 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664904 439582558 /nfs/dbraw/zinc/58/25/58/439582558.db2.gz MPJBIYJEQBRXSG-GFCCVEGCSA-N 1 1 336.396 0.478 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664904 439582562 /nfs/dbraw/zinc/58/25/62/439582562.db2.gz MPJBIYJEQBRXSG-GFCCVEGCSA-N 1 1 336.396 0.478 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000609664904 439582566 /nfs/dbraw/zinc/58/25/66/439582566.db2.gz MPJBIYJEQBRXSG-GFCCVEGCSA-N 1 1 336.396 0.478 20 5 ECBDMO CN1C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682260 439600972 /nfs/dbraw/zinc/60/09/72/439600972.db2.gz KGEJNYFHOSCEPG-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO COC1CC[NH+](CCNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610574610 439627838 /nfs/dbraw/zinc/62/78/38/439627838.db2.gz IZAAXUJMAWUWDM-UHFFFAOYSA-N 1 1 344.393 0.379 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600808698 439704649 /nfs/dbraw/zinc/70/46/49/439704649.db2.gz PPYMMKWBIIUPEF-AWEZNQCLSA-N 1 1 345.359 0.577 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595312907 439697787 /nfs/dbraw/zinc/69/77/87/439697787.db2.gz PEPZLFJCZGBFMF-JTQLQIEISA-N 1 1 346.384 0.739 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595312907 439697791 /nfs/dbraw/zinc/69/77/91/439697791.db2.gz PEPZLFJCZGBFMF-JTQLQIEISA-N 1 1 346.384 0.739 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347218365 321234192 /nfs/dbraw/zinc/23/41/92/321234192.db2.gz HUKVRSGCZNMXTF-JTQLQIEISA-N 1 1 325.369 0.165 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCN(C)CC1 ZINC000347515726 321242675 /nfs/dbraw/zinc/24/26/75/321242675.db2.gz GZWXCGVJCSOQLR-LBPRGKRZSA-N 1 1 338.412 0.330 20 5 ECBDMO O=C(CCN1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000352508551 321362625 /nfs/dbraw/zinc/36/26/25/321362625.db2.gz HLXWDNDNBMQESH-MRXNPFEDSA-N 1 1 347.419 0.903 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000548313228 322154198 /nfs/dbraw/zinc/15/41/98/322154198.db2.gz UWINTNLDSGVLFN-GFCCVEGCSA-N 1 1 337.376 0.671 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@@H+](CCO)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000548313228 322154202 /nfs/dbraw/zinc/15/42/02/322154202.db2.gz UWINTNLDSGVLFN-GFCCVEGCSA-N 1 1 337.376 0.671 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000560743125 322249601 /nfs/dbraw/zinc/24/96/01/322249601.db2.gz HQRHAPAJMNVRJG-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO CCN1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190160704 529040356 /nfs/dbraw/zinc/04/03/56/529040356.db2.gz ITEHCJHSXLTENC-AWEZNQCLSA-N 1 1 337.376 0.889 20 5 ECBDMO CCN1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190160704 529040362 /nfs/dbraw/zinc/04/03/62/529040362.db2.gz ITEHCJHSXLTENC-AWEZNQCLSA-N 1 1 337.376 0.889 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264899240 535705707 /nfs/dbraw/zinc/70/57/07/535705707.db2.gz LCAZYYNKXXMBQN-NSHDSACASA-N 1 1 338.412 0.630 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@H](C)O ZINC000246796897 536128429 /nfs/dbraw/zinc/12/84/29/536128429.db2.gz JRTJDGJLUHTVJU-JQWIXIFHSA-N 1 1 339.396 0.554 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@H](C)O ZINC000246796897 536128436 /nfs/dbraw/zinc/12/84/36/536128436.db2.gz JRTJDGJLUHTVJU-JQWIXIFHSA-N 1 1 339.396 0.554 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253035 546311414 /nfs/dbraw/zinc/31/14/14/546311414.db2.gz PQJOMHSFTJUYBI-STQMWFEESA-N 1 1 338.339 0.401 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736864126 578458957 /nfs/dbraw/zinc/45/89/57/578458957.db2.gz PITRCLXGZCJZPE-NSHDSACASA-N 1 1 332.368 0.433 20 5 ECBDMO Cc1nn(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000788381283 578835803 /nfs/dbraw/zinc/83/58/03/578835803.db2.gz HHQPECSULYXKKO-OAHLLOKOSA-N 1 1 330.348 0.817 20 5 ECBDMO Cc1nn(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000788381283 578835804 /nfs/dbraw/zinc/83/58/04/578835804.db2.gz HHQPECSULYXKKO-OAHLLOKOSA-N 1 1 330.348 0.817 20 5 ECBDMO Cc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c(N)c([N+](=O)[O-])c1 ZINC000774273336 579244807 /nfs/dbraw/zinc/24/48/07/579244807.db2.gz HHOYGAJGHAULOY-GFCCVEGCSA-N 1 1 333.392 0.605 20 5 ECBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+](CCO)CCN2CCOCC2)cc1 ZINC000776591238 579285320 /nfs/dbraw/zinc/28/53/20/579285320.db2.gz HYQDLMDUHAURCL-MRXNPFEDSA-N 1 1 339.392 0.255 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000841456612 588988540 /nfs/dbraw/zinc/98/85/40/588988540.db2.gz JDBWZQCNGFENCA-XUJVJEKNSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000841456612 588988542 /nfs/dbraw/zinc/98/85/42/588988542.db2.gz JDBWZQCNGFENCA-XUJVJEKNSA-N 1 1 337.376 0.542 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839720176 586890031 /nfs/dbraw/zinc/89/00/31/586890031.db2.gz ICSBCPIHVQUEJK-XUWVNRHRSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720176 586890033 /nfs/dbraw/zinc/89/00/33/586890033.db2.gz ICSBCPIHVQUEJK-XUWVNRHRSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839720176 586890034 /nfs/dbraw/zinc/89/00/34/586890034.db2.gz ICSBCPIHVQUEJK-XUWVNRHRSA-N 1 1 333.388 0.651 20 5 ECBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(C(N)=O)n1 ZINC000806630876 587101922 /nfs/dbraw/zinc/10/19/22/587101922.db2.gz IOCWWEMKDZMXNZ-LBPRGKRZSA-N 1 1 333.348 0.383 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821329120 587585893 /nfs/dbraw/zinc/58/58/93/587585893.db2.gz VLCSIIZMBSRINK-OKILXGFUSA-N 1 1 346.387 0.968 20 5 ECBDMO CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000821329120 587585894 /nfs/dbraw/zinc/58/58/94/587585894.db2.gz VLCSIIZMBSRINK-OKILXGFUSA-N 1 1 346.387 0.968 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825747376 587959016 /nfs/dbraw/zinc/95/90/16/587959016.db2.gz UPFVGZKIKYEBLL-DZGCQCFKSA-N 1 1 337.376 0.855 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307744 589288002 /nfs/dbraw/zinc/28/80/02/589288002.db2.gz MLZRMIOLOCECJU-QWHCGFSZSA-N 1 1 334.376 0.552 20 5 ECBDMO CC(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000854632437 589597356 /nfs/dbraw/zinc/59/73/56/589597356.db2.gz MGMHPQVAWNVVGW-YIYPIFLZSA-N 1 1 340.424 0.345 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)n1 ZINC000856545058 589667184 /nfs/dbraw/zinc/66/71/84/589667184.db2.gz WPWZZESYRFSOLC-UONOGXRCSA-N 1 1 344.375 0.642 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)n1 ZINC000856545058 589667185 /nfs/dbraw/zinc/66/71/85/589667185.db2.gz WPWZZESYRFSOLC-UONOGXRCSA-N 1 1 344.375 0.642 20 5 ECBDMO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000858867343 589779647 /nfs/dbraw/zinc/77/96/47/589779647.db2.gz NEZVGKAZPIBHPT-NSHDSACASA-N 1 1 340.336 0.782 20 5 ECBDMO CN(C)S(=O)(=O)N1CC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862536821 589942568 /nfs/dbraw/zinc/94/25/68/589942568.db2.gz NBPQNEJWBCIBCN-UHFFFAOYSA-N 1 1 348.812 0.828 20 5 ECBDMO O=C1OC[C@H]2C[N@@H+](CN3CC[C@@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]12 ZINC000863338975 590005600 /nfs/dbraw/zinc/00/56/00/590005600.db2.gz XUXULAFKFKQWIF-VHDGCEQUSA-N 1 1 345.355 0.973 20 5 ECBDMO O=C1OC[C@H]2C[N@H+](CN3CC[C@@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]12 ZINC000863338975 590005602 /nfs/dbraw/zinc/00/56/02/590005602.db2.gz XUXULAFKFKQWIF-VHDGCEQUSA-N 1 1 345.355 0.973 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+](C)CCN(C)C ZINC000936010048 611424820 /nfs/dbraw/zinc/42/48/20/611424820.db2.gz ULIBIXDKYBUGKY-UHFFFAOYSA-N 1 1 326.401 0.099 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN(C)CC[NH+](C)C ZINC000936010048 611424822 /nfs/dbraw/zinc/42/48/22/611424822.db2.gz ULIBIXDKYBUGKY-UHFFFAOYSA-N 1 1 326.401 0.099 20 5 ECBDMO CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](CC[N+](=O)[O-])C2)CC1 ZINC000930473675 611432179 /nfs/dbraw/zinc/43/21/79/611432179.db2.gz VSCJSGXESTYRLM-ZDUSSCGKSA-N 1 1 328.413 0.890 20 5 ECBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000931403898 611536632 /nfs/dbraw/zinc/53/66/32/611536632.db2.gz QLWULYFSMKFWLL-LBPRGKRZSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000931403898 611536634 /nfs/dbraw/zinc/53/66/34/611536634.db2.gz QLWULYFSMKFWLL-LBPRGKRZSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1CO ZINC000931403898 611536637 /nfs/dbraw/zinc/53/66/37/611536637.db2.gz QLWULYFSMKFWLL-LBPRGKRZSA-N 1 1 340.355 0.671 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406036 611537322 /nfs/dbraw/zinc/53/73/22/611537322.db2.gz MHEUNSMFQWZIPE-CHWSQXEVSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406036 611537325 /nfs/dbraw/zinc/53/73/25/611537325.db2.gz MHEUNSMFQWZIPE-CHWSQXEVSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000932714445 611658585 /nfs/dbraw/zinc/65/85/85/611658585.db2.gz IEAJRWIEOSHJMM-LBPRGKRZSA-N 1 1 338.412 0.099 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928092207 611672921 /nfs/dbraw/zinc/67/29/21/611672921.db2.gz GZFCXPCXQANSBB-QWRGUYRKSA-N 1 1 325.394 0.487 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913557171 609777125 /nfs/dbraw/zinc/77/71/25/609777125.db2.gz VJWSPPMGVLXOCF-OAHLLOKOSA-N 1 1 336.392 0.922 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913557171 609777127 /nfs/dbraw/zinc/77/71/27/609777127.db2.gz VJWSPPMGVLXOCF-OAHLLOKOSA-N 1 1 336.392 0.922 20 5 ECBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cn1 ZINC000918588034 610011702 /nfs/dbraw/zinc/01/17/02/610011702.db2.gz OSRAYIZELSZTTQ-UHFFFAOYSA-N 1 1 328.292 0.714 20 5 ECBDMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001025933481 740262141 /nfs/dbraw/zinc/26/21/41/740262141.db2.gz SHWFFLGPFDRSFV-NHAGDIPZSA-N 1 1 342.359 0.882 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001059350932 746168859 /nfs/dbraw/zinc/16/88/59/746168859.db2.gz HHWJJAQFEVYEQR-XYPYZODXSA-N 1 1 346.347 0.960 20 5 ECBDMO Cc1ncc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985425213 747972779 /nfs/dbraw/zinc/97/27/79/747972779.db2.gz DAIGEVMSPVZZJH-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1ncc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985425213 747972782 /nfs/dbraw/zinc/97/27/82/747972782.db2.gz DAIGEVMSPVZZJH-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1ncc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000985425213 747972783 /nfs/dbraw/zinc/97/27/83/747972783.db2.gz DAIGEVMSPVZZJH-HUUCEWRRSA-N 1 1 333.392 0.873 20 5 ECBDMO COc1nccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985431546 747998250 /nfs/dbraw/zinc/99/82/50/747998250.db2.gz QVYXJWFZUPXAKQ-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1nccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985431546 747998253 /nfs/dbraw/zinc/99/82/53/747998253.db2.gz QVYXJWFZUPXAKQ-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1nccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000985431546 747998255 /nfs/dbraw/zinc/99/82/55/747998255.db2.gz QVYXJWFZUPXAKQ-ZIAGYGMSSA-N 1 1 349.391 0.573 20 5 ECBDMO COc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126936950 756767633 /nfs/dbraw/zinc/76/76/33/756767633.db2.gz YGXUIXMCJMZKIJ-ZYHUDNBSSA-N 1 1 336.348 0.005 20 5 ECBDMO Cn1nc(C(F)(F)F)cc1C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938476 756799592 /nfs/dbraw/zinc/79/95/92/756799592.db2.gz AOYQGIRPWCTCFD-RKDXNWHRSA-N 1 1 335.286 0.310 20 5 ECBDMO CCc1cccc(C)c1NC(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126942602 756899951 /nfs/dbraw/zinc/89/99/51/756899951.db2.gz CJVNFMBCKSQMFY-ZIAGYGMSSA-N 1 1 348.403 0.867 20 5 ECBDMO COc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)n1 ZINC000996428831 757654508 /nfs/dbraw/zinc/65/45/08/757654508.db2.gz IPFHLQOTJCPMJV-ZIAGYGMSSA-N 1 1 349.391 0.539 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000996430108 757658604 /nfs/dbraw/zinc/65/86/04/757658604.db2.gz ZVMJOJXGOOHMHU-IUODEOHRSA-N 1 1 345.359 0.969 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1[nH]cnc1C(C)(C)C ZINC001127659831 763141988 /nfs/dbraw/zinc/14/19/88/763141988.db2.gz MYJGJRXWFNQGPJ-UHFFFAOYSA-N 1 1 349.395 0.869 20 5 ECBDMO Nc1nccnc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031588631 771351614 /nfs/dbraw/zinc/35/16/14/771351614.db2.gz NQGYRYSMQINKIH-UHFFFAOYSA-N 1 1 342.359 0.829 20 5 ECBDMO CC[N@@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)CCC(F)(F)F ZINC000427427947 210199309 /nfs/dbraw/zinc/19/93/09/210199309.db2.gz KWQDMHGZSMMWRU-UHFFFAOYSA-N 1 1 338.290 0.577 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000186942024 236072818 /nfs/dbraw/zinc/07/28/18/236072818.db2.gz IMSQUJJBLILGBE-SNVBAGLBSA-N 1 1 339.396 0.554 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000186942024 236072820 /nfs/dbraw/zinc/07/28/20/236072820.db2.gz IMSQUJJBLILGBE-SNVBAGLBSA-N 1 1 339.396 0.554 20 5 ECBDMO NS(=O)(=O)c1cccc(N[C@H]2CCn3cc[nH+]c3C2)c1[N+](=O)[O-] ZINC000489946185 283541707 /nfs/dbraw/zinc/54/17/07/283541707.db2.gz LNBULDPYIZIUBW-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420148346 209321889 /nfs/dbraw/zinc/32/18/89/209321889.db2.gz FLTUJMHTNUCYSX-UHFFFAOYSA-N 1 1 330.291 0.263 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)C[C@@H]1C ZINC000131961875 223287763 /nfs/dbraw/zinc/28/77/63/223287763.db2.gz IYSBUTPRNUXWAF-PHIMTYICSA-N 1 1 337.380 0.634 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(NC)n3)[C@H]2C1 ZINC000456035612 211637338 /nfs/dbraw/zinc/63/73/38/211637338.db2.gz RTGYLEAXECONNQ-UONOGXRCSA-N 1 1 349.391 0.967 20 5 ECBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264896605 247021891 /nfs/dbraw/zinc/02/18/91/247021891.db2.gz WJICSURVJCQLLM-CQSZACIVSA-N 1 1 335.408 0.982 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000266320196 248245869 /nfs/dbraw/zinc/24/58/69/248245869.db2.gz HYTLEESAIPHQPY-ZDUSSCGKSA-N 1 1 336.392 0.868 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000266626307 248388534 /nfs/dbraw/zinc/38/85/34/248388534.db2.gz JEBDGUMWYJRYHV-GFCCVEGCSA-N 1 1 336.348 0.370 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCOC[C@@H](O)C1 ZINC000451231473 211369552 /nfs/dbraw/zinc/36/95/52/211369552.db2.gz CXRVUQQSHGTAAJ-LBPRGKRZSA-N 1 1 337.332 0.586 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000450959992 211354238 /nfs/dbraw/zinc/35/42/38/211354238.db2.gz ZKUOWQXRUPAHMU-LLVKDONJSA-N 1 1 338.364 0.588 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](CCO)C[C@H]2C)c1[N+](=O)[O-] ZINC000450959992 211354242 /nfs/dbraw/zinc/35/42/42/211354242.db2.gz ZKUOWQXRUPAHMU-LLVKDONJSA-N 1 1 338.364 0.588 20 5 ECBDMO CC(=O)N1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268687902 252139106 /nfs/dbraw/zinc/13/91/06/252139106.db2.gz OCUAAUJQMJOBBZ-IUODEOHRSA-N 1 1 337.376 0.887 20 5 ECBDMO CC(=O)N1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000268687902 252139109 /nfs/dbraw/zinc/13/91/09/252139109.db2.gz OCUAAUJQMJOBBZ-IUODEOHRSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028702 210294630 /nfs/dbraw/zinc/29/46/30/210294630.db2.gz CRQXNRJNAVLYOE-LUYZLQTOSA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@@H]1C[C@H]1N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028702 210294633 /nfs/dbraw/zinc/29/46/33/210294633.db2.gz CRQXNRJNAVLYOE-LUYZLQTOSA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@@H]1C[C@H]1N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028702 210294637 /nfs/dbraw/zinc/29/46/37/210294637.db2.gz CRQXNRJNAVLYOE-LUYZLQTOSA-N 1 1 337.424 0.814 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000117284046 221044058 /nfs/dbraw/zinc/04/40/58/221044058.db2.gz SIMIXULFWGWKRS-LBPRGKRZSA-N 1 1 339.396 0.706 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000117284046 221044059 /nfs/dbraw/zinc/04/40/59/221044059.db2.gz SIMIXULFWGWKRS-LBPRGKRZSA-N 1 1 339.396 0.706 20 5 ECBDMO COC(=O)C1([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000159429034 533227988 /nfs/dbraw/zinc/22/79/88/533227988.db2.gz BRWBPWDSMWNTTO-GFCCVEGCSA-N 1 1 326.353 0.570 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000119205146 286348188 /nfs/dbraw/zinc/34/81/88/286348188.db2.gz VZLWMQSNVRGFEW-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000119205146 286348189 /nfs/dbraw/zinc/34/81/89/286348189.db2.gz VZLWMQSNVRGFEW-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000246174975 165124890 /nfs/dbraw/zinc/12/48/90/165124890.db2.gz GBVNTOXCQWGEGA-HZSPNIEDSA-N 1 1 326.353 0.032 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000246174975 165124892 /nfs/dbraw/zinc/12/48/92/165124892.db2.gz GBVNTOXCQWGEGA-HZSPNIEDSA-N 1 1 326.353 0.032 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246282967 165128218 /nfs/dbraw/zinc/12/82/18/165128218.db2.gz XBURSQGCORLHSA-DGCLKSJQSA-N 1 1 325.365 0.648 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247585696 165165327 /nfs/dbraw/zinc/16/53/27/165165327.db2.gz MGOXWVQYJYEIPI-TZMCWYRMSA-N 1 1 337.376 0.793 20 5 ECBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000261951568 165267698 /nfs/dbraw/zinc/26/76/98/165267698.db2.gz LQMQTUPKQPCZSH-CYBMUJFWSA-N 1 1 345.359 0.973 20 5 ECBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+](CCO)CC1 ZINC000270310587 263234267 /nfs/dbraw/zinc/23/42/67/263234267.db2.gz YTDLFFUDCQHBQT-UHFFFAOYSA-N 1 1 332.360 0.755 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285105580 264279042 /nfs/dbraw/zinc/27/90/42/264279042.db2.gz UKTUWUSOQWGHBI-LSDHHAIUSA-N 1 1 334.376 0.938 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000289126846 264552972 /nfs/dbraw/zinc/55/29/72/264552972.db2.gz DRTITKLXLDMLSI-LLVKDONJSA-N 1 1 336.396 0.390 20 5 ECBDMO C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000297423338 265147786 /nfs/dbraw/zinc/14/77/86/265147786.db2.gz SYZCAINMZFYUCV-LBPRGKRZSA-N 1 1 336.396 0.917 20 5 ECBDMO C[C@H](C[C@H](C)[NH3+])NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000422937489 274496387 /nfs/dbraw/zinc/49/63/87/274496387.db2.gz CMZIJZSZBXAJIH-WDEREUQCSA-N 1 1 330.410 0.589 20 5 ECBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000265555509 276300578 /nfs/dbraw/zinc/30/05/78/276300578.db2.gz HVMIPHAQADBAIN-UHFFFAOYSA-N 1 1 338.364 0.671 20 5 ECBDMO Cc1nn(CCC(=O)NCC[N@H+]2CCCOCC2)c(C)c1[N+](=O)[O-] ZINC000189409123 437599349 /nfs/dbraw/zinc/59/93/49/437599349.db2.gz PVXNCXOEEXVNLY-UHFFFAOYSA-N 1 1 339.396 0.637 20 5 ECBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c(N)c([N+](=O)[O-])c1 ZINC000264464722 280348772 /nfs/dbraw/zinc/34/87/72/280348772.db2.gz JUKAXVDKIMCTGK-GFCCVEGCSA-N 1 1 349.391 0.555 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000344991832 298100675 /nfs/dbraw/zinc/10/06/75/298100675.db2.gz YRRYBKJIOLUZEC-UHFFFAOYSA-N 1 1 335.364 0.117 20 5 ECBDMO C[C@H]1C[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000353378387 299043900 /nfs/dbraw/zinc/04/39/00/299043900.db2.gz GXLSUCRZOJGAFM-AAEUAGOBSA-N 1 1 334.376 0.924 20 5 ECBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4COC[C@H]4O)CC3)nc2c1 ZINC000361333419 300083856 /nfs/dbraw/zinc/08/38/56/300083856.db2.gz AEAREVXTEHRDSZ-HUUCEWRRSA-N 1 1 347.375 0.743 20 5 ECBDMO CCOc1cc(N2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)ccc1[N+](=O)[O-] ZINC000361396875 300089469 /nfs/dbraw/zinc/08/94/69/300089469.db2.gz VLZLLRSSYPXKQE-CABCVRRESA-N 1 1 337.376 0.875 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582358 300108077 /nfs/dbraw/zinc/10/80/77/300108077.db2.gz IZOOAVPHIBMIAD-WFASDCNBSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582358 300108079 /nfs/dbraw/zinc/10/80/79/300108079.db2.gz IZOOAVPHIBMIAD-WFASDCNBSA-N 1 1 349.387 0.956 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681916 300285736 /nfs/dbraw/zinc/28/57/36/300285736.db2.gz GTUSOWDVWYPSDU-ZIAGYGMSSA-N 1 1 348.359 0.513 20 5 ECBDMO CC(C)C[N@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026128186 436162067 /nfs/dbraw/zinc/16/20/67/436162067.db2.gz UTXAYJNEVXAZQN-ZDUSSCGKSA-N 1 1 325.365 0.778 20 5 ECBDMO COc1cc(CNCC2(O)CC[NH+](C)CC2)c([N+](=O)[O-])cc1O ZINC000077450087 436239294 /nfs/dbraw/zinc/23/92/94/436239294.db2.gz DDOYYTDFVZCWHN-UHFFFAOYSA-N 1 1 325.365 0.855 20 5 ECBDMO COC(=O)CNC(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000029066165 436197564 /nfs/dbraw/zinc/19/75/64/436197564.db2.gz QYDHXRGKBZIHHU-UHFFFAOYSA-N 1 1 336.348 0.249 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000076924303 436218447 /nfs/dbraw/zinc/21/84/47/436218447.db2.gz UQIHKCAXEUHCGJ-CYBMUJFWSA-N 1 1 333.392 0.980 20 5 ECBDMO C[C@@](O)(CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000080894021 436329660 /nfs/dbraw/zinc/32/96/60/436329660.db2.gz WMJOMWFZMTZQAQ-FUTAKVPZSA-N 1 1 349.387 0.807 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090460991 436430971 /nfs/dbraw/zinc/43/09/71/436430971.db2.gz XNYZQMMZSZDPRC-CHWSQXEVSA-N 1 1 337.380 0.469 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090460991 436430973 /nfs/dbraw/zinc/43/09/73/436430973.db2.gz XNYZQMMZSZDPRC-CHWSQXEVSA-N 1 1 337.380 0.469 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549510 436433044 /nfs/dbraw/zinc/43/30/44/436433044.db2.gz LZYBEASBMNAPKG-UHFFFAOYSA-N 1 1 338.408 0.535 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000052590687 436511162 /nfs/dbraw/zinc/51/11/62/436511162.db2.gz CKLBYUQFMXHZQE-CYBMUJFWSA-N 1 1 348.407 0.916 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532138457 302070650 /nfs/dbraw/zinc/07/06/50/302070650.db2.gz LSWREMURQQTNFM-UHFFFAOYSA-N 1 1 335.364 0.272 20 5 ECBDMO C[N@@H+](CCC(=O)OC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000150880390 436692432 /nfs/dbraw/zinc/69/24/32/436692432.db2.gz JWYUEWWJSSYZHC-LBPRGKRZSA-N 1 1 328.369 0.816 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151057588 436695248 /nfs/dbraw/zinc/69/52/48/436695248.db2.gz XERXMVZOOHASRS-GFCCVEGCSA-N 1 1 340.384 0.201 20 5 ECBDMO CN1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331613 436713809 /nfs/dbraw/zinc/71/38/09/436713809.db2.gz LAEMXKBSPGDDIL-CYBMUJFWSA-N 1 1 348.407 0.250 20 5 ECBDMO CN1CCN(C(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331613 436713814 /nfs/dbraw/zinc/71/38/14/436713814.db2.gz LAEMXKBSPGDDIL-CYBMUJFWSA-N 1 1 348.407 0.250 20 5 ECBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000272451311 436714075 /nfs/dbraw/zinc/71/40/75/436714075.db2.gz NMWNQVQSNCIIMS-GFCCVEGCSA-N 1 1 335.408 0.790 20 5 ECBDMO Cc1n[nH]c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000269359332 436663635 /nfs/dbraw/zinc/66/36/35/436663635.db2.gz KBCDOPHOBIJZAL-LLVKDONJSA-N 1 1 325.369 0.593 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156084216 436810614 /nfs/dbraw/zinc/81/06/14/436810614.db2.gz YAEYQPJKVJFVLA-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000156084216 436810616 /nfs/dbraw/zinc/81/06/16/436810616.db2.gz YAEYQPJKVJFVLA-NSHDSACASA-N 1 1 329.378 0.597 20 5 ECBDMO CC(C)OCC[NH+]1CCC(NC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000128431331 436816139 /nfs/dbraw/zinc/81/61/39/436816139.db2.gz WKLNKABSYPBOOA-UHFFFAOYSA-N 1 1 325.369 0.937 20 5 ECBDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000273906456 436787889 /nfs/dbraw/zinc/78/78/89/436787889.db2.gz ABZPMTNATQOYGF-ZWNOBZJWSA-N 1 1 333.348 0.979 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000156919189 436821954 /nfs/dbraw/zinc/82/19/54/436821954.db2.gz WKVMEDAIRFOUST-STQMWFEESA-N 1 1 340.380 0.958 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000156919189 436821956 /nfs/dbraw/zinc/82/19/56/436821956.db2.gz WKVMEDAIRFOUST-STQMWFEESA-N 1 1 340.380 0.958 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000274060520 436796274 /nfs/dbraw/zinc/79/62/74/436796274.db2.gz ABKVLCRCMTXFQJ-NWDGAFQWSA-N 1 1 339.348 0.360 20 5 ECBDMO C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274076313 436796329 /nfs/dbraw/zinc/79/63/29/436796329.db2.gz RXPNOKJBZSUIDH-YGRLFVJLSA-N 1 1 333.348 0.979 20 5 ECBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248438520 436802757 /nfs/dbraw/zinc/80/27/57/436802757.db2.gz BYCGSGGSJHLJCP-FRRDWIJNSA-N 1 1 337.376 0.920 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000274471037 436830337 /nfs/dbraw/zinc/83/03/37/436830337.db2.gz ZGZQHKCHICBIGQ-ZBFHGGJFSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCO[C@@]3(CCOC3)C2)c1 ZINC000274471037 436830342 /nfs/dbraw/zinc/83/03/42/436830342.db2.gz ZGZQHKCHICBIGQ-ZBFHGGJFSA-N 1 1 338.360 0.826 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261694111 436883121 /nfs/dbraw/zinc/88/31/21/436883121.db2.gz JFFRXFQPHAKILC-CQSZACIVSA-N 1 1 330.348 0.750 20 5 ECBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1C[N@H+](C)CCO1 ZINC000134988286 436908130 /nfs/dbraw/zinc/90/81/30/436908130.db2.gz UBIMOBDTVDFQET-PELKAZGASA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000134988286 436908135 /nfs/dbraw/zinc/90/81/35/436908135.db2.gz UBIMOBDTVDFQET-PELKAZGASA-N 1 1 326.328 0.765 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+]1CCCOCC1 ZINC000275513815 436978365 /nfs/dbraw/zinc/97/83/65/436978365.db2.gz VJLLWVODZGECRS-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@H+]1CCCOCC1 ZINC000275513815 436978366 /nfs/dbraw/zinc/97/83/66/436978366.db2.gz VJLLWVODZGECRS-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000275193133 436938577 /nfs/dbraw/zinc/93/85/77/436938577.db2.gz GCCAAVFTDNNCNM-NXEZZACHSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000275193133 436938579 /nfs/dbraw/zinc/93/85/79/436938579.db2.gz GCCAAVFTDNNCNM-NXEZZACHSA-N 1 1 325.369 0.164 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264702832 437068020 /nfs/dbraw/zinc/06/80/20/437068020.db2.gz DGNPQMZVTSOSHY-ZDUSSCGKSA-N 1 1 336.392 0.726 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2ncn(C[C@H](O)C[NH+]3CCOCC3)n2)c1 ZINC000174797868 437086950 /nfs/dbraw/zinc/08/69/50/437086950.db2.gz IFFFZUXHVCZLLV-CQSZACIVSA-N 1 1 333.348 0.546 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])n1 ZINC000331715477 437149194 /nfs/dbraw/zinc/14/91/94/437149194.db2.gz HREHTOSAGKAFQY-MNOVXSKESA-N 1 1 343.409 0.716 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)C1 ZINC000301300892 437117666 /nfs/dbraw/zinc/11/76/66/437117666.db2.gz RDOJWEAGLCIOBT-GFCCVEGCSA-N 1 1 348.407 0.305 20 5 ECBDMO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186636017 437479770 /nfs/dbraw/zinc/47/97/70/437479770.db2.gz AVPWIGKZICYVRV-AWEZNQCLSA-N 1 1 346.387 0.560 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)C[C@@H](C)O ZINC000289693821 437433647 /nfs/dbraw/zinc/43/36/47/437433647.db2.gz HBEXPWZIIPGQAN-SNVBAGLBSA-N 1 1 327.337 0.217 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C[C@@H](C)O ZINC000289693821 437433650 /nfs/dbraw/zinc/43/36/50/437433650.db2.gz HBEXPWZIIPGQAN-SNVBAGLBSA-N 1 1 327.337 0.217 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000330450182 437515408 /nfs/dbraw/zinc/51/54/08/437515408.db2.gz IPPODPLHMAHRJG-NSHDSACASA-N 1 1 345.425 0.774 20 5 ECBDMO C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000290931883 437544421 /nfs/dbraw/zinc/54/44/21/437544421.db2.gz JXOZZDCQURMAEX-SNVBAGLBSA-N 1 1 337.380 0.370 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000361572581 437672905 /nfs/dbraw/zinc/67/29/05/437672905.db2.gz UHFFJASOOJKTIJ-INIZCTEOSA-N 1 1 332.360 0.681 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000355374966 437702687 /nfs/dbraw/zinc/70/26/87/437702687.db2.gz XDUVSDNHKUODJB-CHWSQXEVSA-N 1 1 335.364 0.507 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000355439389 437705207 /nfs/dbraw/zinc/70/52/07/437705207.db2.gz FZJMIAJDGPSMRO-GFCCVEGCSA-N 1 1 337.380 0.953 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2CC)c([N+](=O)[O-])n1 ZINC000331169291 437706476 /nfs/dbraw/zinc/70/64/76/437706476.db2.gz NTAOJDQIYOBKGE-JTQLQIEISA-N 1 1 331.398 0.574 20 5 ECBDMO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000340682964 437708582 /nfs/dbraw/zinc/70/85/82/437708582.db2.gz RJBKNLTWZLHLJM-SNVBAGLBSA-N 1 1 338.364 0.998 20 5 ECBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000340682964 437708588 /nfs/dbraw/zinc/70/85/88/437708588.db2.gz RJBKNLTWZLHLJM-SNVBAGLBSA-N 1 1 338.364 0.998 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193578513 437712339 /nfs/dbraw/zinc/71/23/39/437712339.db2.gz DWYJSGILJAEOMX-ZDUSSCGKSA-N 1 1 338.412 0.181 20 5 ECBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415607461 437832061 /nfs/dbraw/zinc/83/20/61/437832061.db2.gz KEGGXRJLKGIOER-UHFFFAOYSA-N 1 1 330.291 0.806 20 5 ECBDMO O=C1C[C@]2(CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000364981867 437841707 /nfs/dbraw/zinc/84/17/07/437841707.db2.gz KSWKPKCBWSRJSM-RHSMWYFYSA-N 1 1 344.371 0.912 20 5 ECBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000356877303 437852513 /nfs/dbraw/zinc/85/25/13/437852513.db2.gz PPMBPRZAFLMSLG-UHFFFAOYSA-N 1 1 338.412 0.474 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)CCO1 ZINC000357180961 437927495 /nfs/dbraw/zinc/92/74/95/437927495.db2.gz CLGZJUJVIVFJBJ-NSHDSACASA-N 1 1 349.391 0.778 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416296611 437910810 /nfs/dbraw/zinc/91/08/10/437910810.db2.gz OHEDDPLOWMPDDL-NWDGAFQWSA-N 1 1 339.396 0.403 20 5 ECBDMO COc1c(F)cc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416498917 437945864 /nfs/dbraw/zinc/94/58/64/437945864.db2.gz ZDPPOOMOVSESMT-SECBINFHSA-N 1 1 347.368 0.973 20 5 ECBDMO COC(=O)[C@@H]1CCCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570632 437958445 /nfs/dbraw/zinc/95/84/45/437958445.db2.gz DOPJUTAXOCEBQH-OLZOCXBDSA-N 1 1 326.353 0.570 20 5 ECBDMO COC(=O)[C@@H]1CCCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000371570632 437958449 /nfs/dbraw/zinc/95/84/49/437958449.db2.gz DOPJUTAXOCEBQH-OLZOCXBDSA-N 1 1 326.353 0.570 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000371567591 437959038 /nfs/dbraw/zinc/95/90/38/437959038.db2.gz BYOZIUZCAXVUBX-GXTWGEPZSA-N 1 1 334.376 0.848 20 5 ECBDMO NC(=O)c1ccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372115064 438034961 /nfs/dbraw/zinc/03/49/61/438034961.db2.gz CRWVLDXWASCNPW-AWEZNQCLSA-N 1 1 334.376 0.600 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000371854178 438000754 /nfs/dbraw/zinc/00/07/54/438000754.db2.gz WAMBILFZORHVKI-OLZOCXBDSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000371854178 438000759 /nfs/dbraw/zinc/00/07/59/438000759.db2.gz WAMBILFZORHVKI-OLZOCXBDSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCN3CCOC[C@@H]3C2)c1 ZINC000348759254 438095836 /nfs/dbraw/zinc/09/58/36/438095836.db2.gz AFWIOZALZVYESV-GJZGRUSLSA-N 1 1 337.376 0.351 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000372552789 438097804 /nfs/dbraw/zinc/09/78/04/438097804.db2.gz KXQGGEHPFJSAPF-UHFFFAOYSA-N 1 1 337.380 0.491 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000366683022 438114346 /nfs/dbraw/zinc/11/43/46/438114346.db2.gz RGWHSHOZNPVWGC-UHFFFAOYSA-N 1 1 338.364 0.614 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)NCc1c[nH+]c2n1CCCC2 ZINC000367055609 438160838 /nfs/dbraw/zinc/16/08/38/438160838.db2.gz RGPUOGCNGIUICV-UHFFFAOYSA-N 1 1 333.352 0.824 20 5 ECBDMO O=C1NCCCC[C@H]1[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000374531006 438215711 /nfs/dbraw/zinc/21/57/11/438215711.db2.gz QHIHJILJJPRHQK-CYBMUJFWSA-N 1 1 336.396 0.078 20 5 ECBDMO CC(C)OC[C@H](CO)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433146268 438228480 /nfs/dbraw/zinc/22/84/80/438228480.db2.gz UOWPUBMXNDTIKK-ZDUSSCGKSA-N 1 1 325.365 0.911 20 5 ECBDMO CC(C)OC[C@H](CO)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000433146268 438228486 /nfs/dbraw/zinc/22/84/86/438228486.db2.gz UOWPUBMXNDTIKK-ZDUSSCGKSA-N 1 1 325.365 0.911 20 5 ECBDMO COCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCSC1 ZINC000433195875 438230365 /nfs/dbraw/zinc/23/03/65/438230365.db2.gz ZFWVHGHVEHGYTI-TZMCWYRMSA-N 1 1 344.437 0.996 20 5 ECBDMO CCc1nn(C)c(N2CCC[N@H+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000367946511 438268164 /nfs/dbraw/zinc/26/81/64/438268164.db2.gz YZJKASAHHTZTIT-UHFFFAOYSA-N 1 1 338.412 0.491 20 5 ECBDMO CCc1nn(C)c(N2CCC[N@@H+](CC(=O)N(C)C)CC2)c1[N+](=O)[O-] ZINC000367946511 438268168 /nfs/dbraw/zinc/26/81/68/438268168.db2.gz YZJKASAHHTZTIT-UHFFFAOYSA-N 1 1 338.412 0.491 20 5 ECBDMO COc1ccc(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358726662 438290732 /nfs/dbraw/zinc/29/07/32/438290732.db2.gz VAZNHJDCSGBXBM-HNNXBMFYSA-N 1 1 338.364 0.469 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]12 ZINC000377666988 438321794 /nfs/dbraw/zinc/32/17/94/438321794.db2.gz CREKLPJKWHBMRY-ZLDLUXBVSA-N 1 1 335.360 0.402 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677220 438324962 /nfs/dbraw/zinc/32/49/62/438324962.db2.gz WCDFFYSPMLSDMH-OCCSQVGLSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677220 438324965 /nfs/dbraw/zinc/32/49/65/438324965.db2.gz WCDFFYSPMLSDMH-OCCSQVGLSA-N 1 1 344.371 0.552 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006353 438337233 /nfs/dbraw/zinc/33/72/33/438337233.db2.gz VCRGHOQIBUBDCQ-NEPJUHHUSA-N 1 1 326.353 0.283 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C1 ZINC000378361908 438381407 /nfs/dbraw/zinc/38/14/07/438381407.db2.gz UFAJBSOUAXKTGP-CYBMUJFWSA-N 1 1 345.407 0.854 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000352361647 438412400 /nfs/dbraw/zinc/41/24/00/438412400.db2.gz LAOOVOIMYIBJNT-ZIAGYGMSSA-N 1 1 326.353 0.034 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000369035359 438414681 /nfs/dbraw/zinc/41/46/81/438414681.db2.gz FHWJJVKPPBRACE-ZFWWWQNUSA-N 1 1 337.376 0.935 20 5 ECBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000440828957 438566483 /nfs/dbraw/zinc/56/64/83/438566483.db2.gz CZVZUDGUVFQLSE-SNVBAGLBSA-N 1 1 331.398 0.574 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1(C)C ZINC000442965921 438634501 /nfs/dbraw/zinc/63/45/01/438634501.db2.gz NLORSEUOVOHNMD-UHFFFAOYSA-N 1 1 336.396 0.328 20 5 ECBDMO CNc1nc(C(=O)N2CCC[N@@H+](CCOC)CC2)ccc1[N+](=O)[O-] ZINC000455029387 438736434 /nfs/dbraw/zinc/73/64/34/438736434.db2.gz HJFXLYWIDTZUIT-UHFFFAOYSA-N 1 1 337.380 0.826 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767855 438752649 /nfs/dbraw/zinc/75/26/49/438752649.db2.gz VRSSZNBJBATEOF-WDEREUQCSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767855 438752653 /nfs/dbraw/zinc/75/26/53/438752653.db2.gz VRSSZNBJBATEOF-WDEREUQCSA-N 1 1 337.380 0.559 20 5 ECBDMO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000588002811 438813677 /nfs/dbraw/zinc/81/36/77/438813677.db2.gz PFUWVCFYGUKCLG-TVQRCGJNSA-N 1 1 333.348 1.375 20 5 ECBDMO C[C@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000588002811 438813684 /nfs/dbraw/zinc/81/36/84/438813684.db2.gz PFUWVCFYGUKCLG-TVQRCGJNSA-N 1 1 333.348 1.375 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860719 438843490 /nfs/dbraw/zinc/84/34/90/438843490.db2.gz KYNFPTJCFKOKQD-QWHCGFSZSA-N 1 1 334.376 0.674 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000595735559 438851020 /nfs/dbraw/zinc/85/10/20/438851020.db2.gz AZKSEXXZACVKHY-DGCLKSJQSA-N 1 1 332.360 0.794 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918986 438884533 /nfs/dbraw/zinc/88/45/33/438884533.db2.gz PLZWFYQQQMMYPL-SUZMYJTESA-N 1 1 334.323 0.897 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@](C)(C(F)F)O1 ZINC000595918986 438884537 /nfs/dbraw/zinc/88/45/37/438884537.db2.gz PLZWFYQQQMMYPL-SUZMYJTESA-N 1 1 334.323 0.897 20 5 ECBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000595927064 438886434 /nfs/dbraw/zinc/88/64/34/438886434.db2.gz UZCPAQFBUAQACF-QMMMGPOBSA-N 1 1 341.331 1.523 20 5 ECBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000595927063 438886547 /nfs/dbraw/zinc/88/65/47/438886547.db2.gz UZCPAQFBUAQACF-MRVPVSSYSA-N 1 1 341.331 1.523 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000590447263 438925636 /nfs/dbraw/zinc/92/56/36/438925636.db2.gz WZTCRVGMQRHMHX-WFASDCNBSA-N 1 1 342.359 0.952 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC000590561618 438932656 /nfs/dbraw/zinc/93/26/56/438932656.db2.gz CHDDKNQDSLRFHH-UHFFFAOYSA-N 1 1 333.392 0.496 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596167658 438934330 /nfs/dbraw/zinc/93/43/30/438934330.db2.gz GTSUWLUKJDUALW-LBPRGKRZSA-N 1 1 334.380 0.315 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC(c3nc(N)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000590601030 438940832 /nfs/dbraw/zinc/94/08/32/438940832.db2.gz PBKFNRDCSVZABT-UHFFFAOYSA-N 1 1 345.363 0.774 20 5 ECBDMO COc1cc(C[N@@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000459732226 438996959 /nfs/dbraw/zinc/99/69/59/438996959.db2.gz UBHYFAXPJFSZPY-HNNXBMFYSA-N 1 1 326.349 0.931 20 5 ECBDMO COc1cc(C[N@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000459732226 438996963 /nfs/dbraw/zinc/99/69/63/438996963.db2.gz UBHYFAXPJFSZPY-HNNXBMFYSA-N 1 1 326.349 0.931 20 5 ECBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@](C)(CO)C1 ZINC000602963805 439171387 /nfs/dbraw/zinc/17/13/87/439171387.db2.gz IQMCLXARVBBYSR-WMLDXEAASA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@](C)(CO)C1 ZINC000602963805 439171394 /nfs/dbraw/zinc/17/13/94/439171394.db2.gz IQMCLXARVBBYSR-WMLDXEAASA-N 1 1 349.387 0.956 20 5 ECBDMO Cc1c(NC(=O)CCN2CC[N@H+](C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602903142 439155255 /nfs/dbraw/zinc/15/52/55/439155255.db2.gz BUEMHYBCRJUMKW-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCN(C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602903142 439155260 /nfs/dbraw/zinc/15/52/60/439155260.db2.gz BUEMHYBCRJUMKW-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCN(C)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000602903142 439155265 /nfs/dbraw/zinc/15/52/65/439155265.db2.gz BUEMHYBCRJUMKW-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000581543619 439225281 /nfs/dbraw/zinc/22/52/81/439225281.db2.gz OJPXAHMXFLMPIN-SNVBAGLBSA-N 1 1 329.378 0.435 20 5 ECBDMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000603421754 439260144 /nfs/dbraw/zinc/26/01/44/439260144.db2.gz BRRKYEAYOZQZCR-CQSZACIVSA-N 1 1 335.408 0.620 20 5 ECBDMO CN1CC[C@H]([NH+]2CCC(NC(=O)c3ccc([N+](=O)[O-])o3)CC2)C1=O ZINC000568673745 439268445 /nfs/dbraw/zinc/26/84/45/439268445.db2.gz QEIQPQANZMOHTH-NSHDSACASA-N 1 1 336.348 0.613 20 5 ECBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335684 439321614 /nfs/dbraw/zinc/32/16/14/439321614.db2.gz FNFNSBVOAOPGEY-GXSJLCMTSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335684 439321618 /nfs/dbraw/zinc/32/16/18/439321618.db2.gz FNFNSBVOAOPGEY-GXSJLCMTSA-N 1 1 326.378 0.751 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000582376588 439326949 /nfs/dbraw/zinc/32/69/49/439326949.db2.gz VOEGWNNDLSIFSM-UHFFFAOYSA-N 1 1 340.405 0.859 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C2)C1 ZINC000598628090 439290608 /nfs/dbraw/zinc/29/06/08/439290608.db2.gz ZBHOVQLGAPABJH-MRXNPFEDSA-N 1 1 348.407 0.753 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604266167 439305058 /nfs/dbraw/zinc/30/50/58/439305058.db2.gz VORDCWACRNXQNX-ZDUSSCGKSA-N 1 1 337.424 0.937 20 5 ECBDMO CNc1nccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000569132445 439308563 /nfs/dbraw/zinc/30/85/63/439308563.db2.gz CDSKIDWPODXWGG-GFCCVEGCSA-N 1 1 349.391 0.826 20 5 ECBDMO C[NH+]1CCN(CC2CN(c3nc4sccn4c3[N+](=O)[O-])C2)CC1 ZINC000599109310 439360789 /nfs/dbraw/zinc/36/07/89/439360789.db2.gz SRSKWCZOQNRYOL-UHFFFAOYSA-N 1 1 336.421 0.988 20 5 ECBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546222 439401402 /nfs/dbraw/zinc/40/14/02/439401402.db2.gz SKVUQILKEMRBJK-GFCCVEGCSA-N 1 1 326.378 0.847 20 5 ECBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546222 439401405 /nfs/dbraw/zinc/40/14/05/439401405.db2.gz SKVUQILKEMRBJK-GFCCVEGCSA-N 1 1 326.378 0.847 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000599214187 439383535 /nfs/dbraw/zinc/38/35/35/439383535.db2.gz VKJJFJVDMAVXCN-SECBINFHSA-N 1 1 329.382 0.091 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000583180843 439430596 /nfs/dbraw/zinc/43/05/96/439430596.db2.gz SDNLNQNAYIDRGX-LLVKDONJSA-N 1 1 325.369 0.891 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000583180843 439430599 /nfs/dbraw/zinc/43/05/99/439430599.db2.gz SDNLNQNAYIDRGX-LLVKDONJSA-N 1 1 325.369 0.891 20 5 ECBDMO COc1cc(CN2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])cc1OC ZINC000593680398 439445487 /nfs/dbraw/zinc/44/54/87/439445487.db2.gz ULHMZHKWNCJENR-CYBMUJFWSA-N 1 1 337.376 0.863 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000599436431 439468843 /nfs/dbraw/zinc/46/88/43/439468843.db2.gz FAQKVIXGARWGPS-ZDUSSCGKSA-N 1 1 336.392 0.778 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000599503086 439496129 /nfs/dbraw/zinc/49/61/29/439496129.db2.gz SEPWTWIVTVVLMR-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000599503086 439496133 /nfs/dbraw/zinc/49/61/33/439496133.db2.gz SEPWTWIVTVVLMR-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394307 439554513 /nfs/dbraw/zinc/55/45/13/439554513.db2.gz WUOLZDJXAONOTA-UONOGXRCSA-N 1 1 344.371 0.896 20 5 ECBDMO COc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939531 439580188 /nfs/dbraw/zinc/58/01/88/439580188.db2.gz WKMPWQQLCZLDAN-STQMWFEESA-N 1 1 335.360 0.885 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938601 439581001 /nfs/dbraw/zinc/58/10/01/439581001.db2.gz QMCDZRXWUOIZFN-OLZOCXBDSA-N 1 1 335.360 0.885 20 5 ECBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599938520 439581302 /nfs/dbraw/zinc/58/13/02/439581302.db2.gz CKHOHOSNAYVOLF-UONOGXRCSA-N 1 1 337.351 0.944 20 5 ECBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000594846953 439629937 /nfs/dbraw/zinc/62/99/37/439629937.db2.gz MSTJWBDJQACMPI-UHFFFAOYSA-N 1 1 327.406 0.961 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000600532052 439674962 /nfs/dbraw/zinc/67/49/62/439674962.db2.gz GEDWNILTYAPJTP-LLVKDONJSA-N 1 1 330.344 0.939 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000345390423 321186040 /nfs/dbraw/zinc/18/60/40/321186040.db2.gz PRWOTYFTWBMWFM-VXGBXAGGSA-N 1 1 339.396 0.667 20 5 ECBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000531888449 322047438 /nfs/dbraw/zinc/04/74/38/322047438.db2.gz QDZGQXGLQQAHGT-ZDUSSCGKSA-N 1 1 335.408 0.993 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000531986311 322049731 /nfs/dbraw/zinc/04/97/31/322049731.db2.gz XTYBQPGZFCCDQI-ZDUSSCGKSA-N 1 1 349.391 0.312 20 5 ECBDMO C[N@@H+](CCO)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736802728 578453466 /nfs/dbraw/zinc/45/34/66/578453466.db2.gz WKKJHAIYASIYCA-UHFFFAOYSA-N 1 1 348.367 0.063 20 5 ECBDMO COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737006837 578472830 /nfs/dbraw/zinc/47/28/30/578472830.db2.gz JWEHFKHCIZGUHC-SECBINFHSA-N 1 1 334.340 0.303 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000794969760 578602263 /nfs/dbraw/zinc/60/22/63/578602263.db2.gz BVWWTUMMAQCBRO-UUIJZJDISA-N 1 1 336.344 0.685 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000791393614 578889651 /nfs/dbraw/zinc/88/96/51/578889651.db2.gz WZQKCUMETKUMFQ-JTQLQIEISA-N 1 1 340.355 0.845 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000770796410 579177444 /nfs/dbraw/zinc/17/74/44/579177444.db2.gz LNCQPEHPOUVITJ-UKRRQHHQSA-N 1 1 325.365 0.447 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000746474985 579840389 /nfs/dbraw/zinc/84/03/89/579840389.db2.gz JJHFWXFKRFQNSP-UHFFFAOYSA-N 1 1 336.348 0.930 20 5 ECBDMO C[C@H](NC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900811455 586666624 /nfs/dbraw/zinc/66/66/24/586666624.db2.gz LPPCZTAOHADVHR-TUKIKUTGSA-N 1 1 336.392 0.379 20 5 ECBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800784 586669078 /nfs/dbraw/zinc/66/90/78/586669078.db2.gz DUTLZJCPCBHWOT-AAEUAGOBSA-N 1 1 338.412 0.277 20 5 ECBDMO O=[N+]([O-])CC[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000905185335 586875383 /nfs/dbraw/zinc/87/53/83/586875383.db2.gz ADLJBPVKHXMDNC-UHFFFAOYSA-N 1 1 327.406 0.979 20 5 ECBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839731410 586890490 /nfs/dbraw/zinc/89/04/90/586890490.db2.gz RZMKVDUEIZZEPW-INMHGKMJSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731410 586890492 /nfs/dbraw/zinc/89/04/92/586890492.db2.gz RZMKVDUEIZZEPW-INMHGKMJSA-N 1 1 333.388 0.747 20 5 ECBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839731410 586890495 /nfs/dbraw/zinc/89/04/95/586890495.db2.gz RZMKVDUEIZZEPW-INMHGKMJSA-N 1 1 333.388 0.747 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000805760162 586937903 /nfs/dbraw/zinc/93/79/03/586937903.db2.gz GCDDHVASMSMFSO-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000805759453 586937940 /nfs/dbraw/zinc/93/79/40/586937940.db2.gz RSCHASXXVABVGY-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1C[N@H+](C)CCO1 ZINC000801928722 587006045 /nfs/dbraw/zinc/00/60/45/587006045.db2.gz XWZTYTZGVRVUAS-SDBXPKJASA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@@H]1C[N@@H+](C)CCO1 ZINC000801928722 587006047 /nfs/dbraw/zinc/00/60/47/587006047.db2.gz XWZTYTZGVRVUAS-SDBXPKJASA-N 1 1 326.328 0.765 20 5 ECBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+]1CCO ZINC000801957658 587007078 /nfs/dbraw/zinc/00/70/78/587007078.db2.gz NQJXNOSEVMYZGE-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+]1CCO ZINC000801957658 587007080 /nfs/dbraw/zinc/00/70/80/587007080.db2.gz NQJXNOSEVMYZGE-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C[C@@H]21 ZINC000840131803 587151210 /nfs/dbraw/zinc/15/12/10/587151210.db2.gz DBMSSQPPWBXPKJ-MFKMUULPSA-N 1 1 330.344 0.784 20 5 ECBDMO Cc1cc(C(=O)N2CC(C[NH+]3CCOCC3)C2)c(N)c([N+](=O)[O-])c1 ZINC000816713468 587320909 /nfs/dbraw/zinc/32/09/09/587320909.db2.gz QBLJEBKIVCPUOI-UHFFFAOYSA-N 1 1 334.376 0.890 20 5 ECBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000826574668 588071693 /nfs/dbraw/zinc/07/16/93/588071693.db2.gz WZORLNPQARZHGQ-CQSZACIVSA-N 1 1 346.387 0.742 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000827148195 588102142 /nfs/dbraw/zinc/10/21/42/588102142.db2.gz FJUBCIDADUYPBB-CQSZACIVSA-N 1 1 345.359 0.711 20 5 ECBDMO CNc1nccc(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406510 589245985 /nfs/dbraw/zinc/24/59/85/589245985.db2.gz CQSIKZBCGPCLMZ-QWRGUYRKSA-N 1 1 335.364 0.625 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@H]21 ZINC000867811223 589847360 /nfs/dbraw/zinc/84/73/60/589847360.db2.gz AWUNUWBYCYMTFB-WDEREUQCSA-N 1 1 326.378 0.705 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000122158661 589905368 /nfs/dbraw/zinc/90/53/68/589905368.db2.gz RXTGPSXYZKFCNH-TXEJJXNPSA-N 1 1 325.369 0.359 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879939835 590353029 /nfs/dbraw/zinc/35/30/29/590353029.db2.gz IDAHXSLSISNBBS-NWDGAFQWSA-N 1 1 328.394 0.466 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879939835 590353032 /nfs/dbraw/zinc/35/30/32/590353032.db2.gz IDAHXSLSISNBBS-NWDGAFQWSA-N 1 1 328.394 0.466 20 5 ECBDMO Cc1ccc(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000876169198 590364023 /nfs/dbraw/zinc/36/40/23/590364023.db2.gz PCUQFKJJDNJYDE-CQSZACIVSA-N 1 1 334.376 0.864 20 5 ECBDMO Cc1ccc(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000876169198 590364025 /nfs/dbraw/zinc/36/40/25/590364025.db2.gz PCUQFKJJDNJYDE-CQSZACIVSA-N 1 1 334.376 0.864 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C(C)(C)C ZINC000880612108 590411601 /nfs/dbraw/zinc/41/16/01/590411601.db2.gz CTIPHRBDZJWLTB-CYBMUJFWSA-N 1 1 336.392 0.945 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000879002078 590557217 /nfs/dbraw/zinc/55/72/17/590557217.db2.gz BDQFVCYOCAGXAQ-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](CO)C1 ZINC000879002078 590557219 /nfs/dbraw/zinc/55/72/19/590557219.db2.gz BDQFVCYOCAGXAQ-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO Cn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589036 611356829 /nfs/dbraw/zinc/35/68/29/611356829.db2.gz BRRMPYGLJPQMPM-LXTVHRRPSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589036 611356830 /nfs/dbraw/zinc/35/68/30/611356830.db2.gz BRRMPYGLJPQMPM-LXTVHRRPSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1ccnc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589036 611356831 /nfs/dbraw/zinc/35/68/31/611356831.db2.gz BRRMPYGLJPQMPM-LXTVHRRPSA-N 1 1 347.419 0.756 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2C)c1F ZINC000924976949 608679610 /nfs/dbraw/zinc/67/96/10/608679610.db2.gz AIHDBNDBXBJWRH-RKDXNWHRSA-N 1 1 329.303 0.976 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000913551453 609692637 /nfs/dbraw/zinc/69/26/37/609692637.db2.gz QOVJVWUILBGUHP-CQSZACIVSA-N 1 1 332.360 0.684 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@@H]1CO ZINC000913551453 609692640 /nfs/dbraw/zinc/69/26/40/609692640.db2.gz QOVJVWUILBGUHP-CQSZACIVSA-N 1 1 332.360 0.684 20 5 ECBDMO COC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001167259459 733104175 /nfs/dbraw/zinc/10/41/75/733104175.db2.gz VOWHAQRKTOIFQC-CYBMUJFWSA-N 1 1 328.369 0.673 20 5 ECBDMO C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000973257914 738992902 /nfs/dbraw/zinc/99/29/02/738992902.db2.gz NLHPCPLUZDDXJC-AAVRWANBSA-N 1 1 338.408 0.147 20 5 ECBDMO CCOc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001025776067 739944996 /nfs/dbraw/zinc/94/49/96/739944996.db2.gz VOEAMKQBHBFPQL-SSZWKKLZSA-N 1 1 346.387 0.692 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2ccon2)CC1 ZINC001001208703 746161811 /nfs/dbraw/zinc/16/18/11/746161811.db2.gz OPTVYBRSJAPJBD-UHFFFAOYSA-N 1 1 348.363 0.958 20 5 ECBDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001029964446 750113899 /nfs/dbraw/zinc/11/38/99/750113899.db2.gz IZCZBVWBNXDWSY-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO Cn1cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001029964446 750113903 /nfs/dbraw/zinc/11/39/03/750113903.db2.gz IZCZBVWBNXDWSY-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO Cn1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001029964446 750113907 /nfs/dbraw/zinc/11/39/07/750113907.db2.gz IZCZBVWBNXDWSY-HUUCEWRRSA-N 1 1 335.408 0.756 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107200559 757591371 /nfs/dbraw/zinc/59/13/71/757591371.db2.gz OQZZZBNMLPGFPD-NSCUHMNNSA-N 1 1 346.351 0.256 20 5 ECBDMO Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325376 760129504 /nfs/dbraw/zinc/12/95/04/760129504.db2.gz ARMQQSUQPWHJQG-AAVRWANBSA-N 1 1 335.408 0.850 20 5 ECBDMO O=C(C[NH+]1CCCC1)N1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001017444407 767995508 /nfs/dbraw/zinc/99/55/08/767995508.db2.gz BIPSBKBTJBOWSR-ZIAGYGMSSA-N 1 1 336.392 0.022 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC001060415761 765048274 /nfs/dbraw/zinc/04/82/74/765048274.db2.gz GCACVOCWJOPQEV-JYAVWHMHSA-N 1 1 342.359 0.746 20 5 ECBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cn[nH]c(=O)c1 ZINC001031750757 767149585 /nfs/dbraw/zinc/14/95/85/767149585.db2.gz GVKDERWFSPSPKJ-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1ccc(=O)[nH]n1 ZINC001031530834 771233478 /nfs/dbraw/zinc/23/34/78/771233478.db2.gz DNVQBRSAMBOWOC-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO CN(CCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388434 793074317 /nfs/dbraw/zinc/07/43/17/793074317.db2.gz DXOFKNZXMDBYSQ-CHWSQXEVSA-N 1 1 338.408 0.054 20 5 ECBDMO CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001266899080 836451530 /nfs/dbraw/zinc/45/15/30/836451530.db2.gz TUTCXMVXKYXSIP-QLPKVWCKSA-N 1 1 346.387 0.620 20 5 ECBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000127165970 222802758 /nfs/dbraw/zinc/80/27/58/222802758.db2.gz ZXRDFXYDULNYAY-CYBMUJFWSA-N 1 1 336.392 0.993 20 5 ECBDMO CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051325 299190199 /nfs/dbraw/zinc/19/01/99/299190199.db2.gz NCMOSGCZAOUWKP-XHDPSFHLSA-N 1 1 338.364 0.790 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000186964426 236080738 /nfs/dbraw/zinc/08/07/38/236080738.db2.gz CIZVHPWLDLLSIR-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131357490 223225641 /nfs/dbraw/zinc/22/56/41/223225641.db2.gz RVZNNIJBEIQPRT-CYBMUJFWSA-N 1 1 339.396 0.535 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H](C)O1 ZINC000356150607 299356378 /nfs/dbraw/zinc/35/63/78/299356378.db2.gz OBTIAMLTJQYXQP-GHMZBOCLSA-N 1 1 339.396 0.946 20 5 ECBDMO CCOCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000110916961 220080141 /nfs/dbraw/zinc/08/01/41/220080141.db2.gz VFQXDCAFNVZYEJ-UHFFFAOYSA-N 1 1 325.369 0.280 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000264728171 246839199 /nfs/dbraw/zinc/83/91/99/246839199.db2.gz YXNCCRUDVCNOFP-SNVBAGLBSA-N 1 1 346.343 0.259 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000265201597 247293191 /nfs/dbraw/zinc/29/31/91/247293191.db2.gz KAIZTLFWRVOBSL-GFCCVEGCSA-N 1 1 343.405 0.974 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000266500213 248332554 /nfs/dbraw/zinc/33/25/54/248332554.db2.gz RXMZCDFKGTWPRG-MWLCHTKSSA-N 1 1 325.369 0.544 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000266500213 248332556 /nfs/dbraw/zinc/33/25/56/248332556.db2.gz RXMZCDFKGTWPRG-MWLCHTKSSA-N 1 1 325.369 0.544 20 5 ECBDMO CCOC(=O)C[N@@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266550797 248356799 /nfs/dbraw/zinc/35/67/99/248356799.db2.gz UGGBNCOFUVNKKS-CYBMUJFWSA-N 1 1 328.369 0.673 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186963835 533675304 /nfs/dbraw/zinc/67/53/04/533675304.db2.gz GTEIUNLILPVJGB-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000186963835 533675309 /nfs/dbraw/zinc/67/53/09/533675309.db2.gz GTEIUNLILPVJGB-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248446849 165174679 /nfs/dbraw/zinc/17/46/79/165174679.db2.gz HBRAQHCPSXDJSP-STQMWFEESA-N 1 1 337.376 0.922 20 5 ECBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000184313473 263158404 /nfs/dbraw/zinc/15/84/04/263158404.db2.gz OMXQVJCCVZMZLS-CYBMUJFWSA-N 1 1 338.412 0.324 20 5 ECBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269619101 263192767 /nfs/dbraw/zinc/19/27/67/263192767.db2.gz MKQURWITCMCNMI-STQMWFEESA-N 1 1 336.392 0.993 20 5 ECBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000269723475 263199712 /nfs/dbraw/zinc/19/97/12/263199712.db2.gz VTGGWMUDDRPEND-UHFFFAOYSA-N 1 1 333.348 0.810 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000272268421 263342658 /nfs/dbraw/zinc/34/26/58/263342658.db2.gz CALNNMPATTVXBU-UHFFFAOYSA-N 1 1 325.321 0.632 20 5 ECBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)C(N)=O ZINC000283143488 264087860 /nfs/dbraw/zinc/08/78/60/264087860.db2.gz BUSNBIAOTIQWIV-LLVKDONJSA-N 1 1 338.364 0.746 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1 ZINC000294857067 265028527 /nfs/dbraw/zinc/02/85/27/265028527.db2.gz CUOFRELGENWDNN-GFCCVEGCSA-N 1 1 337.376 0.813 20 5 ECBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)[NH+](C)C ZINC000299190261 265347469 /nfs/dbraw/zinc/34/74/69/265347469.db2.gz MRBZQUWVMJDDMZ-SECBINFHSA-N 1 1 329.378 0.678 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299226349 265354135 /nfs/dbraw/zinc/35/41/35/265354135.db2.gz NVUPMZILWDMWSN-LLVKDONJSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000299226349 265354139 /nfs/dbraw/zinc/35/41/39/265354139.db2.gz NVUPMZILWDMWSN-LLVKDONJSA-N 1 1 329.378 0.976 20 5 ECBDMO CC[NH+]1CCN(c2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])CC1 ZINC000008055356 273666530 /nfs/dbraw/zinc/66/65/30/273666530.db2.gz KHBNLFAWCUKWOE-UHFFFAOYSA-N 1 1 328.394 0.645 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000189561016 274269441 /nfs/dbraw/zinc/26/94/41/274269441.db2.gz HBQWRIDLQGYGNM-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO COC(=O)[C@@H](C)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000190085998 277338553 /nfs/dbraw/zinc/33/85/53/277338553.db2.gz QOEIZRSAJIAUSX-ZWNOBZJWSA-N 1 1 326.353 0.568 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])n1 ZINC000332708298 297066865 /nfs/dbraw/zinc/06/68/65/297066865.db2.gz YGKZCGKSMBMKNP-NSHDSACASA-N 1 1 345.425 0.774 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000337725399 297210494 /nfs/dbraw/zinc/21/04/94/297210494.db2.gz MAMUADVIHFDIJM-UHFFFAOYSA-N 1 1 338.412 0.242 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580985 300108277 /nfs/dbraw/zinc/10/82/77/300108277.db2.gz DWUJKFQGCWLAER-SWLSCSKDSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361580985 300108279 /nfs/dbraw/zinc/10/82/79/300108279.db2.gz DWUJKFQGCWLAER-SWLSCSKDSA-N 1 1 349.387 0.956 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000363197492 300253529 /nfs/dbraw/zinc/25/35/29/300253529.db2.gz OLFWSLVQLQSSHX-NXEZZACHSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000363197492 300253531 /nfs/dbraw/zinc/25/35/31/300253531.db2.gz OLFWSLVQLQSSHX-NXEZZACHSA-N 1 1 347.418 0.798 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000364392753 300351908 /nfs/dbraw/zinc/35/19/08/300351908.db2.gz XMLPCKYXDZPVSM-LBPRGKRZSA-N 1 1 334.332 0.552 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000364392753 300351912 /nfs/dbraw/zinc/35/19/12/300351912.db2.gz XMLPCKYXDZPVSM-LBPRGKRZSA-N 1 1 334.332 0.552 20 5 ECBDMO O=C(C[N@@H+](CCO)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071956039 436033181 /nfs/dbraw/zinc/03/31/81/436033181.db2.gz YCCWGJFIILGKQL-UHFFFAOYSA-N 1 1 348.403 0.700 20 5 ECBDMO O=C(C[N@H+](CCO)C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000071956039 436033185 /nfs/dbraw/zinc/03/31/85/436033185.db2.gz YCCWGJFIILGKQL-UHFFFAOYSA-N 1 1 348.403 0.700 20 5 ECBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)CN3CCOCC3)C2)c1 ZINC000373584356 301069020 /nfs/dbraw/zinc/06/90/20/301069020.db2.gz LAGNBIVJCVEZEU-DZGCQCFKSA-N 1 1 339.396 0.121 20 5 ECBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731537 301203589 /nfs/dbraw/zinc/20/35/89/301203589.db2.gz OCBMBVMVRGSIOC-GUTXKFCHSA-N 1 1 342.396 0.841 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000028016217 436186778 /nfs/dbraw/zinc/18/67/78/436186778.db2.gz VOIUBHXYJPUSQS-GFCCVEGCSA-N 1 1 338.364 0.370 20 5 ECBDMO Cc1cccn2cc(Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)[nH+]c12 ZINC000031295430 436228784 /nfs/dbraw/zinc/22/87/84/436228784.db2.gz YSIRZBDTBSXRCG-UHFFFAOYSA-N 1 1 327.300 0.860 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000078644513 436272858 /nfs/dbraw/zinc/27/28/58/436272858.db2.gz GICOCWLDDNXPFR-OAHLLOKOSA-N 1 1 346.387 0.973 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000194727394 436670665 /nfs/dbraw/zinc/67/06/65/436670665.db2.gz UJHVNNDIBMPRNS-TXEJJXNPSA-N 1 1 325.369 0.359 20 5 ECBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000194727394 436670670 /nfs/dbraw/zinc/67/06/70/436670670.db2.gz UJHVNNDIBMPRNS-TXEJJXNPSA-N 1 1 325.369 0.359 20 5 ECBDMO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000249545181 436822609 /nfs/dbraw/zinc/82/26/09/436822609.db2.gz GBEMVHVKQROODH-UKRRQHHQSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000249545181 436822614 /nfs/dbraw/zinc/82/26/14/436822614.db2.gz GBEMVHVKQROODH-UKRRQHHQSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000249545181 436822618 /nfs/dbraw/zinc/82/26/18/436822618.db2.gz GBEMVHVKQROODH-UKRRQHHQSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCO1 ZINC000126686971 436790493 /nfs/dbraw/zinc/79/04/93/436790493.db2.gz WCPYJTOAWCCSNZ-ZYHUDNBSSA-N 1 1 325.369 0.362 20 5 ECBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCO1 ZINC000126686971 436790497 /nfs/dbraw/zinc/79/04/97/436790497.db2.gz WCPYJTOAWCCSNZ-ZYHUDNBSSA-N 1 1 325.369 0.362 20 5 ECBDMO C[N@@H+]1CC=C(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000274021862 436793505 /nfs/dbraw/zinc/79/35/05/436793505.db2.gz WCIKVGDBPOLIGP-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO C[NH+]1CCN([C@H]2CCCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000127077975 436795491 /nfs/dbraw/zinc/79/54/91/436795491.db2.gz GGTWOXABEPCRJW-LBPRGKRZSA-N 1 1 335.412 0.573 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000161338327 436888009 /nfs/dbraw/zinc/88/80/09/436888009.db2.gz YRCFSOKXXBZRBA-UHFFFAOYSA-N 1 1 348.403 0.772 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299249857 437062349 /nfs/dbraw/zinc/06/23/49/437062349.db2.gz YCHWLZSMKKQXNU-NSHDSACASA-N 1 1 329.378 0.976 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299249857 437062353 /nfs/dbraw/zinc/06/23/53/437062353.db2.gz YCHWLZSMKKQXNU-NSHDSACASA-N 1 1 329.378 0.976 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(CC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000284744143 437068058 /nfs/dbraw/zinc/06/80/58/437068058.db2.gz DVSCZOMAILZLPE-LSDHHAIUSA-N 1 1 334.376 0.938 20 5 ECBDMO NC(=O)N1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000264707632 437069093 /nfs/dbraw/zinc/06/90/93/437069093.db2.gz AUVVQDUFAWZBBW-ZDUSSCGKSA-N 1 1 338.364 0.421 20 5 ECBDMO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1CCO ZINC000302460415 437143823 /nfs/dbraw/zinc/14/38/23/437143823.db2.gz UIUCCZMBDVHAAY-NSHDSACASA-N 1 1 334.376 0.982 20 5 ECBDMO C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1CCO ZINC000302460415 437143828 /nfs/dbraw/zinc/14/38/28/437143828.db2.gz UIUCCZMBDVHAAY-NSHDSACASA-N 1 1 334.376 0.982 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1C ZINC000319293667 437201843 /nfs/dbraw/zinc/20/18/43/437201843.db2.gz KDSGEAUHOLWNDQ-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000319351852 437201918 /nfs/dbraw/zinc/20/19/18/437201918.db2.gz UAOBRHTXUKHUDP-VIFPVBQESA-N 1 1 349.796 0.823 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267125599 437293757 /nfs/dbraw/zinc/29/37/57/437293757.db2.gz VJUGSFWFEDGCTN-JTQLQIEISA-N 1 1 338.364 0.856 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000267125599 437293763 /nfs/dbraw/zinc/29/37/63/437293763.db2.gz VJUGSFWFEDGCTN-JTQLQIEISA-N 1 1 338.364 0.856 20 5 ECBDMO O=C1C[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CN1 ZINC000278751768 437341486 /nfs/dbraw/zinc/34/14/86/437341486.db2.gz AYFIZSWOMBSYHP-MLGOLLRUSA-N 1 1 335.360 0.547 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000267959612 437347360 /nfs/dbraw/zinc/34/73/60/437347360.db2.gz CCCLEALHMHQJJI-HNNXBMFYSA-N 1 1 348.403 0.983 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000278880514 437351546 /nfs/dbraw/zinc/35/15/46/437351546.db2.gz PDOYFZAGCHDQMQ-GFCCVEGCSA-N 1 1 337.380 0.503 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000338966007 437428689 /nfs/dbraw/zinc/42/86/89/437428689.db2.gz JZVGSGALEHWLQI-CQSZACIVSA-N 1 1 348.403 0.841 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186677492 437480317 /nfs/dbraw/zinc/48/03/17/437480317.db2.gz YXMBMWWARNPMRZ-GFCCVEGCSA-N 1 1 347.375 0.335 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000187676821 437513151 /nfs/dbraw/zinc/51/31/51/437513151.db2.gz ZVDKOXVXQYQWNH-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000187676821 437513155 /nfs/dbraw/zinc/51/31/55/437513155.db2.gz ZVDKOXVXQYQWNH-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@H+]([C@H](C)CO)CC2)n1 ZINC000343205460 437535509 /nfs/dbraw/zinc/53/55/09/437535509.db2.gz MESKGBGANWZSIX-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000360318859 437581190 /nfs/dbraw/zinc/58/11/90/437581190.db2.gz NZUVJIMAVVMQIQ-CYBMUJFWSA-N 1 1 346.387 0.986 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000361572582 437673477 /nfs/dbraw/zinc/67/34/77/437673477.db2.gz UHFFJASOOJKTIJ-MRXNPFEDSA-N 1 1 332.360 0.681 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000192486881 437678549 /nfs/dbraw/zinc/67/85/49/437678549.db2.gz DSYSKBKIDHGPNL-OKILXGFUSA-N 1 1 346.387 0.653 20 5 ECBDMO C[C@@H]1CN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@H](C)[N@@H+]1C ZINC000292747002 437718184 /nfs/dbraw/zinc/71/81/84/437718184.db2.gz JGHGOMIFPGBNFC-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331300622 437737598 /nfs/dbraw/zinc/73/75/98/437737598.db2.gz UTVFAUXNDRXIMI-VIFPVBQESA-N 1 1 325.369 0.544 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000331300622 437737602 /nfs/dbraw/zinc/73/76/02/437737602.db2.gz UTVFAUXNDRXIMI-VIFPVBQESA-N 1 1 325.369 0.544 20 5 ECBDMO NC(=O)C1([NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CCCC1 ZINC000363428789 437790348 /nfs/dbraw/zinc/79/03/48/437790348.db2.gz CNOOCWLAKYZMKG-UHFFFAOYSA-N 1 1 336.396 0.207 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3[C@@H](CO)CC[C@H]3CO)n2)cc1 ZINC000347350674 437876858 /nfs/dbraw/zinc/87/68/58/437876858.db2.gz WYTSATCNKMJYKO-BETUJISGSA-N 1 1 334.332 0.962 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3[C@@H](CO)CC[C@H]3CO)n2)cc1 ZINC000347350674 437876864 /nfs/dbraw/zinc/87/68/64/437876864.db2.gz WYTSATCNKMJYKO-BETUJISGSA-N 1 1 334.332 0.962 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341851351 437910781 /nfs/dbraw/zinc/91/07/81/437910781.db2.gz KOEMKNHXXBRPRO-GFCCVEGCSA-N 1 1 349.391 0.615 20 5 ECBDMO C[C@@](O)(CNc1ncnc2cccc([N+](=O)[O-])c21)C[NH+]1CCOCC1 ZINC000357339244 437969410 /nfs/dbraw/zinc/96/94/10/437969410.db2.gz RVFJTDLBFIAWRY-MRXNPFEDSA-N 1 1 347.375 1.033 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365914505 437987376 /nfs/dbraw/zinc/98/73/76/437987376.db2.gz BNVMXZLBNHLRST-CYBMUJFWSA-N 1 1 337.380 0.676 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365914505 437987380 /nfs/dbraw/zinc/98/73/80/437987380.db2.gz BNVMXZLBNHLRST-CYBMUJFWSA-N 1 1 337.380 0.676 20 5 ECBDMO O=C(CC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000342521818 438023849 /nfs/dbraw/zinc/02/38/49/438023849.db2.gz SDYYYVSRGYTLLJ-LBPRGKRZSA-N 1 1 347.331 0.159 20 5 ECBDMO O=C(CC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000342521818 438023855 /nfs/dbraw/zinc/02/38/55/438023855.db2.gz SDYYYVSRGYTLLJ-LBPRGKRZSA-N 1 1 347.331 0.159 20 5 ECBDMO O=C1NC(=O)[C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000366307455 438050722 /nfs/dbraw/zinc/05/07/22/438050722.db2.gz HJZRPEHUWKVMCO-KBPBESRZSA-N 1 1 333.344 0.958 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000372497436 438090311 /nfs/dbraw/zinc/09/03/11/438090311.db2.gz UANIGSCILWHPJX-UHFFFAOYSA-N 1 1 325.369 0.097 20 5 ECBDMO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCc2ccccc2C1 ZINC000342807432 438065311 /nfs/dbraw/zinc/06/53/11/438065311.db2.gz ZNQXJYNYYLFXLJ-LBPRGKRZSA-N 1 1 344.375 0.749 20 5 ECBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)CC1 ZINC000373098409 438130234 /nfs/dbraw/zinc/13/02/34/438130234.db2.gz JFHASZZSLWVSTO-LBPRGKRZSA-N 1 1 349.391 0.594 20 5 ECBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000420970012 438454094 /nfs/dbraw/zinc/45/40/94/438454094.db2.gz DPXDYJJBBDRNNE-GFCCVEGCSA-N 1 1 329.378 0.594 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000420970012 438454097 /nfs/dbraw/zinc/45/40/97/438454097.db2.gz DPXDYJJBBDRNNE-GFCCVEGCSA-N 1 1 329.378 0.594 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000369358238 438460982 /nfs/dbraw/zinc/46/09/82/438460982.db2.gz KOUCUZYNBZKDBD-ZDUSSCGKSA-N 1 1 336.396 0.030 20 5 ECBDMO CC[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000439159512 438502119 /nfs/dbraw/zinc/50/21/19/438502119.db2.gz JJRRNYYLFWALTD-VXGBXAGGSA-N 1 1 336.392 0.975 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@]1(CO)CCOC1 ZINC000359843006 438507763 /nfs/dbraw/zinc/50/77/63/438507763.db2.gz QUHGKEVWKAZEDB-HIFRSBDPSA-N 1 1 326.349 0.418 20 5 ECBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825209 438521121 /nfs/dbraw/zinc/52/11/21/438521121.db2.gz GZQLCMGGWXBAAX-ASEORRQLSA-N 1 1 337.380 0.271 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000452789839 438672900 /nfs/dbraw/zinc/67/29/00/438672900.db2.gz BPPUGQHGSWMSGN-CYBMUJFWSA-N 1 1 336.392 0.970 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000457120657 438795943 /nfs/dbraw/zinc/79/59/43/438795943.db2.gz LIFUMDWXEWCTDK-LLVKDONJSA-N 1 1 339.396 0.323 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@H+](CCO)C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000457120657 438795946 /nfs/dbraw/zinc/79/59/46/438795946.db2.gz LIFUMDWXEWCTDK-LLVKDONJSA-N 1 1 339.396 0.323 20 5 ECBDMO CNc1nccc(C(=O)NCCC[N@@H+](C)CCOC)c1[N+](=O)[O-] ZINC000590423817 438921682 /nfs/dbraw/zinc/92/16/82/438921682.db2.gz OXFWCUIJKSFTEY-UHFFFAOYSA-N 1 1 325.369 0.730 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000590565678 438933916 /nfs/dbraw/zinc/93/39/16/438933916.db2.gz PJNJJYAVWKFSKP-RYUDHWBXSA-N 1 1 337.380 0.572 20 5 ECBDMO COCC(COC)[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596269427 438949012 /nfs/dbraw/zinc/94/90/12/438949012.db2.gz BBGOTWLBDZVBKD-UHFFFAOYSA-N 1 1 326.353 0.479 20 5 ECBDMO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000459293573 438953530 /nfs/dbraw/zinc/95/35/30/438953530.db2.gz FVDSBXCITQLKJN-LBPRGKRZSA-N 1 1 347.375 0.657 20 5 ECBDMO C[C@H]1NC(=O)N(CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380571 438964181 /nfs/dbraw/zinc/96/41/81/438964181.db2.gz QKLWICGCVRZIRV-GHMZBOCLSA-N 1 1 348.363 0.416 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000566761045 439087191 /nfs/dbraw/zinc/08/71/91/439087191.db2.gz CEDWGOMBHBZVOI-IUODEOHRSA-N 1 1 337.376 0.907 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc3cn[nH]c3c2)c1 ZINC000591765815 439083006 /nfs/dbraw/zinc/08/30/06/439083006.db2.gz JSCBITOQTRMNPQ-AWEZNQCLSA-N 1 1 330.348 0.861 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621833 439119165 /nfs/dbraw/zinc/11/91/65/439119165.db2.gz SRBLQARGWLSTRY-NEPJUHHUSA-N 1 1 326.353 0.871 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602621833 439119169 /nfs/dbraw/zinc/11/91/69/439119169.db2.gz SRBLQARGWLSTRY-NEPJUHHUSA-N 1 1 326.353 0.871 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597624801 439140824 /nfs/dbraw/zinc/14/08/24/439140824.db2.gz LIBRUQCCZWFWLG-CYBMUJFWSA-N 1 1 334.376 0.723 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1CO ZINC000602906160 439156382 /nfs/dbraw/zinc/15/63/82/439156382.db2.gz QIOKHOWIWKPJLN-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1CO ZINC000602906160 439156386 /nfs/dbraw/zinc/15/63/86/439156386.db2.gz QIOKHOWIWKPJLN-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602906160 439156392 /nfs/dbraw/zinc/15/63/92/439156392.db2.gz QIOKHOWIWKPJLN-CQSZACIVSA-N 1 1 336.392 0.840 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905869 439156451 /nfs/dbraw/zinc/15/64/51/439156451.db2.gz URSICAMJNHRMSD-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905869 439156456 /nfs/dbraw/zinc/15/64/56/439156456.db2.gz URSICAMJNHRMSD-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000597680544 439158563 /nfs/dbraw/zinc/15/85/63/439158563.db2.gz WGIRKOMWYUFRQX-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694805 439162635 /nfs/dbraw/zinc/16/26/35/439162635.db2.gz NXOBYQGAMUGCFA-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000597694805 439162641 /nfs/dbraw/zinc/16/26/41/439162641.db2.gz NXOBYQGAMUGCFA-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694805 439162645 /nfs/dbraw/zinc/16/26/45/439162645.db2.gz NXOBYQGAMUGCFA-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000592368924 439212260 /nfs/dbraw/zinc/21/22/60/439212260.db2.gz QYHANJDHBHYDIG-UWVGGRQHSA-N 1 1 329.378 0.974 20 5 ECBDMO CC(C)[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598586614 439281865 /nfs/dbraw/zinc/28/18/65/439281865.db2.gz JCSGMABFAJOKNN-UHFFFAOYSA-N 1 1 336.396 0.752 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCO[C@@H]1C ZINC000489446079 439229542 /nfs/dbraw/zinc/22/95/42/439229542.db2.gz GBMCYFQONVHCAS-TZMCWYRMSA-N 1 1 325.365 0.882 20 5 ECBDMO Nc1nccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451212 439263982 /nfs/dbraw/zinc/26/39/82/439263982.db2.gz QZLSHIIJPUNJHK-LLVKDONJSA-N 1 1 335.364 0.243 20 5 ECBDMO CNc1nccc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598450289 439264904 /nfs/dbraw/zinc/26/49/04/439264904.db2.gz COBZVOWJQKBRMU-GFCCVEGCSA-N 1 1 349.391 0.703 20 5 ECBDMO Cc1cc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000604450385 439315187 /nfs/dbraw/zinc/31/51/87/439315187.db2.gz GGYJVQQSZKLPPA-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598904363 439325514 /nfs/dbraw/zinc/32/55/14/439325514.db2.gz DINHDGLVBDAFSW-UHFFFAOYSA-N 1 1 335.364 0.925 20 5 ECBDMO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000598628400 439291220 /nfs/dbraw/zinc/29/12/20/439291220.db2.gz SMTYSMVVJDYMOI-TXEJJXNPSA-N 1 1 336.396 0.750 20 5 ECBDMO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000598628400 439291224 /nfs/dbraw/zinc/29/12/24/439291224.db2.gz SMTYSMVVJDYMOI-TXEJJXNPSA-N 1 1 336.396 0.750 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000599260774 439403565 /nfs/dbraw/zinc/40/35/65/439403565.db2.gz FFLUZIRKAOFPTJ-WDEREUQCSA-N 1 1 343.409 0.433 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000599260773 439405010 /nfs/dbraw/zinc/40/50/10/439405010.db2.gz FFLUZIRKAOFPTJ-QWRGUYRKSA-N 1 1 343.409 0.433 20 5 ECBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000593572540 439410319 /nfs/dbraw/zinc/41/03/19/439410319.db2.gz OQSWYNWGPZDSEK-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000593572540 439410321 /nfs/dbraw/zinc/41/03/21/439410321.db2.gz OQSWYNWGPZDSEK-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000599436430 439467407 /nfs/dbraw/zinc/46/74/07/439467407.db2.gz FAQKVIXGARWGPS-CYBMUJFWSA-N 1 1 336.392 0.778 20 5 ECBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593854592 439478500 /nfs/dbraw/zinc/47/85/00/439478500.db2.gz BAWOUTLDZINTKY-GFCCVEGCSA-N 1 1 335.360 0.885 20 5 ECBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593854592 439478507 /nfs/dbraw/zinc/47/85/07/439478507.db2.gz BAWOUTLDZINTKY-GFCCVEGCSA-N 1 1 335.360 0.885 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594028015 439508491 /nfs/dbraw/zinc/50/84/91/439508491.db2.gz YXDDBIALWPVGOQ-TUKIKUTGSA-N 1 1 334.376 0.673 20 5 ECBDMO CC[N@@H+](C)C[C@H](O)CN[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648762 439527473 /nfs/dbraw/zinc/52/74/73/439527473.db2.gz FFEQKDPVARXBOF-GDBMZVCRSA-N 1 1 339.392 0.885 20 5 ECBDMO Nc1nccc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000594255643 439531293 /nfs/dbraw/zinc/53/12/93/439531293.db2.gz JACKQCWTQMTVPU-GFCCVEGCSA-N 1 1 349.391 0.899 20 5 ECBDMO NC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599666621 439533021 /nfs/dbraw/zinc/53/30/21/439533021.db2.gz YVFIHMXWQDHWIJ-ZDUSSCGKSA-N 1 1 336.348 0.500 20 5 ECBDMO NC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599666621 439533025 /nfs/dbraw/zinc/53/30/25/439533025.db2.gz YVFIHMXWQDHWIJ-ZDUSSCGKSA-N 1 1 336.348 0.500 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000599688666 439536559 /nfs/dbraw/zinc/53/65/59/439536559.db2.gz LIKNIWLONFCOMD-GFQSEFKGSA-N 1 1 340.380 0.814 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000594568888 439577625 /nfs/dbraw/zinc/57/76/25/439577625.db2.gz GBDNOXZTSZXXJG-ZDUSSCGKSA-N 1 1 335.364 0.792 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599939247 439579988 /nfs/dbraw/zinc/57/99/88/439579988.db2.gz UCDIXCIOGBDUEL-STQMWFEESA-N 1 1 335.360 0.885 20 5 ECBDMO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000610782865 439646154 /nfs/dbraw/zinc/64/61/54/439646154.db2.gz DVKJJXVHRGQBJS-GFCCVEGCSA-N 1 1 330.410 0.999 20 5 ECBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000610782865 439646157 /nfs/dbraw/zinc/64/61/57/439646157.db2.gz DVKJJXVHRGQBJS-GFCCVEGCSA-N 1 1 330.410 0.999 20 5 ECBDMO COc1ccc(CC(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900724 439656210 /nfs/dbraw/zinc/65/62/10/439656210.db2.gz IYMTVVZNXDAJOM-IAQYHMDHSA-N 1 1 337.376 0.981 20 5 ECBDMO COc1ccc(CC(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1[N+](=O)[O-] ZINC000610900724 439656215 /nfs/dbraw/zinc/65/62/15/439656215.db2.gz IYMTVVZNXDAJOM-IAQYHMDHSA-N 1 1 337.376 0.981 20 5 ECBDMO C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1CCO ZINC000614662901 439783943 /nfs/dbraw/zinc/78/39/43/439783943.db2.gz WGLGCKJPQVOYQZ-GFCCVEGCSA-N 1 1 337.376 0.864 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000618923388 440178276 /nfs/dbraw/zinc/17/82/76/440178276.db2.gz ICBXKTZTGWXXKV-HNNXBMFYSA-N 1 1 339.396 0.799 20 5 ECBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000340233444 321026676 /nfs/dbraw/zinc/02/66/76/321026676.db2.gz VXDYLAOPXYUOJU-UHFFFAOYSA-N 1 1 339.396 0.043 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347308836 321235420 /nfs/dbraw/zinc/23/54/20/321235420.db2.gz NNDRLRKWMDGWKY-XQQFMLRXSA-N 1 1 326.349 0.152 20 5 ECBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3[C@H](CO)CC[C@H]3CO)n2)c1 ZINC000347334119 321236470 /nfs/dbraw/zinc/23/64/70/321236470.db2.gz MKAWVMVEWGXFQV-STQMWFEESA-N 1 1 334.332 0.962 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354447071 321479186 /nfs/dbraw/zinc/47/91/86/321479186.db2.gz OACGOTSSIHCJEN-UHFFFAOYSA-N 1 1 335.364 0.117 20 5 ECBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000534275076 322073805 /nfs/dbraw/zinc/07/38/05/322073805.db2.gz SNQHFLQVMZBDFS-HNNXBMFYSA-N 1 1 334.376 0.480 20 5 ECBDMO CN(C)CC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000563014348 322292811 /nfs/dbraw/zinc/29/28/11/322292811.db2.gz UHEMNKACZXCJTL-CQSZACIVSA-N 1 1 325.413 0.864 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000566118818 322503485 /nfs/dbraw/zinc/50/34/85/322503485.db2.gz HMYVKRUQSDTCKE-VIFPVBQESA-N 1 1 346.269 0.751 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000184335979 528552056 /nfs/dbraw/zinc/55/20/56/528552056.db2.gz OLCGBPJCFHSRPE-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186894162 545899179 /nfs/dbraw/zinc/89/91/79/545899179.db2.gz AYWJAOZEFHQYRD-LLVKDONJSA-N 1 1 325.369 0.095 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000619252377 546310874 /nfs/dbraw/zinc/31/08/74/546310874.db2.gz JTXQQDDOTZQZRD-QWRGUYRKSA-N 1 1 325.344 0.895 20 5 ECBDMO COc1ccc(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619874128 546376318 /nfs/dbraw/zinc/37/63/18/546376318.db2.gz ZFABOZBMLOBLML-ZDUSSCGKSA-N 1 1 334.376 0.723 20 5 ECBDMO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873530 546376758 /nfs/dbraw/zinc/37/67/58/546376758.db2.gz KMCDHWCJQWCKPC-CQSZACIVSA-N 1 1 347.419 0.903 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000780864954 578701689 /nfs/dbraw/zinc/70/16/89/578701689.db2.gz INHCWXVPUCALAS-VIFPVBQESA-N 1 1 335.407 0.655 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000780864954 578701691 /nfs/dbraw/zinc/70/16/91/578701691.db2.gz INHCWXVPUCALAS-VIFPVBQESA-N 1 1 335.407 0.655 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(N)=O)CC2)c1 ZINC000782265987 578722273 /nfs/dbraw/zinc/72/22/73/578722273.db2.gz GFKZRGUPHQWPGF-UHFFFAOYSA-N 1 1 336.348 0.743 20 5 ECBDMO NC(=O)C1([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000784190937 578749500 /nfs/dbraw/zinc/74/95/00/578749500.db2.gz UQPKHQYRMDDAOE-UHFFFAOYSA-N 1 1 341.389 0.756 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787594156 578810188 /nfs/dbraw/zinc/81/01/88/578810188.db2.gz ZRACLCSJEABPGB-UHFFFAOYSA-N 1 1 337.380 0.677 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380303 578853094 /nfs/dbraw/zinc/85/30/94/578853094.db2.gz XONOQVVWEKDBAE-SWLSCSKDSA-N 1 1 334.332 0.302 20 5 ECBDMO COC(=O)c1cnc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000790094829 578868215 /nfs/dbraw/zinc/86/82/15/578868215.db2.gz PUKZQPADEYYXSX-UHFFFAOYSA-N 1 1 337.336 0.138 20 5 ECBDMO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC000768767356 579131390 /nfs/dbraw/zinc/13/13/90/579131390.db2.gz FBUGNLDMJVTZAL-XJKSGUPXSA-N 1 1 348.403 0.556 20 5 ECBDMO CCc1ccc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000746582288 579842041 /nfs/dbraw/zinc/84/20/41/579842041.db2.gz IBKBXTMADISBNV-UHFFFAOYSA-N 1 1 334.376 0.837 20 5 ECBDMO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C)CC1 ZINC000888998245 586061294 /nfs/dbraw/zinc/06/12/94/586061294.db2.gz SPNWTSJFSPZPHR-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896579623 586259509 /nfs/dbraw/zinc/25/95/09/586259509.db2.gz HRFVYYYVKJKHLB-DOMZBBRYSA-N 1 1 336.392 0.724 20 5 ECBDMO C[NH2+]Cc1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000843218543 589054490 /nfs/dbraw/zinc/05/44/90/589054490.db2.gz ZWBSPEYYYWYILX-UHFFFAOYSA-N 1 1 349.303 0.650 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899946883 586514660 /nfs/dbraw/zinc/51/46/60/586514660.db2.gz JSQINZSTSKKDRB-CXAGYDPISA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060666 587094946 /nfs/dbraw/zinc/09/49/46/587094946.db2.gz OIRJQJOPYWHEHD-GOEBONIOSA-N 1 1 348.359 0.687 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060666 587094948 /nfs/dbraw/zinc/09/49/48/587094948.db2.gz OIRJQJOPYWHEHD-GOEBONIOSA-N 1 1 348.359 0.687 20 5 ECBDMO COCC[N@H+]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000821691314 587623193 /nfs/dbraw/zinc/62/31/93/587623193.db2.gz PSXQSAVPINQQNA-UHFFFAOYSA-N 1 1 347.379 0.933 20 5 ECBDMO C[C@@H](CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000826121936 587993933 /nfs/dbraw/zinc/99/39/33/587993933.db2.gz VASKBWRTEWBLQB-WFASDCNBSA-N 1 1 337.376 0.713 20 5 ECBDMO COC(=O)c1ccnc(N2CC[NH+](CCCCO)CC2)c1[N+](=O)[O-] ZINC000856732104 589672189 /nfs/dbraw/zinc/67/21/89/589672189.db2.gz ZLYJNJXQNCCCIA-UHFFFAOYSA-N 1 1 338.364 0.671 20 5 ECBDMO Cc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710207 589877623 /nfs/dbraw/zinc/87/76/23/589877623.db2.gz AOJKHTUOKSLLLU-NEPJUHHUSA-N 1 1 334.376 0.767 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861716560 589879268 /nfs/dbraw/zinc/87/92/68/589879268.db2.gz RPWWGPNYHSGUII-RRFJBIMHSA-N 1 1 335.360 0.296 20 5 ECBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](C)N3CC[NH2+]CC3=O)n2)n1C ZINC000863674311 590030388 /nfs/dbraw/zinc/03/03/88/590030388.db2.gz YWVCKUIUONDDTH-ZETCQYMHSA-N 1 1 335.324 0.180 20 5 ECBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665654 590139992 /nfs/dbraw/zinc/13/99/92/590139992.db2.gz RRRWHUBQSMRFSV-GHMZBOCLSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000872665654 590139995 /nfs/dbraw/zinc/13/99/95/590139995.db2.gz RRRWHUBQSMRFSV-GHMZBOCLSA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886043805 590788876 /nfs/dbraw/zinc/78/88/76/590788876.db2.gz KKKSBZZALNBMAU-AWEZNQCLSA-N 1 1 333.392 0.728 20 5 ECBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1 ZINC000930035390 611382456 /nfs/dbraw/zinc/38/24/56/611382456.db2.gz LRXUVUCMSRFAHV-UHFFFAOYSA-N 1 1 325.340 0.803 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931405764 611537114 /nfs/dbraw/zinc/53/71/14/611537114.db2.gz GEHVKFOTPVTAPU-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931405764 611537116 /nfs/dbraw/zinc/53/71/16/611537116.db2.gz GEHVKFOTPVTAPU-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@@H+](C)C[C@H]2CO)c1 ZINC000912747344 609999571 /nfs/dbraw/zinc/99/95/71/609999571.db2.gz HEEXGIODMUIXFE-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+](C)C[C@H]2CO)c1 ZINC000912747344 609999573 /nfs/dbraw/zinc/99/95/73/609999573.db2.gz HEEXGIODMUIXFE-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000072665024 611118756 /nfs/dbraw/zinc/11/87/56/611118756.db2.gz FUYNAEIDBREUHH-OLZOCXBDSA-N 1 1 349.391 0.723 20 5 ECBDMO C[C@@H]1CN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000072665024 611118758 /nfs/dbraw/zinc/11/87/58/611118758.db2.gz FUYNAEIDBREUHH-OLZOCXBDSA-N 1 1 349.391 0.723 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923304231 611227003 /nfs/dbraw/zinc/22/70/03/611227003.db2.gz PQBUYUADDGARFM-CQSZACIVSA-N 1 1 333.392 0.490 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000125041302 611333692 /nfs/dbraw/zinc/33/36/92/611333692.db2.gz XKVTXTHLUAERGV-UHFFFAOYSA-N 1 1 347.419 0.491 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@H]4COC[C@@H]4O3)CC2)cn1 ZINC000929170763 611735131 /nfs/dbraw/zinc/73/51/31/611735131.db2.gz BZVARSPYNINFKC-QEJZJMRPSA-N 1 1 334.376 0.916 20 5 ECBDMO CC(C)CN1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001164653162 719330719 /nfs/dbraw/zinc/33/07/19/719330719.db2.gz QSRFOKYUKBBRCR-UHFFFAOYSA-N 1 1 349.439 0.572 20 5 ECBDMO NC(=O)C(=O)N1CC2(C1)CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000981971116 751384487 /nfs/dbraw/zinc/38/44/87/751384487.db2.gz DDBJPBOPUCIGOO-UHFFFAOYSA-N 1 1 332.360 0.505 20 5 ECBDMO Cn1ncc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)n1 ZINC001026105605 740381675 /nfs/dbraw/zinc/38/16/75/740381675.db2.gz RCZGZBCZRPNTGM-JYAVWHMHSA-N 1 1 342.359 0.584 20 5 ECBDMO CCCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235411 741526929 /nfs/dbraw/zinc/52/69/29/741526929.db2.gz DTMPHADHPWDCNK-ZIAGYGMSSA-N 1 1 336.396 0.606 20 5 ECBDMO CC/C=C/CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC001105235575 741527217 /nfs/dbraw/zinc/52/72/17/741527217.db2.gz JZSRVQJJKYPYKK-LRPXVYOUSA-N 1 1 348.407 0.773 20 5 ECBDMO COc1ccnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000983648320 744992081 /nfs/dbraw/zinc/99/20/81/744992081.db2.gz IFRDAFQTUADXSJ-YIKOMLBNSA-N 1 1 334.376 0.740 20 5 ECBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc3nonc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655684 745003829 /nfs/dbraw/zinc/00/38/29/745003829.db2.gz URECHSBBLBNUBH-RTWAVKEYSA-N 1 1 345.359 0.872 20 5 ECBDMO Cn1cc(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001000674460 745688025 /nfs/dbraw/zinc/68/80/25/745688025.db2.gz OUJDUHQOULKLFG-HUUCEWRRSA-N 1 1 333.392 0.376 20 5 ECBDMO Cn1cc(CC[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001000674460 745688030 /nfs/dbraw/zinc/68/80/30/745688030.db2.gz OUJDUHQOULKLFG-HUUCEWRRSA-N 1 1 333.392 0.376 20 5 ECBDMO Cn1cc(CC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001000674460 745688035 /nfs/dbraw/zinc/68/80/35/745688035.db2.gz OUJDUHQOULKLFG-HUUCEWRRSA-N 1 1 333.392 0.376 20 5 ECBDMO Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001399701 746340975 /nfs/dbraw/zinc/34/09/75/746340975.db2.gz MVQXHGCQDSQUAH-UKRRQHHQSA-N 1 1 333.392 0.778 20 5 ECBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)CC(N)=O)CC1 ZINC000985342916 747757530 /nfs/dbraw/zinc/75/75/30/747757530.db2.gz WWEVKQBYJKWAQQ-UHFFFAOYSA-N 1 1 340.405 0.955 20 5 ECBDMO O=C(C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)N1CCCCC1 ZINC000996428425 757653508 /nfs/dbraw/zinc/65/35/08/757653508.db2.gz CIRFTDZONYITLM-ZIAGYGMSSA-N 1 1 338.408 0.245 20 5 ECBDMO Cn1nc(C2CC2)nc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429725 757658783 /nfs/dbraw/zinc/65/87/83/757658783.db2.gz UWEBJIBKGSQLGF-CHWSQXEVSA-N 1 1 348.407 0.438 20 5 ECBDMO NC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022061810 758224135 /nfs/dbraw/zinc/22/41/35/758224135.db2.gz WHOYXEIYCAPENF-XJFOESAGSA-N 1 1 332.360 0.188 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N[C@@H]1[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC001060456292 767224476 /nfs/dbraw/zinc/22/44/76/767224476.db2.gz QTTALERQIXCXDL-JYAVWHMHSA-N 1 1 342.359 0.746 20 5 ECBDMO CC(C)=CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055506140 768961240 /nfs/dbraw/zinc/96/12/40/768961240.db2.gz XSJTZRURDYZCPP-ZIAGYGMSSA-N 1 1 338.408 0.315 20 5 ECBDMO Cn1nncc1C(=O)NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031643660 771577507 /nfs/dbraw/zinc/57/75/07/771577507.db2.gz YCURLDLFFBGRAF-UHFFFAOYSA-N 1 1 330.348 0.585 20 5 ECBDMO Cc1nn(C)cc1C[NH+]1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001045436089 775609715 /nfs/dbraw/zinc/60/97/15/775609715.db2.gz HBMKJODELXIVMG-ZIAGYGMSSA-N 1 1 335.408 0.864 20 5 ECBDMO CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079743681 776787536 /nfs/dbraw/zinc/78/75/36/776787536.db2.gz BDRGUEFRCQQOHR-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CCC[N@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079743681 776787540 /nfs/dbraw/zinc/78/75/40/776787540.db2.gz BDRGUEFRCQQOHR-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CCC[N@@H+](C)CCC(=O)N1CC(N(CC)C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001079743681 776787544 /nfs/dbraw/zinc/78/75/44/776787544.db2.gz BDRGUEFRCQQOHR-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCC[NH+](C)C ZINC001067388550 793075526 /nfs/dbraw/zinc/07/55/26/793075526.db2.gz FVVHOVHGRSKIAF-CHWSQXEVSA-N 1 1 328.413 0.300 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428544804 210266724 /nfs/dbraw/zinc/26/67/24/210266724.db2.gz KGHAWGCHRDXGEX-CYBMUJFWSA-N 1 1 346.347 0.392 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000131276385 529386782 /nfs/dbraw/zinc/38/67/82/529386782.db2.gz WCEYPBJHGVVLLN-LLVKDONJSA-N 1 1 347.375 1.000 20 5 ECBDMO CNC(=O)c1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174693318 529937454 /nfs/dbraw/zinc/93/74/54/529937454.db2.gz GJYGYWPHCGRHNP-HNNXBMFYSA-N 1 1 347.375 0.644 20 5 ECBDMO O=C(C[N@@H+]1CCC[C@@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000101546771 219133435 /nfs/dbraw/zinc/13/34/35/219133435.db2.gz CNJRSBBRZSGZBW-MRXNPFEDSA-N 1 1 348.403 0.700 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000101697431 219158125 /nfs/dbraw/zinc/15/81/25/219158125.db2.gz OYQGGUAGSKHQGW-NSHDSACASA-N 1 1 338.364 0.860 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000072767599 216304319 /nfs/dbraw/zinc/30/43/19/216304319.db2.gz HWLLRONQZCRLQL-HNNXBMFYSA-N 1 1 348.403 0.990 20 5 ECBDMO COc1ccc(S(=O)(=O)NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000193209911 240062815 /nfs/dbraw/zinc/06/28/15/240062815.db2.gz DPERMEAVPQYQCW-UHFFFAOYSA-N 1 1 329.378 0.978 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000411606260 208121774 /nfs/dbraw/zinc/12/17/74/208121774.db2.gz BIYMXEDQSWLRQW-NWDGAFQWSA-N 1 1 325.365 0.987 20 5 ECBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000411955968 208178292 /nfs/dbraw/zinc/17/82/92/208178292.db2.gz ARYGMPZITXNUTP-MRXNPFEDSA-N 1 1 329.360 0.920 20 5 ECBDMO COC(=O)[C@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000191867833 533431217 /nfs/dbraw/zinc/43/12/17/533431217.db2.gz ATYVCLHCGGGASB-WXHSDQCUSA-N 1 1 326.353 0.283 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000186963857 533673511 /nfs/dbraw/zinc/67/35/11/533673511.db2.gz GTEIUNLILPVJGB-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000186963857 533673517 /nfs/dbraw/zinc/67/35/17/533673517.db2.gz GTEIUNLILPVJGB-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO CCc1nnc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000190705727 165024676 /nfs/dbraw/zinc/02/46/76/165024676.db2.gz MSIIPZJRRSTHRN-ZDUSSCGKSA-N 1 1 349.395 0.712 20 5 ECBDMO CCc1nc(C2CC[NH+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000190705727 165024677 /nfs/dbraw/zinc/02/46/77/165024677.db2.gz MSIIPZJRRSTHRN-ZDUSSCGKSA-N 1 1 349.395 0.712 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000192921173 165050652 /nfs/dbraw/zinc/05/06/52/165050652.db2.gz GSSYFCSYJPYRJX-BETUJISGSA-N 1 1 325.390 0.918 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245469296 165107392 /nfs/dbraw/zinc/10/73/92/165107392.db2.gz UXJZLYNSLGEATH-TZMCWYRMSA-N 1 1 349.391 0.723 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000245469296 165107396 /nfs/dbraw/zinc/10/73/96/165107396.db2.gz UXJZLYNSLGEATH-TZMCWYRMSA-N 1 1 349.391 0.723 20 5 ECBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000261718711 165231244 /nfs/dbraw/zinc/23/12/44/165231244.db2.gz LGRWWAJIYSEKNQ-LBPRGKRZSA-N 1 1 333.352 0.088 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000270684001 263262258 /nfs/dbraw/zinc/26/22/58/263262258.db2.gz QLBCDUJCMOJLTH-GFCCVEGCSA-N 1 1 325.369 0.144 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000275128463 263554149 /nfs/dbraw/zinc/55/41/49/263554149.db2.gz JVVOIPGQLMUNMM-NSHDSACASA-N 1 1 341.339 0.638 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000284852259 264246215 /nfs/dbraw/zinc/24/62/15/264246215.db2.gz CYELUMFDRSPKBW-QWHCGFSZSA-N 1 1 338.339 0.861 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284965511 264263784 /nfs/dbraw/zinc/26/37/84/264263784.db2.gz WSEWLLSSSBRMHG-CABCVRRESA-N 1 1 334.376 0.599 20 5 ECBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[N@H+](C)C1 ZINC000285033094 264271482 /nfs/dbraw/zinc/27/14/82/264271482.db2.gz MXMPXPFSGDNKGO-RYUDHWBXSA-N 1 1 343.405 0.934 20 5 ECBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccccc2[N+](=O)[O-])[N@@H+](C)C1 ZINC000285033094 264271484 /nfs/dbraw/zinc/27/14/84/264271484.db2.gz MXMPXPFSGDNKGO-RYUDHWBXSA-N 1 1 343.405 0.934 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCN(C)CC2)c1 ZINC000299190308 265347669 /nfs/dbraw/zinc/34/76/69/265347669.db2.gz MUWKAAWBRIIHHU-UHFFFAOYSA-N 1 1 336.392 0.971 20 5 ECBDMO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000186814131 274362779 /nfs/dbraw/zinc/36/27/79/274362779.db2.gz RZSVZUVOBQTFIJ-LLVKDONJSA-N 1 1 336.392 0.975 20 5 ECBDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000343521272 437597639 /nfs/dbraw/zinc/59/76/39/437597639.db2.gz IVGJFGBUKKPLNY-LBPRGKRZSA-N 1 1 332.364 0.823 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000414143446 280258907 /nfs/dbraw/zinc/25/89/07/280258907.db2.gz LOSKJHHPXWSTTQ-GMXVVIOVSA-N 1 1 325.365 0.535 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222830 437609278 /nfs/dbraw/zinc/60/92/78/437609278.db2.gz PHAFFOBSZZYSTD-GFCCVEGCSA-N 1 1 336.348 0.752 20 5 ECBDMO CC(=O)N1CCN(C(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338376819 297262865 /nfs/dbraw/zinc/26/28/65/297262865.db2.gz LWYMMPRLTJSENI-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338376819 297262867 /nfs/dbraw/zinc/26/28/67/297262867.db2.gz LWYMMPRLTJSENI-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO NS(=O)(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000339843690 297396417 /nfs/dbraw/zinc/39/64/17/297396417.db2.gz WNSZSHQAQBHDQV-JTQLQIEISA-N 1 1 342.377 0.286 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CC[NH+](C)CC1 ZINC000345581563 298170702 /nfs/dbraw/zinc/17/07/02/298170702.db2.gz FYFRQWHFPJSELL-AWEZNQCLSA-N 1 1 337.424 0.935 20 5 ECBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346200053 298238263 /nfs/dbraw/zinc/23/82/63/298238263.db2.gz QVWNGRMZCNPBLQ-MJBXVCDLSA-N 1 1 348.403 0.945 20 5 ECBDMO COC(=O)C[C@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362270262 300178669 /nfs/dbraw/zinc/17/86/69/300178669.db2.gz NKADGEBLWLNWPW-OAHLLOKOSA-N 1 1 337.332 0.845 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000363966776 300312065 /nfs/dbraw/zinc/31/20/65/300312065.db2.gz VNOKLNLFMJXMHK-OAHLLOKOSA-N 1 1 335.408 0.833 20 5 ECBDMO CC[N@H+]1CCO[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000363966776 300312067 /nfs/dbraw/zinc/31/20/67/300312067.db2.gz VNOKLNLFMJXMHK-OAHLLOKOSA-N 1 1 335.408 0.833 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000008178098 436023947 /nfs/dbraw/zinc/02/39/47/436023947.db2.gz ZKYSTDROOHGWHI-UHFFFAOYSA-N 1 1 328.394 0.645 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370548316 300839998 /nfs/dbraw/zinc/83/99/98/300839998.db2.gz UZOYGIYODNULFZ-QWHCGFSZSA-N 1 1 337.380 0.551 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637734 301117981 /nfs/dbraw/zinc/11/79/81/301117981.db2.gz RZCPFUFEKBIVPQ-NDBYEHHHSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637734 301117983 /nfs/dbraw/zinc/11/79/83/301117983.db2.gz RZCPFUFEKBIVPQ-NDBYEHHHSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)CNC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375403236 301172476 /nfs/dbraw/zinc/17/24/76/301172476.db2.gz LLPZJIMHQHJVDT-LLVKDONJSA-N 1 1 339.352 0.108 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000375497139 301180129 /nfs/dbraw/zinc/18/01/29/301180129.db2.gz QTFWIBHUBYSWRF-LLVKDONJSA-N 1 1 325.369 0.015 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000375497140 301180173 /nfs/dbraw/zinc/18/01/73/301180173.db2.gz QTFWIBHUBYSWRF-NSHDSACASA-N 1 1 325.369 0.015 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000028659499 436191104 /nfs/dbraw/zinc/19/11/04/436191104.db2.gz ABVCROSHFKNFAQ-HIFRSBDPSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1ccccc1[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+](C)C ZINC000048313064 436449694 /nfs/dbraw/zinc/44/96/94/436449694.db2.gz BKOMKVKEGWOUEG-GFCCVEGCSA-N 1 1 348.363 0.614 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000061021042 436635322 /nfs/dbraw/zinc/63/53/22/436635322.db2.gz IXVRJFAUAOGFEO-MFKMUULPSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000061021042 436635324 /nfs/dbraw/zinc/63/53/24/436635324.db2.gz IXVRJFAUAOGFEO-MFKMUULPSA-N 1 1 346.343 0.424 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000545154494 302231080 /nfs/dbraw/zinc/23/10/80/302231080.db2.gz OHHKMIFJUSWLRT-OAHLLOKOSA-N 1 1 337.332 0.162 20 5 ECBDMO C[C@H]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000137533106 436659695 /nfs/dbraw/zinc/65/96/95/436659695.db2.gz FNKRCMODMPUADH-GXTWGEPZSA-N 1 1 344.375 0.966 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(CO)CO ZINC000269306782 436656734 /nfs/dbraw/zinc/65/67/34/436656734.db2.gz GNIOHMWFYJSBPE-ZDUSSCGKSA-N 1 1 328.365 0.257 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000269347448 436662746 /nfs/dbraw/zinc/66/27/46/436662746.db2.gz QQXUQASOABQACP-UHFFFAOYSA-N 1 1 325.369 0.893 20 5 ECBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000153586535 436759365 /nfs/dbraw/zinc/75/93/65/436759365.db2.gz HSRYUOSMENAHFG-YPMHNXCESA-N 1 1 347.366 0.814 20 5 ECBDMO COCC[N@H+]1CC[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273502894 436760150 /nfs/dbraw/zinc/76/01/50/436760150.db2.gz SGVXSNZBVGSVCV-SNVBAGLBSA-N 1 1 344.393 0.375 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067536410 436715673 /nfs/dbraw/zinc/71/56/73/436715673.db2.gz OFEKNWPMQJELBX-UHFFFAOYSA-N 1 1 349.391 0.604 20 5 ECBDMO O=C(CC[N@H+](CCO)CCCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128603366 436818489 /nfs/dbraw/zinc/81/84/89/436818489.db2.gz RVNFFIZNKSERMP-UHFFFAOYSA-N 1 1 329.328 0.739 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000251438722 436828690 /nfs/dbraw/zinc/82/86/90/436828690.db2.gz CIZVHPWLDLLSIR-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000275134006 436928062 /nfs/dbraw/zinc/92/80/62/436928062.db2.gz SMYLMXUPNRKFAP-SECBINFHSA-N 1 1 335.286 0.792 20 5 ECBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)(CO)CO ZINC000135864638 436926043 /nfs/dbraw/zinc/92/60/43/436926043.db2.gz KCKVQOGISRQDMY-UHFFFAOYSA-N 1 1 325.365 0.846 20 5 ECBDMO O=C([C@@H]1COCC[NH2+]1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000160909484 436880617 /nfs/dbraw/zinc/88/06/17/436880617.db2.gz HNVSFFUIGDUYKV-HNNXBMFYSA-N 1 1 335.360 0.953 20 5 ECBDMO COCCC[N@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000275438660 436969176 /nfs/dbraw/zinc/96/91/76/436969176.db2.gz JXLBFDZJAUVODE-UHFFFAOYSA-N 1 1 325.365 0.888 20 5 ECBDMO COCCC[N@@H+](CCO)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000275438660 436969178 /nfs/dbraw/zinc/96/91/78/436969178.db2.gz JXLBFDZJAUVODE-UHFFFAOYSA-N 1 1 325.365 0.888 20 5 ECBDMO Cc1cn(CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)nc1[N+](=O)[O-] ZINC000281087202 436946269 /nfs/dbraw/zinc/94/62/69/436946269.db2.gz CPDUGYRQUUWCEI-CYBMUJFWSA-N 1 1 339.396 0.573 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170910000 436961046 /nfs/dbraw/zinc/96/10/46/436961046.db2.gz FPZPLFGZFMBCRV-DZGCQCFKSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170910000 436961048 /nfs/dbraw/zinc/96/10/48/436961048.db2.gz FPZPLFGZFMBCRV-DZGCQCFKSA-N 1 1 337.376 0.935 20 5 ECBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000275853351 437021390 /nfs/dbraw/zinc/02/13/90/437021390.db2.gz NDZBWLLPQACRCQ-UHFFFAOYSA-N 1 1 337.332 0.776 20 5 ECBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000275853351 437021393 /nfs/dbraw/zinc/02/13/93/437021393.db2.gz NDZBWLLPQACRCQ-UHFFFAOYSA-N 1 1 337.332 0.776 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000296120590 436984906 /nfs/dbraw/zinc/98/49/06/436984906.db2.gz HROGDZMUFZAYSP-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296120590 436984908 /nfs/dbraw/zinc/98/49/08/436984908.db2.gz HROGDZMUFZAYSP-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000171663277 436985753 /nfs/dbraw/zinc/98/57/53/436985753.db2.gz QYPKWBOLWZYNQB-LLVKDONJSA-N 1 1 339.396 0.967 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275700747 437002046 /nfs/dbraw/zinc/00/20/46/437002046.db2.gz SIMYUMCBGCLBAA-LLVKDONJSA-N 1 1 329.378 0.594 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000275700747 437002050 /nfs/dbraw/zinc/00/20/50/437002050.db2.gz SIMYUMCBGCLBAA-LLVKDONJSA-N 1 1 329.378 0.594 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000275749660 437009309 /nfs/dbraw/zinc/00/93/09/437009309.db2.gz NMAUFKAWOWUXKV-GFCCVEGCSA-N 1 1 337.380 0.971 20 5 ECBDMO C[C@@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000282098518 437009433 /nfs/dbraw/zinc/00/94/33/437009433.db2.gz PBMBTUUWGVRALI-NWDGAFQWSA-N 1 1 325.365 0.987 20 5 ECBDMO COCC[N@@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000299540203 437086402 /nfs/dbraw/zinc/08/64/02/437086402.db2.gz UCPVJUQHRKNUMA-UHFFFAOYSA-N 1 1 327.385 0.574 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000276450743 437105995 /nfs/dbraw/zinc/10/59/95/437105995.db2.gz MVZLDBUZONEVQG-OAHLLOKOSA-N 1 1 336.348 0.154 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000176904157 437161574 /nfs/dbraw/zinc/16/15/74/437161574.db2.gz NXAOMJRHFAONFV-INIZCTEOSA-N 1 1 337.376 0.716 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000265417276 437126996 /nfs/dbraw/zinc/12/69/96/437126996.db2.gz VHUGRUZTTGXFAB-NSHDSACASA-N 1 1 336.348 0.752 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000286825920 437134976 /nfs/dbraw/zinc/13/49/76/437134976.db2.gz YQBYFQNSUDNIMK-LLVKDONJSA-N 1 1 338.364 0.588 20 5 ECBDMO COCC[N@@H+](C)CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000277185903 437198515 /nfs/dbraw/zinc/19/85/15/437198515.db2.gz WEADSMFFDFMCEH-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO CCOC(=O)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179205884 437255030 /nfs/dbraw/zinc/25/50/30/437255030.db2.gz IHMRQEHFMJJZLX-UHFFFAOYSA-N 1 1 338.364 0.921 20 5 ECBDMO CCOC(=O)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179205884 437255031 /nfs/dbraw/zinc/25/50/31/437255031.db2.gz IHMRQEHFMJJZLX-UHFFFAOYSA-N 1 1 338.364 0.921 20 5 ECBDMO NC(=O)c1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)nc1 ZINC000266906999 437264147 /nfs/dbraw/zinc/26/41/47/437264147.db2.gz KDSIDTHCWKZHKH-UHFFFAOYSA-N 1 1 345.363 0.107 20 5 ECBDMO CS(=O)(=O)NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267085684 437286588 /nfs/dbraw/zinc/28/65/88/437286588.db2.gz OKFFMEIOCXYVMU-LLVKDONJSA-N 1 1 331.398 0.053 20 5 ECBDMO CC(=O)N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000182217436 437342377 /nfs/dbraw/zinc/34/23/77/437342377.db2.gz OVPNUWALSAMZSI-ZDUSSCGKSA-N 1 1 325.369 0.095 20 5 ECBDMO CC(=O)N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC000182217436 437342381 /nfs/dbraw/zinc/34/23/81/437342381.db2.gz OVPNUWALSAMZSI-ZDUSSCGKSA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170327 437378001 /nfs/dbraw/zinc/37/80/01/437378001.db2.gz JVWBJISDVPWBJZ-NHYWBVRUSA-N 1 1 346.387 0.924 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000279200854 437382350 /nfs/dbraw/zinc/38/23/50/437382350.db2.gz LTYGMWOOZPMAAL-OKILXGFUSA-N 1 1 346.387 0.735 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000186755649 437485145 /nfs/dbraw/zinc/48/51/45/437485145.db2.gz IAAPZEVCPUWEGF-LBPRGKRZSA-N 1 1 337.380 0.659 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000339047654 437437128 /nfs/dbraw/zinc/43/71/28/437437128.db2.gz NHMNULTYJQDZJA-VHSXEESVSA-N 1 1 331.398 0.572 20 5 ECBDMO CCn1cc(C[N@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000361345530 437661675 /nfs/dbraw/zinc/66/16/75/437661675.db2.gz JAYDUUQTYNAFRW-UHFFFAOYSA-N 1 1 335.364 0.467 20 5 ECBDMO CCn1cc(C[N@@H+](CCO)CCn2cc([N+](=O)[O-])ccc2=O)cn1 ZINC000361345530 437661680 /nfs/dbraw/zinc/66/16/80/437661680.db2.gz JAYDUUQTYNAFRW-UHFFFAOYSA-N 1 1 335.364 0.467 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192145746 437669118 /nfs/dbraw/zinc/66/91/18/437669118.db2.gz RWTPCMWXEBIHDT-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292278574 437675359 /nfs/dbraw/zinc/67/53/59/437675359.db2.gz QRUCVVNWDSFUHN-QGZVFWFLSA-N 1 1 346.387 0.879 20 5 ECBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292284995 437676705 /nfs/dbraw/zinc/67/67/05/437676705.db2.gz TWIWTQSQOPWXDI-ZIAGYGMSSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292284995 437676710 /nfs/dbraw/zinc/67/67/10/437676710.db2.gz TWIWTQSQOPWXDI-ZIAGYGMSSA-N 1 1 343.405 0.594 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000355439397 437706642 /nfs/dbraw/zinc/70/66/42/437706642.db2.gz FZJMIAJDGPSMRO-LBPRGKRZSA-N 1 1 337.380 0.953 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365543492 437931465 /nfs/dbraw/zinc/93/14/65/437931465.db2.gz CQSODDPGRUBRCS-AEGPPILISA-N 1 1 346.387 0.699 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502099 437943941 /nfs/dbraw/zinc/94/39/41/437943941.db2.gz ZSLQVIPIEYFMRJ-VXGBXAGGSA-N 1 1 349.343 0.917 20 5 ECBDMO NC(=O)c1ccnc(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000357333711 437967443 /nfs/dbraw/zinc/96/74/43/437967443.db2.gz UWZIEGOEOAJIFD-UHFFFAOYSA-N 1 1 330.348 1.276 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365914506 437986615 /nfs/dbraw/zinc/98/66/15/437986615.db2.gz BNVMXZLBNHLRST-ZDUSSCGKSA-N 1 1 337.380 0.676 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000365914506 437986624 /nfs/dbraw/zinc/98/66/24/437986624.db2.gz BNVMXZLBNHLRST-ZDUSSCGKSA-N 1 1 337.380 0.676 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)C1 ZINC000372013694 438024262 /nfs/dbraw/zinc/02/42/62/438024262.db2.gz PHIBRUDNRVKAGU-CQSZACIVSA-N 1 1 333.392 0.842 20 5 ECBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000348284259 438041743 /nfs/dbraw/zinc/04/17/43/438041743.db2.gz PNCYVKHDNWJIPU-GOEBONIOSA-N 1 1 337.424 0.816 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428555626 438091778 /nfs/dbraw/zinc/09/17/78/438091778.db2.gz ZAZVHUGYQQTFSS-HNNXBMFYSA-N 1 1 345.359 0.997 20 5 ECBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531288 438071145 /nfs/dbraw/zinc/07/11/45/438071145.db2.gz MEMMHOHRPMMBFN-YRGRVCCFSA-N 1 1 337.376 0.920 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366759638 438121472 /nfs/dbraw/zinc/12/14/72/438121472.db2.gz RASIDOGIYZYLIW-JSGCOSHPSA-N 1 1 348.359 0.513 20 5 ECBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000358021949 438125762 /nfs/dbraw/zinc/12/57/62/438125762.db2.gz GNPLTITUZFXRCC-LBPRGKRZSA-N 1 1 325.369 0.408 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000373074675 438128429 /nfs/dbraw/zinc/12/84/29/438128429.db2.gz OXYUDBHJJUWYIR-ZDUSSCGKSA-N 1 1 333.348 0.808 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000373074675 438128434 /nfs/dbraw/zinc/12/84/34/438128434.db2.gz OXYUDBHJJUWYIR-ZDUSSCGKSA-N 1 1 333.348 0.808 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000358060835 438135838 /nfs/dbraw/zinc/13/58/38/438135838.db2.gz GEHBPCVOGKQCHO-INIZCTEOSA-N 1 1 345.359 0.577 20 5 ECBDMO COC(=O)c1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000358058766 438137549 /nfs/dbraw/zinc/13/75/49/438137549.db2.gz QSHPUHGCLIWFKS-OAHLLOKOSA-N 1 1 337.332 0.178 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000373306010 438143271 /nfs/dbraw/zinc/14/32/71/438143271.db2.gz SXCYIIVNEVJCCF-QWHCGFSZSA-N 1 1 349.391 0.865 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000432241634 438187877 /nfs/dbraw/zinc/18/78/77/438187877.db2.gz QSMJMUCUBKVIKE-SCRDCRAPSA-N 1 1 340.376 0.936 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000432241634 438187881 /nfs/dbraw/zinc/18/78/81/438187881.db2.gz QSMJMUCUBKVIKE-SCRDCRAPSA-N 1 1 340.376 0.936 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[NH2+]C[C@H]2C(F)F)c(C)c1[N+](=O)[O-] ZINC000367281980 438192701 /nfs/dbraw/zinc/19/27/01/438192701.db2.gz FPUWPWJZXLGDQW-JTQLQIEISA-N 1 1 331.323 0.864 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111401 438167673 /nfs/dbraw/zinc/16/76/73/438167673.db2.gz XBNCJBUUSURUSU-CMPLNLGQSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111401 438167676 /nfs/dbraw/zinc/16/76/76/438167676.db2.gz XBNCJBUUSURUSU-CMPLNLGQSA-N 1 1 336.348 0.679 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351577899 438294734 /nfs/dbraw/zinc/29/47/34/438294734.db2.gz VVBCXRDKJOSQEB-UHFFFAOYSA-N 1 1 342.327 0.103 20 5 ECBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000368851557 438393423 /nfs/dbraw/zinc/39/34/23/438393423.db2.gz AEFHVOKCAIYTPK-SNVBAGLBSA-N 1 1 335.324 0.116 20 5 ECBDMO COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007369 438409547 /nfs/dbraw/zinc/40/95/47/438409547.db2.gz HWCPNZMDIOJIDK-CHWSQXEVSA-N 1 1 339.396 0.969 20 5 ECBDMO COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007369 438409553 /nfs/dbraw/zinc/40/95/53/438409553.db2.gz HWCPNZMDIOJIDK-CHWSQXEVSA-N 1 1 339.396 0.969 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420967821 438453194 /nfs/dbraw/zinc/45/31/94/438453194.db2.gz ARJMIJFIKFBTGN-GFCCVEGCSA-N 1 1 332.360 0.552 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420967821 438453198 /nfs/dbraw/zinc/45/31/98/438453198.db2.gz ARJMIJFIKFBTGN-GFCCVEGCSA-N 1 1 332.360 0.552 20 5 ECBDMO NC(=O)c1cccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000439169627 438501296 /nfs/dbraw/zinc/50/12/96/438501296.db2.gz PHEXOEFDQUZSEL-GFCCVEGCSA-N 1 1 334.376 0.852 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000441991167 438595745 /nfs/dbraw/zinc/59/57/45/438595745.db2.gz LCTPJURYIVXWBD-SNVBAGLBSA-N 1 1 348.359 0.895 20 5 ECBDMO C[C@H]1[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000494029169 438666514 /nfs/dbraw/zinc/66/65/14/438666514.db2.gz VGWLREWDSUZQHB-JSGCOSHPSA-N 1 1 344.375 0.966 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457088772 438791568 /nfs/dbraw/zinc/79/15/68/438791568.db2.gz CFEYHVXSJPPFAY-SNVBAGLBSA-N 1 1 343.330 0.941 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000457088772 438791571 /nfs/dbraw/zinc/79/15/71/438791571.db2.gz CFEYHVXSJPPFAY-SNVBAGLBSA-N 1 1 343.330 0.941 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304639 438828881 /nfs/dbraw/zinc/82/88/81/438828881.db2.gz LRMANPRAUQTUGH-ZWNOBZJWSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)C[C@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304639 438828886 /nfs/dbraw/zinc/82/88/86/438828886.db2.gz LRMANPRAUQTUGH-ZWNOBZJWSA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC000596067335 438921290 /nfs/dbraw/zinc/92/12/90/438921290.db2.gz ZITXFCPWUSAUPL-QMMMGPOBSA-N 1 1 329.154 0.621 20 5 ECBDMO COC(=O)c1cnc(N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000590567713 438935712 /nfs/dbraw/zinc/93/57/12/438935712.db2.gz CTINDZNYALDOSY-UHFFFAOYSA-N 1 1 336.348 0.545 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000590776650 438957846 /nfs/dbraw/zinc/95/78/46/438957846.db2.gz QYTBFOHFOGMUBL-OCCSQVGLSA-N 1 1 332.360 0.487 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000174337383 533698112 /nfs/dbraw/zinc/69/81/12/533698112.db2.gz VGILAKVIMWETBI-GHMZBOCLSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000174337383 533698118 /nfs/dbraw/zinc/69/81/18/533698118.db2.gz VGILAKVIMWETBI-GHMZBOCLSA-N 1 1 347.375 0.998 20 5 ECBDMO O=C1[C@H]([N@@H+]2CCC[C@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629277 438982010 /nfs/dbraw/zinc/98/20/10/438982010.db2.gz GYKOCVVMONPDOI-GDBMZVCRSA-N 1 1 335.360 0.519 20 5 ECBDMO O=C1[C@H]([N@H+]2CCC[C@](O)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459629277 438982015 /nfs/dbraw/zinc/98/20/15/438982015.db2.gz GYKOCVVMONPDOI-GDBMZVCRSA-N 1 1 335.360 0.519 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459652096 438985884 /nfs/dbraw/zinc/98/58/84/438985884.db2.gz QBQQNWBPJIQAQE-UKRRQHHQSA-N 1 1 326.349 0.154 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709247 438990245 /nfs/dbraw/zinc/99/02/45/438990245.db2.gz PFXVDQRDAINCAF-KOLCDFICSA-N 1 1 348.302 0.990 20 5 ECBDMO COc1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709247 438990247 /nfs/dbraw/zinc/99/02/47/438990247.db2.gz PFXVDQRDAINCAF-KOLCDFICSA-N 1 1 348.302 0.990 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000579971063 439053953 /nfs/dbraw/zinc/05/39/53/439053953.db2.gz SLHASODEGJNKIV-LLVKDONJSA-N 1 1 337.380 0.803 20 5 ECBDMO CO[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@](C)(CO)C1 ZINC000602965026 439172176 /nfs/dbraw/zinc/17/21/76/439172176.db2.gz XYEBVYHFDRONFH-YOEHRIQHSA-N 1 1 349.387 0.956 20 5 ECBDMO CO[C@@H]1C[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@](C)(CO)C1 ZINC000602965026 439172180 /nfs/dbraw/zinc/17/21/80/439172180.db2.gz XYEBVYHFDRONFH-YOEHRIQHSA-N 1 1 349.387 0.956 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000597573834 439129569 /nfs/dbraw/zinc/12/95/69/439129569.db2.gz JKFPROMVVYJBEW-CQSZACIVSA-N 1 1 325.369 0.409 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000488879481 439205321 /nfs/dbraw/zinc/20/53/21/439205321.db2.gz RZOPRDDJYSRHBM-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO C[C@@H]1C[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000598000473 439210801 /nfs/dbraw/zinc/21/08/01/439210801.db2.gz VCRBUQMABCKNQG-NWDGAFQWSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000598000473 439210808 /nfs/dbraw/zinc/21/08/08/439210808.db2.gz VCRBUQMABCKNQG-NWDGAFQWSA-N 1 1 325.369 0.407 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559838 439280948 /nfs/dbraw/zinc/28/09/48/439280948.db2.gz IQYYZFWLRQTWLJ-AWEZNQCLSA-N 1 1 348.403 0.995 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000604562163 439320426 /nfs/dbraw/zinc/32/04/26/439320426.db2.gz KMHDLXVRVOJZPB-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@H]2C1 ZINC000598621292 439289606 /nfs/dbraw/zinc/28/96/06/439289606.db2.gz JHDJUOUYBGINRQ-TXEJJXNPSA-N 1 1 334.380 0.219 20 5 ECBDMO CC(C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000603931891 439293666 /nfs/dbraw/zinc/29/36/66/439293666.db2.gz ZKRPYPNBDPUMOG-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC000599109014 439359858 /nfs/dbraw/zinc/35/98/58/439359858.db2.gz YZVLHWUJXZPNKV-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1C ZINC000599104408 439358713 /nfs/dbraw/zinc/35/87/13/439358713.db2.gz ABFIVWZUSDYIQK-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C(C)(C)C1 ZINC000593337077 439368813 /nfs/dbraw/zinc/36/88/13/439368813.db2.gz CKNCZNGVVPCRKO-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c([N+](=O)[O-])cc12 ZINC000593508653 439390390 /nfs/dbraw/zinc/39/03/90/439390390.db2.gz UMISIPAUNHQKAN-SNVBAGLBSA-N 1 1 331.332 0.499 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC([N@H+]4CC[C@@H](O)C4)C3)c([N+](=O)[O-])cc12 ZINC000593508653 439390397 /nfs/dbraw/zinc/39/03/97/439390397.db2.gz UMISIPAUNHQKAN-SNVBAGLBSA-N 1 1 331.332 0.499 20 5 ECBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233100 439393114 /nfs/dbraw/zinc/39/31/14/439393114.db2.gz RRQSGUPHGDDLTB-SNVBAGLBSA-N 1 1 329.382 0.186 20 5 ECBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599233100 439393116 /nfs/dbraw/zinc/39/31/16/439393116.db2.gz RRQSGUPHGDDLTB-SNVBAGLBSA-N 1 1 329.382 0.186 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000593572544 439410456 /nfs/dbraw/zinc/41/04/56/439410456.db2.gz OQSWYNWGPZDSEK-ZYHUDNBSSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000593572544 439410460 /nfs/dbraw/zinc/41/04/60/439410460.db2.gz OQSWYNWGPZDSEK-ZYHUDNBSSA-N 1 1 326.378 0.705 20 5 ECBDMO Cn1cnnc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000594021825 439510443 /nfs/dbraw/zinc/51/04/43/439510443.db2.gz AAHBQXCWRZHWQG-UHFFFAOYSA-N 1 1 332.364 0.924 20 5 ECBDMO O=C1[C@H](N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000594025166 439509862 /nfs/dbraw/zinc/50/98/62/439509862.db2.gz CCERTMHSBPCPMW-ARFHVFGLSA-N 1 1 346.387 0.451 20 5 ECBDMO NC(=O)C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599666619 439534164 /nfs/dbraw/zinc/53/41/64/439534164.db2.gz YVFIHMXWQDHWIJ-CYBMUJFWSA-N 1 1 336.348 0.500 20 5 ECBDMO NC(=O)C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000599666619 439534167 /nfs/dbraw/zinc/53/41/67/439534167.db2.gz YVFIHMXWQDHWIJ-CYBMUJFWSA-N 1 1 336.348 0.500 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393437 439553565 /nfs/dbraw/zinc/55/35/65/439553565.db2.gz MVBSIKICFWFOMV-WDEREUQCSA-N 1 1 349.343 0.257 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000609442904 439570075 /nfs/dbraw/zinc/57/00/75/439570075.db2.gz UFRMFNUUDZJEKB-NSHDSACASA-N 1 1 330.348 1.000 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753762 439602690 /nfs/dbraw/zinc/60/26/90/439602690.db2.gz MXGNOBIABNKWBM-LLVKDONJSA-N 1 1 328.394 0.952 20 5 ECBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000594769742 439607243 /nfs/dbraw/zinc/60/72/43/439607243.db2.gz CZDHPKPUJCCQMW-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000594769742 439607248 /nfs/dbraw/zinc/60/72/48/439607248.db2.gz CZDHPKPUJCCQMW-CMPLNLGQSA-N 1 1 326.378 0.705 20 5 ECBDMO CNc1nccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600108819 439613826 /nfs/dbraw/zinc/61/38/26/439613826.db2.gz VPLMJWXWYZXTPT-UHFFFAOYSA-N 1 1 349.391 0.968 20 5 ECBDMO CC[N@H+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C[C@@H]1C ZINC000611084778 439671998 /nfs/dbraw/zinc/67/19/98/439671998.db2.gz SHSNMLVCLALCQH-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000610681434 439638251 /nfs/dbraw/zinc/63/82/51/439638251.db2.gz WTYUSNMCORKRCQ-UHFFFAOYSA-N 1 1 335.364 0.144 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000611106889 439672790 /nfs/dbraw/zinc/67/27/90/439672790.db2.gz XDDVBNWNQLJYGT-MWLCHTKSSA-N 1 1 343.409 0.572 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000611515890 439703532 /nfs/dbraw/zinc/70/35/32/439703532.db2.gz JZWJOJDXPPNKAK-UHFFFAOYSA-N 1 1 339.396 0.442 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000600808687 439704008 /nfs/dbraw/zinc/70/40/08/439704008.db2.gz PDQAZPKTKLDHJG-ZDUSSCGKSA-N 1 1 334.376 0.966 20 5 ECBDMO C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572441 439706882 /nfs/dbraw/zinc/70/68/82/439706882.db2.gz ARWMPDDJICBGRY-RYUDHWBXSA-N 1 1 336.396 0.956 20 5 ECBDMO COc1ccc(OC[C@H](O)CN2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000573924084 439674074 /nfs/dbraw/zinc/67/40/74/439674074.db2.gz CESARLISUGRFTO-GFCCVEGCSA-N 1 1 325.365 0.591 20 5 ECBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000344724574 321161385 /nfs/dbraw/zinc/16/13/85/321161385.db2.gz TXVIDKPMGJKSAV-ZDUSSCGKSA-N 1 1 336.392 0.993 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000548313229 322154252 /nfs/dbraw/zinc/15/42/52/322154252.db2.gz UWINTNLDSGVLFN-LBPRGKRZSA-N 1 1 337.376 0.671 20 5 ECBDMO COc1ccc(CC(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000548313229 322154254 /nfs/dbraw/zinc/15/42/54/322154254.db2.gz UWINTNLDSGVLFN-LBPRGKRZSA-N 1 1 337.376 0.671 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383068 322272178 /nfs/dbraw/zinc/27/21/78/322272178.db2.gz QDTHGGWMGUITQL-SWLSCSKDSA-N 1 1 337.376 0.907 20 5 ECBDMO C[NH+]1CCN(C(=O)Cc2noc(-c3ccc([N+](=O)[O-])cn3)n2)CC1 ZINC000568470466 322628902 /nfs/dbraw/zinc/62/89/02/322628902.db2.gz FCOOPALMJDYZIE-UHFFFAOYSA-N 1 1 332.320 0.356 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000184341759 528552857 /nfs/dbraw/zinc/55/28/57/528552857.db2.gz SWARPXGYCYBHQY-UHFFFAOYSA-N 1 1 349.384 0.635 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251990 546310840 /nfs/dbraw/zinc/31/08/40/546310840.db2.gz DFWWARKEIIPWHZ-NWDGAFQWSA-N 1 1 325.344 0.744 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163895 578138695 /nfs/dbraw/zinc/13/86/95/578138695.db2.gz OQPBYZYLYHBJBR-MNOVXSKESA-N 1 1 349.343 0.917 20 5 ECBDMO COCC[N@H+]1CC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737006367 578472601 /nfs/dbraw/zinc/47/26/01/578472601.db2.gz HAQWTWCDIUKTPH-NSHDSACASA-N 1 1 333.352 0.908 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592129 579285493 /nfs/dbraw/zinc/28/54/93/579285493.db2.gz TUAPXUFYVIICMQ-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592129 579285494 /nfs/dbraw/zinc/28/54/94/579285494.db2.gz TUAPXUFYVIICMQ-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000761078512 579521109 /nfs/dbraw/zinc/52/11/09/579521109.db2.gz PBGFEYLNEJDXFC-JTQLQIEISA-N 1 1 336.348 0.898 20 5 ECBDMO CCNC(=O)C[N@@H+]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000744164662 579806795 /nfs/dbraw/zinc/80/67/95/579806795.db2.gz AXMGYWHXZKJFCX-UHFFFAOYSA-N 1 1 346.391 0.891 20 5 ECBDMO CCNC(=O)C[N@H+]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000744164662 579806797 /nfs/dbraw/zinc/80/67/97/579806797.db2.gz AXMGYWHXZKJFCX-UHFFFAOYSA-N 1 1 346.391 0.891 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000836847996 588935989 /nfs/dbraw/zinc/93/59/89/588935989.db2.gz HNOKIRATCMEESO-OCCSQVGLSA-N 1 1 333.344 0.949 20 5 ECBDMO CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+](C)CC1 ZINC000888995135 586054232 /nfs/dbraw/zinc/05/42/32/586054232.db2.gz AYYUHOKQDYAFLZ-UHFFFAOYSA-N 1 1 346.391 0.791 20 5 ECBDMO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000895770772 586204055 /nfs/dbraw/zinc/20/40/55/586204055.db2.gz QZYNXYATMHIIPN-JTQLQIEISA-N 1 1 328.394 0.961 20 5 ECBDMO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000895770772 586204057 /nfs/dbraw/zinc/20/40/57/586204057.db2.gz QZYNXYATMHIIPN-JTQLQIEISA-N 1 1 328.394 0.961 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@H+](C)C[C@@H]2CO)c2ccccc21 ZINC000894646366 586405023 /nfs/dbraw/zinc/40/50/23/586405023.db2.gz BYNQUPGAOOSMDK-LLVKDONJSA-N 1 1 332.360 0.559 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2CO)c2ccccc21 ZINC000894646366 586405024 /nfs/dbraw/zinc/40/50/24/586405024.db2.gz BYNQUPGAOOSMDK-LLVKDONJSA-N 1 1 332.360 0.559 20 5 ECBDMO C[N@H+]1CCO[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]21 ZINC000821628537 587608848 /nfs/dbraw/zinc/60/88/48/587608848.db2.gz KQCDGCBJSGRLJV-OLZOCXBDSA-N 1 1 331.336 0.294 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821691577 587623196 /nfs/dbraw/zinc/62/31/96/587623196.db2.gz ZRTNBAXNVXOLNH-SNVBAGLBSA-N 1 1 348.367 0.693 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000858629335 589762190 /nfs/dbraw/zinc/76/21/90/589762190.db2.gz PKWRWXOYDXJUJK-VIFPVBQESA-N 1 1 349.796 0.823 20 5 ECBDMO C[N@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322678 590003982 /nfs/dbraw/zinc/00/39/82/590003982.db2.gz LOXHPZHSHMQWHP-NVBFEUDRSA-N 1 1 348.359 0.685 20 5 ECBDMO C[N@@H+](CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000863322678 590003985 /nfs/dbraw/zinc/00/39/85/590003985.db2.gz LOXHPZHSHMQWHP-NVBFEUDRSA-N 1 1 348.359 0.685 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879939833 590353313 /nfs/dbraw/zinc/35/33/13/590353313.db2.gz IDAHXSLSISNBBS-NEPJUHHUSA-N 1 1 328.394 0.466 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879939833 590353316 /nfs/dbraw/zinc/35/33/16/590353316.db2.gz IDAHXSLSISNBBS-NEPJUHHUSA-N 1 1 328.394 0.466 20 5 ECBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880303895 590382557 /nfs/dbraw/zinc/38/25/57/590382557.db2.gz SHQLJMPCWIUWIK-QWRGUYRKSA-N 1 1 338.286 0.805 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000879002534 590557323 /nfs/dbraw/zinc/55/73/23/590557323.db2.gz KCCFMHOTQSMFRC-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000879002534 590557325 /nfs/dbraw/zinc/55/73/25/590557325.db2.gz KCCFMHOTQSMFRC-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000879355279 590581443 /nfs/dbraw/zinc/58/14/43/590581443.db2.gz BJGHQXGKJXEQAU-HNNXBMFYSA-N 1 1 336.392 0.334 20 5 ECBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175415 590800264 /nfs/dbraw/zinc/80/02/64/590800264.db2.gz ZWBGPCCSUIFDDE-GXTWGEPZSA-N 1 1 325.365 0.836 20 5 ECBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886175415 590800266 /nfs/dbraw/zinc/80/02/66/590800266.db2.gz ZWBGPCCSUIFDDE-GXTWGEPZSA-N 1 1 325.365 0.836 20 5 ECBDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000925334152 611470954 /nfs/dbraw/zinc/47/09/54/611470954.db2.gz AONHDPALJHRBLU-OLZOCXBDSA-N 1 1 348.407 0.914 20 5 ECBDMO N=c1cc(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001167358656 734002590 /nfs/dbraw/zinc/00/25/90/734002590.db2.gz ZARRVCJWZMHAHE-UHFFFAOYSA-N 1 1 325.126 0.876 20 5 ECBDMO Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001025775756 739944453 /nfs/dbraw/zinc/94/44/53/739944453.db2.gz MFROHAUMYGGFCQ-DIACKHNESA-N 1 1 335.364 0.022 20 5 ECBDMO Cc1noc(CCC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001025775756 739944458 /nfs/dbraw/zinc/94/44/58/739944458.db2.gz MFROHAUMYGGFCQ-DIACKHNESA-N 1 1 335.364 0.022 20 5 ECBDMO Cc1noc(CCC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001025775756 739944463 /nfs/dbraw/zinc/94/44/63/739944463.db2.gz MFROHAUMYGGFCQ-DIACKHNESA-N 1 1 335.364 0.022 20 5 ECBDMO Cc1noc(CCC[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001000675934 745689571 /nfs/dbraw/zinc/68/95/71/745689571.db2.gz ZBNPRIGZTYJVPC-ZIAGYGMSSA-N 1 1 349.391 0.724 20 5 ECBDMO Cc1noc(CCC[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000675934 745689576 /nfs/dbraw/zinc/68/95/76/745689576.db2.gz ZBNPRIGZTYJVPC-ZIAGYGMSSA-N 1 1 349.391 0.724 20 5 ECBDMO Cc1noc(CCC[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001000675934 745689578 /nfs/dbraw/zinc/68/95/78/745689578.db2.gz ZBNPRIGZTYJVPC-ZIAGYGMSSA-N 1 1 349.391 0.724 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2cnon2)CC1 ZINC000985710836 748924739 /nfs/dbraw/zinc/92/47/39/748924739.db2.gz IGYSHSHLNHWBLQ-UHFFFAOYSA-N 1 1 349.351 0.448 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2cnon2)CC1 ZINC000985710836 748924742 /nfs/dbraw/zinc/92/47/42/748924742.db2.gz IGYSHSHLNHWBLQ-UHFFFAOYSA-N 1 1 349.351 0.448 20 5 ECBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001212108257 754030114 /nfs/dbraw/zinc/03/01/14/754030114.db2.gz TVRMGSSEXCTENJ-JTQLQIEISA-N 1 1 331.398 0.433 20 5 ECBDMO CC[N@H+]1CCCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001212108257 754030120 /nfs/dbraw/zinc/03/01/20/754030120.db2.gz TVRMGSSEXCTENJ-JTQLQIEISA-N 1 1 331.398 0.433 20 5 ECBDMO O=C(Cn1cncn1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989619108 754195567 /nfs/dbraw/zinc/19/55/67/754195567.db2.gz ALEUWRWYPZTKRS-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(Cn1cncn1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000989619108 754195572 /nfs/dbraw/zinc/19/55/72/754195572.db2.gz ALEUWRWYPZTKRS-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO COc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126942636 756903643 /nfs/dbraw/zinc/90/36/43/756903643.db2.gz CSURVRDWPWQHGM-CHWSQXEVSA-N 1 1 336.348 0.005 20 5 ECBDMO O=C(NCC[NH2+]CCCOc1ccc(F)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126943958 756920199 /nfs/dbraw/zinc/92/01/99/756920199.db2.gz XGLBNZLZBIJKHF-ZIAGYGMSSA-N 1 1 325.340 0.966 20 5 ECBDMO Cc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814260 757080891 /nfs/dbraw/zinc/08/08/91/757080891.db2.gz BQAFJYPDOQGZKZ-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1cncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814260 757080897 /nfs/dbraw/zinc/08/08/97/757080897.db2.gz BQAFJYPDOQGZKZ-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1cncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c1 ZINC001048814260 757080900 /nfs/dbraw/zinc/08/09/00/757080900.db2.gz BQAFJYPDOQGZKZ-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC000996429734 757658910 /nfs/dbraw/zinc/65/89/10/757658910.db2.gz VFKILIBRRGMJCB-VXGBXAGGSA-N 1 1 340.405 0.898 20 5 ECBDMO C/C=C(\C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575364 769162295 /nfs/dbraw/zinc/16/22/95/769162295.db2.gz UKBCJVIZAIJKCZ-TYPLZORXSA-N 1 1 338.408 0.315 20 5 ECBDMO C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC001266273135 835595759 /nfs/dbraw/zinc/59/57/59/835595759.db2.gz LIROUNNXLFEUTF-CHWSQXEVSA-N 1 1 335.360 0.671 20 5 ECBDMO C[N@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC001266273135 835595765 /nfs/dbraw/zinc/59/57/65/835595765.db2.gz LIROUNNXLFEUTF-CHWSQXEVSA-N 1 1 335.360 0.671 20 5 ECBDMO C[N@@H+](CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Cc1ccc2c(c1)OCCO2 ZINC001266273135 835595770 /nfs/dbraw/zinc/59/57/70/835595770.db2.gz LIROUNNXLFEUTF-CHWSQXEVSA-N 1 1 335.360 0.671 20 5 ECBDMO C[N@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1ccccc1[N+](=O)[O-] ZINC001266337507 835721869 /nfs/dbraw/zinc/72/18/69/835721869.db2.gz JFMZPCMHWDUNHW-UHFFFAOYSA-N 1 1 348.359 0.196 20 5 ECBDMO C[N@@H+](CCNC(=O)C1CC(=O)NC(=O)C1)Cc1ccccc1[N+](=O)[O-] ZINC001266337507 835721876 /nfs/dbraw/zinc/72/18/76/835721876.db2.gz JFMZPCMHWDUNHW-UHFFFAOYSA-N 1 1 348.359 0.196 20 5 ECBDMO C[N@@H+](CCNC(=O)CN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267191965 836952676 /nfs/dbraw/zinc/95/26/76/836952676.db2.gz BMOZBGMJOMRSGE-UHFFFAOYSA-N 1 1 336.392 0.475 20 5 ECBDMO O=C(Cn1cncn1)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001267337264 837222384 /nfs/dbraw/zinc/22/23/84/837222384.db2.gz NJOCRVBUIULSJE-UHFFFAOYSA-N 1 1 344.375 0.967 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000174289538 231168374 /nfs/dbraw/zinc/16/83/74/231168374.db2.gz VXEWMHFXWXYVBO-VHSXEESVSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000174289538 231168377 /nfs/dbraw/zinc/16/83/77/231168377.db2.gz VXEWMHFXWXYVBO-VHSXEESVSA-N 1 1 325.369 0.164 20 5 ECBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000183336522 529799368 /nfs/dbraw/zinc/79/93/68/529799368.db2.gz SRFOBRFXVKUCTM-TZMCWYRMSA-N 1 1 336.396 0.917 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@@H+](CC)C[C@@H]32)n1 ZINC000355376383 299245893 /nfs/dbraw/zinc/24/58/93/299245893.db2.gz XQFBIJIUTIZSNP-AAEUAGOBSA-N 1 1 337.380 0.746 20 5 ECBDMO COCCCNC(=O)C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355806248 299303739 /nfs/dbraw/zinc/30/37/39/299303739.db2.gz WDCJYYRETGTAJG-UHFFFAOYSA-N 1 1 339.396 0.693 20 5 ECBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000080091182 217278323 /nfs/dbraw/zinc/27/83/23/217278323.db2.gz HHAJMKCFPCJLFO-CQSZACIVSA-N 1 1 349.435 0.783 20 5 ECBDMO C[C@H]([C@H](C)NC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000264205324 246182394 /nfs/dbraw/zinc/18/23/94/246182394.db2.gz FCSCHFGDAKQYPL-NWDGAFQWSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000264245057 246235119 /nfs/dbraw/zinc/23/51/19/246235119.db2.gz GAOMFHJOXBATAH-NWDGAFQWSA-N 1 1 334.376 0.781 20 5 ECBDMO Cc1c(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264906296 247030823 /nfs/dbraw/zinc/03/08/23/247030823.db2.gz YSIKRAILXCCFJG-LBPRGKRZSA-N 1 1 349.391 0.204 20 5 ECBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCNC(=O)C1 ZINC000451556894 211395295 /nfs/dbraw/zinc/39/52/95/211395295.db2.gz DUGFNCDEKQESRT-AWEZNQCLSA-N 1 1 346.387 0.733 20 5 ECBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)N1CCNC(=O)C1 ZINC000451556894 211395300 /nfs/dbraw/zinc/39/53/00/211395300.db2.gz DUGFNCDEKQESRT-AWEZNQCLSA-N 1 1 346.387 0.733 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000268671994 252124628 /nfs/dbraw/zinc/12/46/28/252124628.db2.gz NOCGJUUJWLJAKH-UHFFFAOYSA-N 1 1 349.391 0.413 20 5 ECBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000413970896 208383412 /nfs/dbraw/zinc/38/34/12/208383412.db2.gz YNFXOFAFEYWWIA-UHFFFAOYSA-N 1 1 325.369 0.408 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000116890772 221007435 /nfs/dbraw/zinc/00/74/35/221007435.db2.gz ISGLCXAPGSWOQO-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000116890772 221007438 /nfs/dbraw/zinc/00/74/38/221007438.db2.gz ISGLCXAPGSWOQO-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[NH+]1CCOCC1 ZINC000298074789 296828734 /nfs/dbraw/zinc/82/87/34/296828734.db2.gz DNLRPUZOTWIYFC-ZDUSSCGKSA-N 1 1 338.364 0.782 20 5 ECBDMO C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123865085 222344013 /nfs/dbraw/zinc/34/40/13/222344013.db2.gz NUUHCWUSEIBIMY-IUODEOHRSA-N 1 1 347.375 0.701 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CC(N)=O)CC1 ZINC000171633975 227188679 /nfs/dbraw/zinc/18/86/79/227188679.db2.gz KNGKMEHXNMEEML-UHFFFAOYSA-N 1 1 349.391 0.335 20 5 ECBDMO Cc1cccc2[nH+]c(Cn3cc([N+](=O)[O-])cc(C(N)=O)c3=O)cn21 ZINC000031813295 263141039 /nfs/dbraw/zinc/14/10/39/263141039.db2.gz VNSAYBYXUQDIGO-UHFFFAOYSA-N 1 1 327.300 0.860 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270693084 263263190 /nfs/dbraw/zinc/26/31/90/263263190.db2.gz WOPMWXQKBOGYGZ-LLVKDONJSA-N 1 1 335.364 0.974 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000272847625 263381005 /nfs/dbraw/zinc/38/10/05/263381005.db2.gz HKVQHAZUHRUDFM-UHFFFAOYSA-N 1 1 347.331 0.863 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280466128 263933943 /nfs/dbraw/zinc/93/39/43/263933943.db2.gz OOTBGAMLXWYLEX-UHFFFAOYSA-N 1 1 348.359 0.920 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000280466128 263933945 /nfs/dbraw/zinc/93/39/45/263933945.db2.gz OOTBGAMLXWYLEX-UHFFFAOYSA-N 1 1 348.359 0.920 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285105574 264278996 /nfs/dbraw/zinc/27/89/96/264278996.db2.gz UKTUWUSOQWGHBI-CABCVRRESA-N 1 1 334.376 0.938 20 5 ECBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093474 264369700 /nfs/dbraw/zinc/36/97/00/264369700.db2.gz SXMPAEZYRGTOAN-UKRRQHHQSA-N 1 1 336.392 0.552 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433189793 280394670 /nfs/dbraw/zinc/39/46/70/280394670.db2.gz DQNPIMVBCWDUFQ-CYBMUJFWSA-N 1 1 327.406 0.946 20 5 ECBDMO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3n[nH]c(C)c3[N+](=O)[O-])C2)CC1 ZINC000332103956 297002129 /nfs/dbraw/zinc/00/21/29/297002129.db2.gz DUFBUIIUPXKMHL-GFCCVEGCSA-N 1 1 336.396 0.478 20 5 ECBDMO C[NH+](C)[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@H]1O ZINC000359953483 299914696 /nfs/dbraw/zinc/91/46/96/299914696.db2.gz XANIUBVSSVZULK-WDEREUQCSA-N 1 1 329.378 0.109 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000338881869 297305184 /nfs/dbraw/zinc/30/51/84/297305184.db2.gz VPASCMJTGPQDRH-UHFFFAOYSA-N 1 1 333.352 0.310 20 5 ECBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354519495 299063270 /nfs/dbraw/zinc/06/32/70/299063270.db2.gz FRFGBNJXVHEGOF-QWHCGFSZSA-N 1 1 345.359 0.683 20 5 ECBDMO O=c1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]c2ccnn21 ZINC000364343621 300347746 /nfs/dbraw/zinc/34/77/46/300347746.db2.gz XBSZHRJGSMEXIA-GFCCVEGCSA-N 1 1 343.347 0.964 20 5 ECBDMO O=c1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]c2ccnn21 ZINC000364343621 300347749 /nfs/dbraw/zinc/34/77/49/300347749.db2.gz XBSZHRJGSMEXIA-GFCCVEGCSA-N 1 1 343.347 0.964 20 5 ECBDMO CC[NH+]1CCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000069902945 435973206 /nfs/dbraw/zinc/97/32/06/435973206.db2.gz KSIUCAIFKHWZEK-UHFFFAOYSA-N 1 1 348.359 0.484 20 5 ECBDMO CC(C)NC(=O)C[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025299910 436150926 /nfs/dbraw/zinc/15/09/26/436150926.db2.gz VUQGGNPMFHGZCP-CYBMUJFWSA-N 1 1 325.365 0.791 20 5 ECBDMO CC(C)NC(=O)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025299910 436150928 /nfs/dbraw/zinc/15/09/28/436150928.db2.gz VUQGGNPMFHGZCP-CYBMUJFWSA-N 1 1 325.365 0.791 20 5 ECBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000372732763 301024452 /nfs/dbraw/zinc/02/44/52/301024452.db2.gz RNBFGBFNNQSIMX-JTQLQIEISA-N 1 1 340.355 0.845 20 5 ECBDMO COc1cc(C[N@@H+]2CCC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000375528353 301184328 /nfs/dbraw/zinc/18/43/28/301184328.db2.gz LPRVVVRDLORVND-HNNXBMFYSA-N 1 1 339.348 0.424 20 5 ECBDMO COc1cc(C[N@H+]2CCC[C@@](O)(C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000375528353 301184329 /nfs/dbraw/zinc/18/43/29/301184329.db2.gz LPRVVVRDLORVND-HNNXBMFYSA-N 1 1 339.348 0.424 20 5 ECBDMO COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041923123 436289489 /nfs/dbraw/zinc/28/94/89/436289489.db2.gz XPLVGPSUSMPIDL-UHFFFAOYSA-N 1 1 338.364 0.618 20 5 ECBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090517667 436432034 /nfs/dbraw/zinc/43/20/34/436432034.db2.gz YOFFWLBPRAALSV-AWEZNQCLSA-N 1 1 348.403 0.995 20 5 ECBDMO CC[C@H](O)C[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000106397639 436593626 /nfs/dbraw/zinc/59/36/26/436593626.db2.gz JDFMOQGZBWFRKI-ZDUSSCGKSA-N 1 1 339.396 0.442 20 5 ECBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000106396170 436593806 /nfs/dbraw/zinc/59/38/06/436593806.db2.gz ZRBRFGPYRDABHJ-LBPRGKRZSA-N 1 1 325.369 0.015 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058122479 436620639 /nfs/dbraw/zinc/62/06/39/436620639.db2.gz ZTFCSMWZNNGDQV-AWEZNQCLSA-N 1 1 344.375 0.967 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H](O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114470524 436641829 /nfs/dbraw/zinc/64/18/29/436641829.db2.gz WLGJEEVDTZIHJA-HNNXBMFYSA-N 1 1 334.376 0.310 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000273349882 436748559 /nfs/dbraw/zinc/74/85/59/436748559.db2.gz PBYSQOJXEIFPGW-UONOGXRCSA-N 1 1 340.376 0.808 20 5 ECBDMO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126685614 436789806 /nfs/dbraw/zinc/78/98/06/436789806.db2.gz YQHXILRHLQBCGW-MFKMUULPSA-N 1 1 339.396 0.634 20 5 ECBDMO Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126685614 436789809 /nfs/dbraw/zinc/78/98/09/436789809.db2.gz YQHXILRHLQBCGW-MFKMUULPSA-N 1 1 339.396 0.634 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000247324932 436792189 /nfs/dbraw/zinc/79/21/89/436792189.db2.gz WLKXVEGLVRZANR-JHJVBQTASA-N 1 1 328.394 0.359 20 5 ECBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352845 436793220 /nfs/dbraw/zinc/79/32/20/436793220.db2.gz GVEBHSPSVGEKNH-TZMCWYRMSA-N 1 1 339.396 0.390 20 5 ECBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000274640913 436852924 /nfs/dbraw/zinc/85/29/24/436852924.db2.gz VHBCNEYMVCEQQN-GFCCVEGCSA-N 1 1 335.408 0.933 20 5 ECBDMO NS(=O)(=O)c1cc(NCC[N@@H+]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000280326322 436882419 /nfs/dbraw/zinc/88/24/19/436882419.db2.gz UHAXGFLLAKXKNG-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000274896035 436888823 /nfs/dbraw/zinc/88/88/23/436888823.db2.gz NPQABJIVZZRPTG-ZDUSSCGKSA-N 1 1 338.364 0.782 20 5 ECBDMO CCOC(=O)[C@@H](CC)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263521 437080003 /nfs/dbraw/zinc/08/00/03/437080003.db2.gz PESHMBPOWIJYGY-ZIAGYGMSSA-N 1 1 340.380 0.958 20 5 ECBDMO CCOC(=O)[C@@H](CC)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000276263521 437080007 /nfs/dbraw/zinc/08/00/07/437080007.db2.gz PESHMBPOWIJYGY-ZIAGYGMSSA-N 1 1 340.380 0.958 20 5 ECBDMO O=C([C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000174814572 437087869 /nfs/dbraw/zinc/08/78/69/437087869.db2.gz AFUMBQGOXYJXIV-CYBMUJFWSA-N 1 1 337.380 0.362 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])n1 ZINC000331715479 437148993 /nfs/dbraw/zinc/14/89/93/437148993.db2.gz HREHTOSAGKAFQY-QWRGUYRKSA-N 1 1 343.409 0.716 20 5 ECBDMO COC(=O)c1cnc(NCCC[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000276534166 437123252 /nfs/dbraw/zinc/12/32/52/437123252.db2.gz IANIUXPQJDFTFC-UHFFFAOYSA-N 1 1 337.380 0.826 20 5 ECBDMO O=C(C[NH+]1[C@@H](CO)CC[C@@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000287454702 437191221 /nfs/dbraw/zinc/19/12/21/437191221.db2.gz QVCUSSQPFLMXSL-ZIAGYGMSSA-N 1 1 335.360 0.302 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000277435841 437218969 /nfs/dbraw/zinc/21/89/69/437218969.db2.gz GQVVHJHJHWLQRA-CYBMUJFWSA-N 1 1 339.396 0.799 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000326754912 437235929 /nfs/dbraw/zinc/23/59/29/437235929.db2.gz MGASNPNLSYGEBC-LLVKDONJSA-N 1 1 337.332 0.130 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000179399133 437262693 /nfs/dbraw/zinc/26/26/93/437262693.db2.gz CVQLMNUYPSDJBF-NSHDSACASA-N 1 1 325.369 0.165 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904466 437263510 /nfs/dbraw/zinc/26/35/10/437263510.db2.gz JHXTUIPZKYQRIP-QWHCGFSZSA-N 1 1 339.396 0.654 20 5 ECBDMO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278347884 437306193 /nfs/dbraw/zinc/30/61/93/437306193.db2.gz AQORSSKKTWLPGJ-JTQLQIEISA-N 1 1 325.369 0.857 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278819260 437345796 /nfs/dbraw/zinc/34/57/96/437345796.db2.gz HHYUJVJLZJZIDQ-QGZVFWFLSA-N 1 1 344.371 0.696 20 5 ECBDMO O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000278819260 437345802 /nfs/dbraw/zinc/34/58/02/437345802.db2.gz HHYUJVJLZJZIDQ-QGZVFWFLSA-N 1 1 344.371 0.696 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000184784247 437411616 /nfs/dbraw/zinc/41/16/16/437411616.db2.gz ZTVMVRIHJDQKPB-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO COCCOCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289071735 437379374 /nfs/dbraw/zinc/37/93/74/437379374.db2.gz SDFMGHIUZALJKA-CYBMUJFWSA-N 1 1 328.365 0.929 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289221181 437389643 /nfs/dbraw/zinc/38/96/43/437389643.db2.gz LEOJDRKUVSJDOY-GFCCVEGCSA-N 1 1 344.375 0.591 20 5 ECBDMO CC[N@@H+](C)CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000186698897 437482633 /nfs/dbraw/zinc/48/26/33/437482633.db2.gz RCPVDVZFUWKMNA-UHFFFAOYSA-N 1 1 335.357 0.973 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000186755630 437483596 /nfs/dbraw/zinc/48/35/96/437483596.db2.gz IAAPZEVCPUWEGF-GFCCVEGCSA-N 1 1 337.380 0.659 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000330496161 437530688 /nfs/dbraw/zinc/53/06/88/437530688.db2.gz WDZGBMRMHOHJHW-UHFFFAOYSA-N 1 1 325.369 0.545 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000330496161 437530692 /nfs/dbraw/zinc/53/06/92/437530692.db2.gz WDZGBMRMHOHJHW-UHFFFAOYSA-N 1 1 325.369 0.545 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000330496161 437530694 /nfs/dbraw/zinc/53/06/94/437530694.db2.gz WDZGBMRMHOHJHW-UHFFFAOYSA-N 1 1 325.369 0.545 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000188690827 437562511 /nfs/dbraw/zinc/56/25/11/437562511.db2.gz YGHSZYISZVCLRP-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000188690827 437562515 /nfs/dbraw/zinc/56/25/15/437562515.db2.gz YGHSZYISZVCLRP-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000340313534 437625202 /nfs/dbraw/zinc/62/52/02/437625202.db2.gz PKTQNCMYQAKCMR-UHFFFAOYSA-N 1 1 339.396 0.487 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000343716649 437637151 /nfs/dbraw/zinc/63/71/51/437637151.db2.gz BLLVNIMXJOFBOX-STQMWFEESA-N 1 1 328.390 0.744 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)n1 ZINC000191898168 437656881 /nfs/dbraw/zinc/65/68/81/437656881.db2.gz XUHDWAKQGVNTKP-LLVKDONJSA-N 1 1 339.396 0.728 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)n1 ZINC000191898168 437656889 /nfs/dbraw/zinc/65/68/89/437656889.db2.gz XUHDWAKQGVNTKP-LLVKDONJSA-N 1 1 339.396 0.728 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C2)C1 ZINC000292278570 437675300 /nfs/dbraw/zinc/67/53/00/437675300.db2.gz QRUCVVNWDSFUHN-KRWDZBQOSA-N 1 1 346.387 0.879 20 5 ECBDMO Cc1cc(=O)n(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000331049960 437678012 /nfs/dbraw/zinc/67/80/12/437678012.db2.gz XMJGUWQVUPFMGP-RWMBFGLXSA-N 1 1 325.365 0.535 20 5 ECBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000331164699 437704266 /nfs/dbraw/zinc/70/42/66/437704266.db2.gz DNMALANLZCUKBJ-LLVKDONJSA-N 1 1 325.369 0.340 20 5 ECBDMO Nc1nc(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000355725103 437727452 /nfs/dbraw/zinc/72/74/52/437727452.db2.gz WSXXXMFAMKKVHA-MRXNPFEDSA-N 1 1 344.375 1.016 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c1 ZINC000331260824 437729007 /nfs/dbraw/zinc/72/90/07/437729007.db2.gz BKXCOGITODCVJP-GHMZBOCLSA-N 1 1 338.286 0.541 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002704 437867880 /nfs/dbraw/zinc/86/78/80/437867880.db2.gz BZGIGQXCPPPOCS-KBPBESRZSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002704 437867885 /nfs/dbraw/zinc/86/78/85/437867885.db2.gz BZGIGQXCPPPOCS-KBPBESRZSA-N 1 1 348.359 0.597 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000416287570 437903515 /nfs/dbraw/zinc/90/35/15/437903515.db2.gz BZUGMEPMMPRPSB-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000416287570 437903521 /nfs/dbraw/zinc/90/35/21/437903521.db2.gz BZUGMEPMMPRPSB-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)C1 ZINC000365670552 437945869 /nfs/dbraw/zinc/94/58/69/437945869.db2.gz UHZIXQRAMRSVEP-ZDUSSCGKSA-N 1 1 349.391 0.547 20 5 ECBDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347794170 437963384 /nfs/dbraw/zinc/96/33/84/437963384.db2.gz YVUFPDAOPJDOFL-UHFFFAOYSA-N 1 1 336.348 0.369 20 5 ECBDMO NC(=O)c1ccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000372115065 438035870 /nfs/dbraw/zinc/03/58/70/438035870.db2.gz CRWVLDXWASCNPW-CQSZACIVSA-N 1 1 334.376 0.600 20 5 ECBDMO CC(C)OC[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166596 438042824 /nfs/dbraw/zinc/04/28/24/438042824.db2.gz JEWSLLPOQVTIIZ-UONOGXRCSA-N 1 1 328.369 0.278 20 5 ECBDMO CC(C)OC[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166596 438042826 /nfs/dbraw/zinc/04/28/26/438042826.db2.gz JEWSLLPOQVTIIZ-UONOGXRCSA-N 1 1 328.369 0.278 20 5 ECBDMO NC(=O)c1ccnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000357489739 438000028 /nfs/dbraw/zinc/00/00/28/438000028.db2.gz RMKNTYRHTYVUMU-LLVKDONJSA-N 1 1 335.364 0.247 20 5 ECBDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372713538 438108384 /nfs/dbraw/zinc/10/83/84/438108384.db2.gz ISRRASUZTLRPDS-UHFFFAOYSA-N 1 1 332.364 0.968 20 5 ECBDMO O=C(c1ccc[nH]1)N1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372713538 438108385 /nfs/dbraw/zinc/10/83/85/438108385.db2.gz ISRRASUZTLRPDS-UHFFFAOYSA-N 1 1 332.364 0.968 20 5 ECBDMO C[N@H+]1C[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000351486279 438268304 /nfs/dbraw/zinc/26/83/04/438268304.db2.gz MSSZVDZHYNZIEB-CHWSQXEVSA-N 1 1 330.348 0.400 20 5 ECBDMO NC(=O)C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000367994436 438276088 /nfs/dbraw/zinc/27/60/88/438276088.db2.gz RPHSKDWGYBTSHA-LLVKDONJSA-N 1 1 332.360 0.681 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377654977 438318772 /nfs/dbraw/zinc/31/87/72/438318772.db2.gz PJZWNZAKBFNHFZ-CMPLNLGQSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377654977 438318775 /nfs/dbraw/zinc/31/87/75/438318775.db2.gz PJZWNZAKBFNHFZ-CMPLNLGQSA-N 1 1 348.359 0.610 20 5 ECBDMO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000377673265 438321602 /nfs/dbraw/zinc/32/16/02/438321602.db2.gz XBRXBNXPJYOWAW-KGLIPLIRSA-N 1 1 333.392 0.457 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@H]12 ZINC000368635338 438356969 /nfs/dbraw/zinc/35/69/69/438356969.db2.gz FQHWOQIHNXEHES-QWHCGFSZSA-N 1 1 347.327 0.556 20 5 ECBDMO O=C(CC[N@H+]1CCN2CCOC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368816825 438382892 /nfs/dbraw/zinc/38/28/92/438382892.db2.gz LCEWARPIRQNSKC-ZDUSSCGKSA-N 1 1 334.376 0.940 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000368971246 438406048 /nfs/dbraw/zinc/40/60/48/438406048.db2.gz BAPXICPCKGDLRG-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000352361645 438413143 /nfs/dbraw/zinc/41/31/43/438413143.db2.gz LAOOVOIMYIBJNT-KGLIPLIRSA-N 1 1 326.353 0.034 20 5 ECBDMO C[N@@H+](CCCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421019442 438462882 /nfs/dbraw/zinc/46/28/82/438462882.db2.gz NFROANFGVIEQNC-UHFFFAOYSA-N 1 1 331.394 0.577 20 5 ECBDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369994519 438539059 /nfs/dbraw/zinc/53/90/59/438539059.db2.gz HQLOEZSEUGZGFI-UHFFFAOYSA-N 1 1 332.364 0.968 20 5 ECBDMO O=C(c1ccc[nH]1)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369994519 438539063 /nfs/dbraw/zinc/53/90/63/438539063.db2.gz HQLOEZSEUGZGFI-UHFFFAOYSA-N 1 1 332.364 0.968 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452789840 438672579 /nfs/dbraw/zinc/67/25/79/438672579.db2.gz BPPUGQHGSWMSGN-ZDUSSCGKSA-N 1 1 336.392 0.970 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860510 438844612 /nfs/dbraw/zinc/84/46/12/438844612.db2.gz GQLATMNAEPZCRC-KBPBESRZSA-N 1 1 335.360 0.641 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000595735561 438851388 /nfs/dbraw/zinc/85/13/88/438851388.db2.gz AZKSEXXZACVKHY-WCQYABFASA-N 1 1 332.360 0.794 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590279224 438906575 /nfs/dbraw/zinc/90/65/75/438906575.db2.gz ANJXTRRGJPZLPF-MFKMUULPSA-N 1 1 348.359 0.704 20 5 ECBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595850812 438871424 /nfs/dbraw/zinc/87/14/24/438871424.db2.gz POUKIECFXJKBEJ-JSGCOSHPSA-N 1 1 339.396 0.389 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](CCO)[C@H](C)C2)c1 ZINC000589514674 438876122 /nfs/dbraw/zinc/87/61/22/438876122.db2.gz DVYUOHPJJZOTKY-GFCCVEGCSA-N 1 1 337.376 0.880 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590338107 438912473 /nfs/dbraw/zinc/91/24/73/438912473.db2.gz VFYSZTBVYAAQRY-HNNXBMFYSA-N 1 1 339.396 0.970 20 5 ECBDMO NS(=O)(=O)c1c(N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000596090891 438925052 /nfs/dbraw/zinc/92/50/52/438925052.db2.gz RQGBERCGSZINBV-SECBINFHSA-N 1 1 326.378 0.891 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3C[C@H]4CC[N@@H+](C)[C@H]4C3)cc2n(C)c1=O ZINC000590720092 438952087 /nfs/dbraw/zinc/95/20/87/438952087.db2.gz CHXMJEQGLWKKTD-BMIGLBTASA-N 1 1 331.376 0.926 20 5 ECBDMO C[N@@H+](C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000578803980 438956482 /nfs/dbraw/zinc/95/64/82/438956482.db2.gz FBZZTVJUIFGVTG-OAHLLOKOSA-N 1 1 335.408 0.567 20 5 ECBDMO NC(=O)c1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538419 438974419 /nfs/dbraw/zinc/97/44/19/438974419.db2.gz KOTUPBKZKFZNST-ZDUSSCGKSA-N 1 1 334.376 0.729 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596620313 438982172 /nfs/dbraw/zinc/98/21/72/438982172.db2.gz DLPKHTUAGHJGRO-YPMHNXCESA-N 1 1 336.348 0.152 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596620313 438982178 /nfs/dbraw/zinc/98/21/78/438982178.db2.gz DLPKHTUAGHJGRO-YPMHNXCESA-N 1 1 336.348 0.152 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000591328944 439003925 /nfs/dbraw/zinc/00/39/25/439003925.db2.gz JNFPZRJAMCYATO-JTQLQIEISA-N 1 1 329.378 0.833 20 5 ECBDMO Nc1c(NC(=O)N2CC[NH+](CCO)CC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597104240 439042849 /nfs/dbraw/zinc/04/28/49/439042849.db2.gz QRWZYRQLFYFAOD-UHFFFAOYSA-N 1 1 343.771 0.972 20 5 ECBDMO C[N@H+]1C[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@H](c2ccccc2)C1 ZINC000591987492 439126085 /nfs/dbraw/zinc/12/60/85/439126085.db2.gz YEZGMJHHEPOCCK-OLZOCXBDSA-N 1 1 328.376 1.146 20 5 ECBDMO CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000568043458 439208195 /nfs/dbraw/zinc/20/81/95/439208195.db2.gz JSCKUYCRALIOJB-UHFFFAOYSA-N 1 1 347.379 0.562 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000598539161 439276695 /nfs/dbraw/zinc/27/66/95/439276695.db2.gz GLMTUVKPIIRDFE-LLVKDONJSA-N 1 1 325.369 0.809 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569235240 439315380 /nfs/dbraw/zinc/31/53/80/439315380.db2.gz RXBXPQVWVLZOJR-OAHLLOKOSA-N 1 1 339.392 0.728 20 5 ECBDMO COC(=O)c1ccnc(N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000598596513 439285049 /nfs/dbraw/zinc/28/50/49/439285049.db2.gz KMLRIEXDZXYYCC-UHFFFAOYSA-N 1 1 346.347 0.837 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593544117 439398528 /nfs/dbraw/zinc/39/85/28/439398528.db2.gz QKJSGYVMEDWEBS-LLVKDONJSA-N 1 1 344.393 0.379 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593544117 439398531 /nfs/dbraw/zinc/39/85/31/439398531.db2.gz QKJSGYVMEDWEBS-LLVKDONJSA-N 1 1 344.393 0.379 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000599260772 439405134 /nfs/dbraw/zinc/40/51/34/439405134.db2.gz FFLUZIRKAOFPTJ-MNOVXSKESA-N 1 1 343.409 0.433 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000593597459 439417921 /nfs/dbraw/zinc/41/79/21/439417921.db2.gz IXNWUTZHEHQHEU-ZDUSSCGKSA-N 1 1 326.378 0.706 20 5 ECBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000594017259 439506275 /nfs/dbraw/zinc/50/62/75/439506275.db2.gz ADXOLQYSJHQATN-SNVBAGLBSA-N 1 1 326.275 0.663 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000594017259 439506279 /nfs/dbraw/zinc/50/62/79/439506279.db2.gz ADXOLQYSJHQATN-SNVBAGLBSA-N 1 1 326.275 0.663 20 5 ECBDMO COC(=O)[C@@]1(OC)CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599562608 439506715 /nfs/dbraw/zinc/50/67/15/439506715.db2.gz GRQXACIRGKEKPY-CQSZACIVSA-N 1 1 325.321 0.020 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594023513 439509002 /nfs/dbraw/zinc/50/90/02/439509002.db2.gz MMGNKDCOEUOSAJ-ZNMIVQPWSA-N 1 1 337.376 0.085 20 5 ECBDMO CNc1nc(C(=O)N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000594345095 439544404 /nfs/dbraw/zinc/54/44/04/439544404.db2.gz OURBYEDVMLOHNU-UHFFFAOYSA-N 1 1 331.336 0.717 20 5 ECBDMO C[N@H+]1CCCN(C(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)CC1 ZINC000609050249 439550762 /nfs/dbraw/zinc/55/07/62/439550762.db2.gz YQLGBCWXHFSBRT-UHFFFAOYSA-N 1 1 348.359 0.484 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000609171025 439553685 /nfs/dbraw/zinc/55/36/85/439553685.db2.gz IMTMYLPLIQZGGY-NSHDSACASA-N 1 1 337.380 0.251 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594392388 439554187 /nfs/dbraw/zinc/55/41/87/439554187.db2.gz GGVHVZILDHAOJX-UONOGXRCSA-N 1 1 349.387 0.950 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000609450282 439569805 /nfs/dbraw/zinc/56/98/05/439569805.db2.gz DSDQLDMWOYOLSZ-SNVBAGLBSA-N 1 1 328.394 0.643 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000609450282 439569808 /nfs/dbraw/zinc/56/98/08/439569808.db2.gz DSDQLDMWOYOLSZ-SNVBAGLBSA-N 1 1 328.394 0.643 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](CCCF)CC1 ZINC000600072271 439608371 /nfs/dbraw/zinc/60/83/71/439608371.db2.gz QFHVYERECWNGKM-UHFFFAOYSA-N 1 1 326.328 0.260 20 5 ECBDMO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000586779742 439661590 /nfs/dbraw/zinc/66/15/90/439661590.db2.gz PZJUEHYOTLBNRH-LBPRGKRZSA-N 1 1 336.396 0.558 20 5 ECBDMO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000586779742 439661593 /nfs/dbraw/zinc/66/15/93/439661593.db2.gz PZJUEHYOTLBNRH-LBPRGKRZSA-N 1 1 336.396 0.558 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600535625 439674880 /nfs/dbraw/zinc/67/48/80/439674880.db2.gz PPYMMKWBIIUPEF-CQSZACIVSA-N 1 1 345.359 0.577 20 5 ECBDMO COc1cc(OCC(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600531159 439675099 /nfs/dbraw/zinc/67/50/99/439675099.db2.gz DTGDHRWRNORUDO-LLVKDONJSA-N 1 1 339.348 0.165 20 5 ECBDMO CCn1nncc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600742581 439697626 /nfs/dbraw/zinc/69/76/26/439697626.db2.gz FCVAJWVFXXQSST-UHFFFAOYSA-N 1 1 339.377 0.770 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000595505062 439735441 /nfs/dbraw/zinc/73/54/41/439735441.db2.gz LOULKCWDECADDF-GFCCVEGCSA-N 1 1 332.360 0.489 20 5 ECBDMO C[NH+]1CCN(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000275834240 320566249 /nfs/dbraw/zinc/56/62/49/320566249.db2.gz CROSYHLUWBCYMT-UHFFFAOYSA-N 1 1 346.384 0.260 20 5 ECBDMO Cc1cccc(N2CCC(NC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)[nH+]1 ZINC000342184244 321078777 /nfs/dbraw/zinc/07/87/77/321078777.db2.gz IQOGCCWCHJBMNZ-UHFFFAOYSA-N 1 1 345.363 0.675 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000342365825 321086969 /nfs/dbraw/zinc/08/69/69/321086969.db2.gz VTSYZLFPRXXSTI-WCQYABFASA-N 1 1 338.364 0.338 20 5 ECBDMO C[C@@H](c1ccccc1)[N@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000342605267 321095536 /nfs/dbraw/zinc/09/55/36/321095536.db2.gz NUUHCWUSEIBIMY-SWLSCSKDSA-N 1 1 347.375 0.701 20 5 ECBDMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672794 321196275 /nfs/dbraw/zinc/19/62/75/321196275.db2.gz SIYYAARKMPHLBS-VHSXEESVSA-N 1 1 336.352 0.320 20 5 ECBDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672794 321196277 /nfs/dbraw/zinc/19/62/77/321196277.db2.gz SIYYAARKMPHLBS-VHSXEESVSA-N 1 1 336.352 0.320 20 5 ECBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164745 321217262 /nfs/dbraw/zinc/21/72/62/321217262.db2.gz QAWIUHAFRMWNSM-YDHLFZDLSA-N 1 1 348.403 0.945 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2NC)CC1 ZINC000570970133 322706090 /nfs/dbraw/zinc/70/60/90/322706090.db2.gz PJADEMDYUHRRAB-UHFFFAOYSA-N 1 1 349.391 0.530 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nnc3n2CCCCC3)c1 ZINC000575248577 322793449 /nfs/dbraw/zinc/79/34/49/322793449.db2.gz LWFLSNFZBYHQRI-GFCCVEGCSA-N 1 1 335.368 0.260 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186939023 534618080 /nfs/dbraw/zinc/61/80/80/534618080.db2.gz BNMAEPNITZMAPG-LLVKDONJSA-N 1 1 339.396 0.403 20 5 ECBDMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155113415 528063494 /nfs/dbraw/zinc/06/34/94/528063494.db2.gz JQKQVJWRLITIBM-AAEUAGOBSA-N 1 1 326.353 0.427 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000736145456 578410921 /nfs/dbraw/zinc/41/09/21/578410921.db2.gz CAVPGHBIGUOLSE-GHMZBOCLSA-N 1 1 347.379 0.666 20 5 ECBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794785012 578600021 /nfs/dbraw/zinc/60/00/21/578600021.db2.gz JAGPDBDTPMREGE-UONOGXRCSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000794785012 578600023 /nfs/dbraw/zinc/60/00/23/578600023.db2.gz JAGPDBDTPMREGE-UONOGXRCSA-N 1 1 343.405 0.594 20 5 ECBDMO COc1c(C(=O)NC2CC[NH+](CC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000792915725 578917445 /nfs/dbraw/zinc/91/74/45/578917445.db2.gz MBHNNBUJLNGDQU-UHFFFAOYSA-N 1 1 336.348 0.283 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000768833987 579132904 /nfs/dbraw/zinc/13/29/04/579132904.db2.gz JFNRIKKVYVOUGQ-UWVGGRQHSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cs1 ZINC000768833987 579132907 /nfs/dbraw/zinc/13/29/07/579132907.db2.gz JFNRIKKVYVOUGQ-UWVGGRQHSA-N 1 1 347.418 0.798 20 5 ECBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@@H+]1CCO ZINC000777834336 579303313 /nfs/dbraw/zinc/30/33/13/579303313.db2.gz ZIEWDZQHYBFSPU-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)CC[N@H+]1CCO ZINC000777834336 579303315 /nfs/dbraw/zinc/30/33/15/579303315.db2.gz ZIEWDZQHYBFSPU-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[N@H+]1C ZINC000761078518 579521078 /nfs/dbraw/zinc/52/10/78/579521078.db2.gz PBGFEYLNEJDXFC-SNVBAGLBSA-N 1 1 336.348 0.898 20 5 ECBDMO CN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888982233 586245922 /nfs/dbraw/zinc/24/59/22/586245922.db2.gz KNFCGHUXUPMOMZ-UHFFFAOYSA-N 1 1 338.383 0.982 20 5 ECBDMO COc1c(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896540600 586250589 /nfs/dbraw/zinc/25/05/89/586250589.db2.gz FWXIABOHTCRXGN-BXUZGUMPSA-N 1 1 336.392 0.968 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371272 587339960 /nfs/dbraw/zinc/33/99/60/587339960.db2.gz TWVTUZUMFUVAJL-XHDPSFHLSA-N 1 1 348.359 0.557 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371272 587339962 /nfs/dbraw/zinc/33/99/62/587339962.db2.gz TWVTUZUMFUVAJL-XHDPSFHLSA-N 1 1 348.359 0.557 20 5 ECBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]21 ZINC000821629067 587609618 /nfs/dbraw/zinc/60/96/18/587609618.db2.gz XVDWLLWSUVPUHB-CHWSQXEVSA-N 1 1 331.336 0.294 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823812601 587744628 /nfs/dbraw/zinc/74/46/28/587744628.db2.gz NBMKWYKUEPONFZ-HZPDHXFCSA-N 1 1 349.387 0.951 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709176 587957059 /nfs/dbraw/zinc/95/70/59/587957059.db2.gz QOYGJRIQIAJXKP-CABCVRRESA-N 1 1 337.376 0.855 20 5 ECBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826363955 588035328 /nfs/dbraw/zinc/03/53/28/588035328.db2.gz GSSKRVMVVAXNHS-SECBINFHSA-N 1 1 341.335 0.897 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000827905627 588146218 /nfs/dbraw/zinc/14/62/18/588146218.db2.gz MGKDYACMORMSCU-CYBMUJFWSA-N 1 1 335.360 0.831 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000827905627 588146220 /nfs/dbraw/zinc/14/62/20/588146220.db2.gz MGKDYACMORMSCU-CYBMUJFWSA-N 1 1 335.360 0.831 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@]1(O)CCc2ccccc21 ZINC000829338715 588322287 /nfs/dbraw/zinc/32/22/87/588322287.db2.gz YRXQUMVJFHOIRO-RDJZCZTQSA-N 1 1 346.387 0.918 20 5 ECBDMO COC(=O)N(C)CC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000852573375 589501502 /nfs/dbraw/zinc/50/15/02/589501502.db2.gz KATIHEGJSVXORD-ZDUSSCGKSA-N 1 1 341.364 0.965 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811070 589847148 /nfs/dbraw/zinc/84/71/48/589847148.db2.gz NLIPJQICVYOOFZ-QWRGUYRKSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000863319738 590002906 /nfs/dbraw/zinc/00/29/06/590002906.db2.gz GKKJMFDXBSNJJD-ABAIWWIYSA-N 1 1 348.359 0.271 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2C[C@]2(O)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880416624 590390903 /nfs/dbraw/zinc/39/09/03/590390903.db2.gz UZZYBNFDUHWSLL-GUYCJALGSA-N 1 1 346.387 0.310 20 5 ECBDMO CCOC(=O)[C@H]1C[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])CC12COC2 ZINC000878659029 590533964 /nfs/dbraw/zinc/53/39/64/590533964.db2.gz YHVXAJCLEFSYBI-GFCCVEGCSA-N 1 1 338.364 0.611 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889781085 591094549 /nfs/dbraw/zinc/09/45/49/591094549.db2.gz LICYIRWSMJDOKN-GJZGRUSLSA-N 1 1 334.376 0.969 20 5 ECBDMO Cc1nnc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)o1 ZINC000946589134 611356609 /nfs/dbraw/zinc/35/66/09/611356609.db2.gz IBRPTDHNCYKDRC-XJFOESAGSA-N 1 1 349.391 0.714 20 5 ECBDMO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000177355669 608930721 /nfs/dbraw/zinc/93/07/21/608930721.db2.gz MHIQBHZZDLJRNL-CQSZACIVSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000177355669 608930724 /nfs/dbraw/zinc/93/07/24/608930724.db2.gz MHIQBHZZDLJRNL-CQSZACIVSA-N 1 1 327.356 0.859 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967966 611762433 /nfs/dbraw/zinc/76/24/33/611762433.db2.gz WQMOFLXQBOMOPP-HEHGZKQESA-N 1 1 338.360 0.824 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933967966 611762435 /nfs/dbraw/zinc/76/24/35/611762435.db2.gz WQMOFLXQBOMOPP-HEHGZKQESA-N 1 1 338.360 0.824 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC001211620388 737206389 /nfs/dbraw/zinc/20/63/89/737206389.db2.gz XVYMPYNTTYAUBW-UHFFFAOYSA-N 1 1 337.423 0.557 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(CCO)CCNc1ncccc1[N+](=O)[O-] ZINC001111492820 738184773 /nfs/dbraw/zinc/18/47/73/738184773.db2.gz RPNYJGXDSXWSEA-UHFFFAOYSA-N 1 1 339.396 0.564 20 5 ECBDMO CCn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001025776111 739944959 /nfs/dbraw/zinc/94/49/59/739944959.db2.gz YRJAETIVPXAUGF-QMIVOQANSA-N 1 1 333.392 0.157 20 5 ECBDMO CCn1cc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001025776111 739944961 /nfs/dbraw/zinc/94/49/61/739944961.db2.gz YRJAETIVPXAUGF-QMIVOQANSA-N 1 1 333.392 0.157 20 5 ECBDMO CCn1cc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cn1 ZINC001025776111 739944963 /nfs/dbraw/zinc/94/49/63/739944963.db2.gz YRJAETIVPXAUGF-QMIVOQANSA-N 1 1 333.392 0.157 20 5 ECBDMO Cc1nnc(CN2C[C@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@]3(C)C2)o1 ZINC000982278394 751849920 /nfs/dbraw/zinc/84/99/20/751849920.db2.gz AQVWXJRMAPOJCV-BHTHQVBYSA-N 1 1 349.391 0.714 20 5 ECBDMO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000983656046 745004961 /nfs/dbraw/zinc/00/49/61/745004961.db2.gz WRKIVVITXRFGFJ-OJAKKHQRSA-N 1 1 335.364 0.135 20 5 ECBDMO O=C(NCC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399011 746340191 /nfs/dbraw/zinc/34/01/91/746340191.db2.gz HLCBCVUOYPPNHO-HUUCEWRRSA-N 1 1 325.409 0.906 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105405133 747012300 /nfs/dbraw/zinc/01/23/00/747012300.db2.gz NJAARUCXYRPAAY-UHFFFAOYSA-N 1 1 348.367 0.067 20 5 ECBDMO O=C(NCC[NH2+]Cc1cnc(Br)s1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936212 756744347 /nfs/dbraw/zinc/74/43/47/756744347.db2.gz ATRIQIXBLRKVIU-HTQZYQBOSA-N 1 1 349.210 0.777 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])NCC1CCCCC1 ZINC001126942646 756903298 /nfs/dbraw/zinc/90/32/98/756903298.db2.gz DCXDZXLXQXSVOW-CHWSQXEVSA-N 1 1 326.397 0.054 20 5 ECBDMO CCOc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC001022063709 758226519 /nfs/dbraw/zinc/22/65/19/758226519.db2.gz IKTIYYBAKFOADG-XJFOESAGSA-N 1 1 334.376 0.882 20 5 ECBDMO CNC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063401 758226657 /nfs/dbraw/zinc/22/66/57/758226657.db2.gz ASULRBCZBYGTIQ-LXTVHRRPSA-N 1 1 346.387 0.448 20 5 ECBDMO Cn1cnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325977 760130692 /nfs/dbraw/zinc/13/06/92/760130692.db2.gz PTHBMHMMRXEIMK-FDYHWXHSSA-N 1 1 336.396 0.245 20 5 ECBDMO COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001031660611 766379170 /nfs/dbraw/zinc/37/91/70/766379170.db2.gz MGOCFSTVEZKHPR-HZPDHXFCSA-N 1 1 333.388 0.951 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cc(Cl)c[nH]1 ZINC001123466666 770438431 /nfs/dbraw/zinc/43/84/31/770438431.db2.gz MGFJNKFYISXIEH-UHFFFAOYSA-N 1 1 326.744 0.829 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccc(CO)cc1)C2 ZINC001072725062 788651979 /nfs/dbraw/zinc/65/19/79/788651979.db2.gz HTAYUJUPAOYNMK-HZPDHXFCSA-N 1 1 345.399 0.878 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@@H+](Cc1ccc(CO)cc1)C2 ZINC001072725062 788651983 /nfs/dbraw/zinc/65/19/83/788651983.db2.gz HTAYUJUPAOYNMK-HZPDHXFCSA-N 1 1 345.399 0.878 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccc(CO)cc1)C2 ZINC001072725062 788651988 /nfs/dbraw/zinc/65/19/88/788651988.db2.gz HTAYUJUPAOYNMK-HZPDHXFCSA-N 1 1 345.399 0.878 20 5 ECBDMO CC[NH+](CC)CC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073045775 789340019 /nfs/dbraw/zinc/34/00/19/789340019.db2.gz XFUCMJWNFXARCL-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181867497 529901125 /nfs/dbraw/zinc/90/11/25/529901125.db2.gz PLYWAYMVIWOINA-OLZOCXBDSA-N 1 1 337.376 0.793 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000152698549 530055876 /nfs/dbraw/zinc/05/58/76/530055876.db2.gz OHJYGFPAWNUNOX-OAHLLOKOSA-N 1 1 346.387 0.973 20 5 ECBDMO O=C(CCCC[NH+]1CCOCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000178307239 232131218 /nfs/dbraw/zinc/13/12/18/232131218.db2.gz IXDQHTVZYXSZPI-UHFFFAOYSA-N 1 1 325.369 0.410 20 5 ECBDMO Cc1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000178580308 232273420 /nfs/dbraw/zinc/27/34/20/232273420.db2.gz OWRQBJODEWTOLI-UHFFFAOYSA-N 1 1 343.405 0.592 20 5 ECBDMO Cc1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000178580308 232273424 /nfs/dbraw/zinc/27/34/24/232273424.db2.gz OWRQBJODEWTOLI-UHFFFAOYSA-N 1 1 343.405 0.592 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425546061 210069605 /nfs/dbraw/zinc/06/96/05/210069605.db2.gz KMRAGTGKISLXDL-NWDGAFQWSA-N 1 1 333.348 0.942 20 5 ECBDMO Cc1nc(Sc2nnnn2C[C@H]2CC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC000450396703 211323203 /nfs/dbraw/zinc/32/32/03/211323203.db2.gz UDQRQIYIMHDAEV-VIFPVBQESA-N 1 1 336.381 0.783 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000092842234 218175758 /nfs/dbraw/zinc/17/57/58/218175758.db2.gz LIOPLJYGWFNIHR-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000092842234 218175760 /nfs/dbraw/zinc/17/57/60/218175760.db2.gz LIOPLJYGWFNIHR-GFCCVEGCSA-N 1 1 343.405 0.987 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950535 208177816 /nfs/dbraw/zinc/17/78/16/208177816.db2.gz WRJLERQURDSRFL-JSGCOSHPSA-N 1 1 337.376 0.745 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC(C)(CO)CO ZINC000159558030 533327468 /nfs/dbraw/zinc/32/74/68/533327468.db2.gz JMSDUBKVNQSEBL-NSHDSACASA-N 1 1 325.365 0.845 20 5 ECBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CC(C)(CO)CO ZINC000159558030 533327473 /nfs/dbraw/zinc/32/74/73/533327473.db2.gz JMSDUBKVNQSEBL-NSHDSACASA-N 1 1 325.365 0.845 20 5 ECBDMO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159437467 225217098 /nfs/dbraw/zinc/21/70/98/225217098.db2.gz WUAXTAILYSHGBU-WCQYABFASA-N 1 1 337.380 0.816 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000331692353 296957947 /nfs/dbraw/zinc/95/79/47/296957947.db2.gz XNENKUCQISZHET-UHFFFAOYSA-N 1 1 347.379 0.944 20 5 ECBDMO Cc1ccc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000174475491 263149896 /nfs/dbraw/zinc/14/98/96/263149896.db2.gz QORDPYUPIRXRLE-MRXNPFEDSA-N 1 1 337.376 0.716 20 5 ECBDMO Cc1c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000193537756 263167179 /nfs/dbraw/zinc/16/71/79/263167179.db2.gz AJPVNQFAIWWINL-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO CC[N@@H+](CCOCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281959205 264000836 /nfs/dbraw/zinc/00/08/36/264000836.db2.gz GAFUDUOWGIDIJX-CYBMUJFWSA-N 1 1 328.365 0.665 20 5 ECBDMO COCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000266531490 277217099 /nfs/dbraw/zinc/21/70/99/277217099.db2.gz MEGDXINRRLJMDQ-NSHDSACASA-N 1 1 341.364 0.804 20 5 ECBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(N)=O ZINC000266531490 277217100 /nfs/dbraw/zinc/21/71/00/277217100.db2.gz MEGDXINRRLJMDQ-NSHDSACASA-N 1 1 341.364 0.804 20 5 ECBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000338373147 297262409 /nfs/dbraw/zinc/26/24/09/297262409.db2.gz ITARCQMACBCHDC-CQSZACIVSA-N 1 1 348.403 0.793 20 5 ECBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000338373147 297262412 /nfs/dbraw/zinc/26/24/12/297262412.db2.gz ITARCQMACBCHDC-CQSZACIVSA-N 1 1 348.403 0.793 20 5 ECBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344372343 298011290 /nfs/dbraw/zinc/01/12/90/298011290.db2.gz YSNYZGFTSNBVFU-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344372343 298011292 /nfs/dbraw/zinc/01/12/92/298011292.db2.gz YSNYZGFTSNBVFU-GFCCVEGCSA-N 1 1 334.376 0.877 20 5 ECBDMO Cc1[nH+]ccn1CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000360297356 299968269 /nfs/dbraw/zinc/96/82/69/299968269.db2.gz FXLYIIXLMRYGPT-UHFFFAOYSA-N 1 1 345.359 0.954 20 5 ECBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@H]4COC[C@H]4O)CC3)nc2c1 ZINC000361333420 300083725 /nfs/dbraw/zinc/08/37/25/300083725.db2.gz AEAREVXTEHRDSZ-LSDHHAIUSA-N 1 1 347.375 0.743 20 5 ECBDMO CNC(=O)CN1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361748837 300121166 /nfs/dbraw/zinc/12/11/66/300121166.db2.gz CMNZBMMTCGUTRQ-OAHLLOKOSA-N 1 1 336.392 0.382 20 5 ECBDMO CNC(=O)CN1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361748837 300121169 /nfs/dbraw/zinc/12/11/69/300121169.db2.gz CMNZBMMTCGUTRQ-OAHLLOKOSA-N 1 1 336.392 0.382 20 5 ECBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031731 300242270 /nfs/dbraw/zinc/24/22/70/300242270.db2.gz PZWODCFYXGLGTM-LLVKDONJSA-N 1 1 348.407 0.669 20 5 ECBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)C2)CC1 ZINC000363031731 300242271 /nfs/dbraw/zinc/24/22/71/300242271.db2.gz PZWODCFYXGLGTM-LLVKDONJSA-N 1 1 348.407 0.669 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000372732764 301024634 /nfs/dbraw/zinc/02/46/34/301024634.db2.gz RNBFGBFNNQSIMX-SNVBAGLBSA-N 1 1 340.355 0.845 20 5 ECBDMO Nc1nc(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000076267979 436197562 /nfs/dbraw/zinc/19/75/62/436197562.db2.gz QBDLCNXYBVDYCD-ZDUSSCGKSA-N 1 1 344.375 0.798 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000076460256 436207356 /nfs/dbraw/zinc/20/73/56/436207356.db2.gz PCNDMVLFVLBJQV-SNVBAGLBSA-N 1 1 340.405 0.974 20 5 ECBDMO CC[NH+]1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000082250556 436364136 /nfs/dbraw/zinc/36/41/36/436364136.db2.gz SPJRLJWSVPQEBX-UHFFFAOYSA-N 1 1 346.343 0.355 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+](CCO)CCCO)cccc1[N+](=O)[O-] ZINC000109798842 436626922 /nfs/dbraw/zinc/62/69/22/436626922.db2.gz SXEMDBFCWLVOKU-UHFFFAOYSA-N 1 1 325.365 0.909 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000533634912 302100716 /nfs/dbraw/zinc/10/07/16/302100716.db2.gz XQFVGQVZEPIWTF-JTQLQIEISA-N 1 1 331.398 0.431 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000194747699 436671146 /nfs/dbraw/zinc/67/11/46/436671146.db2.gz AVKZMDFCLXNGLJ-BETUJISGSA-N 1 1 339.396 0.749 20 5 ECBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000194747699 436671148 /nfs/dbraw/zinc/67/11/48/436671148.db2.gz AVKZMDFCLXNGLJ-BETUJISGSA-N 1 1 339.396 0.749 20 5 ECBDMO CN1CCN([C@H]2CCCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120049108 436677531 /nfs/dbraw/zinc/67/75/31/436677531.db2.gz IZSILPLODKCVNQ-HNNXBMFYSA-N 1 1 336.440 0.893 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000067826103 436725271 /nfs/dbraw/zinc/72/52/71/436725271.db2.gz MJBPXWCPYGINPL-CYBMUJFWSA-N 1 1 339.396 0.573 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000068179783 436736504 /nfs/dbraw/zinc/73/65/04/436736504.db2.gz YISLTYJSVXJZHH-TXEJJXNPSA-N 1 1 339.396 0.715 20 5 ECBDMO C[C@@H](O)C[N@@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000156341215 436814891 /nfs/dbraw/zinc/81/48/91/436814891.db2.gz XBWNMGYDBCBDOZ-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000273622392 436771885 /nfs/dbraw/zinc/77/18/85/436771885.db2.gz ACBBHXVZPLEIAJ-LBPRGKRZSA-N 1 1 335.364 0.292 20 5 ECBDMO O=C(NC1CC1)N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000273622392 436771887 /nfs/dbraw/zinc/77/18/87/436771887.db2.gz ACBBHXVZPLEIAJ-LBPRGKRZSA-N 1 1 335.364 0.292 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000131285126 436850660 /nfs/dbraw/zinc/85/06/60/436850660.db2.gz IRCNBZJDKPUYAY-NSHDSACASA-N 1 1 340.355 0.845 20 5 ECBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000249698770 436825968 /nfs/dbraw/zinc/82/59/68/436825968.db2.gz WJJOCEWNZBWYRZ-CQSZACIVSA-N 1 1 334.376 0.925 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000261715292 436885065 /nfs/dbraw/zinc/88/50/65/436885065.db2.gz LAWNVBVUTBPKNA-CQSZACIVSA-N 1 1 344.375 0.913 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262481907 436937519 /nfs/dbraw/zinc/93/75/19/436937519.db2.gz ZQSGVQZSOHIOCL-LBPRGKRZSA-N 1 1 344.375 0.591 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281067506 436942693 /nfs/dbraw/zinc/94/26/93/436942693.db2.gz KORWMVLIFJMGIJ-BLLLJJGKSA-N 1 1 337.376 0.793 20 5 ECBDMO Cn1ccnc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000263889741 436998313 /nfs/dbraw/zinc/99/83/13/436998313.db2.gz LBXDDTLJUCMLMG-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO C[N@@H+](CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000299282602 437065041 /nfs/dbraw/zinc/06/50/41/437065041.db2.gz UALXTOMIFWQQOO-UHFFFAOYSA-N 1 1 334.376 0.925 20 5 ECBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000286171748 437087987 /nfs/dbraw/zinc/08/79/87/437087987.db2.gz QJKQWLYWKCKZFA-JTQLQIEISA-N 1 1 339.377 0.947 20 5 ECBDMO CC[N@H+]1CC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000175317864 437100171 /nfs/dbraw/zinc/10/01/71/437100171.db2.gz AWCHDXRYDHXFSF-GFCCVEGCSA-N 1 1 334.376 0.783 20 5 ECBDMO C[N@H+](CCCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000276410352 437100259 /nfs/dbraw/zinc/10/02/59/437100259.db2.gz PQTBFGOVGLXMSW-UHFFFAOYSA-N 1 1 325.321 0.966 20 5 ECBDMO C[N@@H+](CCCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000276410352 437100262 /nfs/dbraw/zinc/10/02/62/437100262.db2.gz PQTBFGOVGLXMSW-UHFFFAOYSA-N 1 1 325.321 0.966 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276546077 437126660 /nfs/dbraw/zinc/12/66/60/437126660.db2.gz PSSWBWHEFXXJHM-UHFFFAOYSA-N 1 1 349.391 0.413 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302129718 437139327 /nfs/dbraw/zinc/13/93/27/437139327.db2.gz JSGZYELYILFRSL-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO CN1CCO[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000331884027 437175628 /nfs/dbraw/zinc/17/56/28/437175628.db2.gz FKWLNIYHOSYNGB-CABCVRRESA-N 1 1 334.376 0.938 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277622988 437238395 /nfs/dbraw/zinc/23/83/95/437238395.db2.gz WJEWHTAATAHLNL-CYBMUJFWSA-N 1 1 334.376 0.890 20 5 ECBDMO O=c1nc([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289406200 437408104 /nfs/dbraw/zinc/40/81/04/437408104.db2.gz LJHFPXMBYABFGC-YPMHNXCESA-N 1 1 333.348 0.919 20 5 ECBDMO Cc1c(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000186667275 437481134 /nfs/dbraw/zinc/48/11/34/437481134.db2.gz OROAIHVSMGDXOP-ZDUSSCGKSA-N 1 1 346.387 0.940 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339045185 437437373 /nfs/dbraw/zinc/43/73/73/437437373.db2.gz VQQPHWDZXFSGKR-NSHDSACASA-N 1 1 343.409 0.668 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000339045185 437437376 /nfs/dbraw/zinc/43/73/76/437437376.db2.gz VQQPHWDZXFSGKR-NSHDSACASA-N 1 1 343.409 0.668 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187434260 437505919 /nfs/dbraw/zinc/50/59/19/437505919.db2.gz SIVLQJHCPUSABC-DYEKYZERSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187434260 437505923 /nfs/dbraw/zinc/50/59/23/437505923.db2.gz SIVLQJHCPUSABC-DYEKYZERSA-N 1 1 337.376 0.920 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188698755 437566037 /nfs/dbraw/zinc/56/60/37/437566037.db2.gz MGDLJDQMXACAFS-JTQLQIEISA-N 1 1 339.396 0.554 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188698755 437566040 /nfs/dbraw/zinc/56/60/40/437566040.db2.gz MGDLJDQMXACAFS-JTQLQIEISA-N 1 1 339.396 0.554 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCSC[C@@H]1CO ZINC000343721021 437636370 /nfs/dbraw/zinc/63/63/70/437636370.db2.gz BZUODEFQXLNIKO-RYUDHWBXSA-N 1 1 328.390 0.744 20 5 ECBDMO O=C(CC[NH+]1CCN(C(=O)CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000340373815 437641112 /nfs/dbraw/zinc/64/11/12/437641112.db2.gz VJIUZOGWYYMFPU-UHFFFAOYSA-N 1 1 336.348 0.060 20 5 ECBDMO C[NH+]1CCN(C[C@H]2CCCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000361813261 437688759 /nfs/dbraw/zinc/68/87/59/437688759.db2.gz JICVJAUMOYQLIX-GFCCVEGCSA-N 1 1 335.412 0.431 20 5 ECBDMO COc1cncc(N2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)n1 ZINC000363123523 437769940 /nfs/dbraw/zinc/76/99/40/437769940.db2.gz FFMPMXGOYSAGAB-UHFFFAOYSA-N 1 1 333.352 0.412 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347400908 437881819 /nfs/dbraw/zinc/88/18/19/437881819.db2.gz ALJZSDWROAZAOB-UHFFFAOYSA-N 1 1 344.375 1.114 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416289936 437904802 /nfs/dbraw/zinc/90/48/02/437904802.db2.gz GCTMMSFWCSEOMB-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000416289936 437904805 /nfs/dbraw/zinc/90/48/05/437904805.db2.gz GCTMMSFWCSEOMB-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1cc(C[N@@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304555 438050433 /nfs/dbraw/zinc/05/04/33/438050433.db2.gz AIWRXGOKDANJQJ-ZJUUUORDSA-N 1 1 337.307 0.837 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304555 438050438 /nfs/dbraw/zinc/05/04/38/438050438.db2.gz AIWRXGOKDANJQJ-ZJUUUORDSA-N 1 1 337.307 0.837 20 5 ECBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000343011278 438104279 /nfs/dbraw/zinc/10/42/79/438104279.db2.gz ZYCLQZZUCLNRSY-SECBINFHSA-N 1 1 343.361 0.348 20 5 ECBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000343011278 438104284 /nfs/dbraw/zinc/10/42/84/438104284.db2.gz ZYCLQZZUCLNRSY-SECBINFHSA-N 1 1 343.361 0.348 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348760066 438095592 /nfs/dbraw/zinc/09/55/92/438095592.db2.gz FCCOIHAIEQITCH-UONOGXRCSA-N 1 1 337.376 0.351 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000348760066 438095596 /nfs/dbraw/zinc/09/55/96/438095596.db2.gz FCCOIHAIEQITCH-UONOGXRCSA-N 1 1 337.376 0.351 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000366353259 438058768 /nfs/dbraw/zinc/05/87/68/438058768.db2.gz DCAHYTBSCAHHEE-QXSJWSMHSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CC1[N+](=O)[O-] ZINC000366353259 438058770 /nfs/dbraw/zinc/05/87/70/438058770.db2.gz DCAHYTBSCAHHEE-QXSJWSMHSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CC1[N+](=O)[O-] ZINC000366353259 438058772 /nfs/dbraw/zinc/05/87/72/438058772.db2.gz DCAHYTBSCAHHEE-QXSJWSMHSA-N 1 1 333.388 0.651 20 5 ECBDMO C[N@@H+]1CC=C(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000342792707 438066506 /nfs/dbraw/zinc/06/65/06/438066506.db2.gz URHWFPRFLQKNGD-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372346447 438076093 /nfs/dbraw/zinc/07/60/93/438076093.db2.gz NOVVEKBEQRVVDA-BNOWGMLFSA-N 1 1 334.376 0.875 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418082519 438106878 /nfs/dbraw/zinc/10/68/78/438106878.db2.gz JIBMNXZRLNRIBD-UHFFFAOYSA-N 1 1 328.279 0.864 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO ZINC000373306015 438142986 /nfs/dbraw/zinc/14/29/86/438142986.db2.gz SXCYIIVNEVJCCF-STQMWFEESA-N 1 1 349.391 0.865 20 5 ECBDMO COc1cc(CNC[C@@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164960 438172957 /nfs/dbraw/zinc/17/29/57/438172957.db2.gz NTRSQMUZVPIWMO-HNNXBMFYSA-N 1 1 325.365 0.768 20 5 ECBDMO C[N@H+]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000351486282 438267668 /nfs/dbraw/zinc/26/76/68/438267668.db2.gz MSSZVDZHYNZIEB-STQMWFEESA-N 1 1 330.348 0.400 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367990757 438275558 /nfs/dbraw/zinc/27/55/58/438275558.db2.gz YSQNLZPUILNUII-JTQLQIEISA-N 1 1 336.348 0.739 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])c1 ZINC000367990757 438275560 /nfs/dbraw/zinc/27/55/60/438275560.db2.gz YSQNLZPUILNUII-JTQLQIEISA-N 1 1 336.348 0.739 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000368073462 438284072 /nfs/dbraw/zinc/28/40/72/438284072.db2.gz ZYAWYDNVDXHFGH-JHJVBQTASA-N 1 1 335.360 0.402 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367776384 438248920 /nfs/dbraw/zinc/24/89/20/438248920.db2.gz FBISMGUTZBWGQI-MNOVXSKESA-N 1 1 349.343 0.707 20 5 ECBDMO Nc1nccc([C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455288 438331041 /nfs/dbraw/zinc/33/10/41/438331041.db2.gz OCHMDPOAUSZNAI-DGCLKSJQSA-N 1 1 347.379 0.404 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476534 438299932 /nfs/dbraw/zinc/29/99/32/438299932.db2.gz JOYQZGWSBLPNPH-RYUDHWBXSA-N 1 1 340.405 0.911 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476534 438299935 /nfs/dbraw/zinc/29/99/35/438299935.db2.gz JOYQZGWSBLPNPH-RYUDHWBXSA-N 1 1 340.405 0.911 20 5 ECBDMO O=C(CC[N@H+]1CCN2CCOC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368328354 438316951 /nfs/dbraw/zinc/31/69/51/438316951.db2.gz PBNCXZRVXKCCNG-OAHLLOKOSA-N 1 1 334.376 0.940 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000368594793 438352900 /nfs/dbraw/zinc/35/29/00/438352900.db2.gz XLNWTCBSQZWYRE-SWLSCSKDSA-N 1 1 346.387 0.877 20 5 ECBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@H]12 ZINC000368635341 438355891 /nfs/dbraw/zinc/35/58/91/438355891.db2.gz FQHWOQIHNXEHES-STQMWFEESA-N 1 1 347.327 0.556 20 5 ECBDMO CCn1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])n1 ZINC000407989875 438480034 /nfs/dbraw/zinc/48/00/34/438480034.db2.gz IUJSAUQWOOIGRN-MNOVXSKESA-N 1 1 343.409 0.668 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420979585 438456453 /nfs/dbraw/zinc/45/64/53/438456453.db2.gz SXLFJPIGYVTNDL-LBPRGKRZSA-N 1 1 332.360 0.552 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000420979585 438456456 /nfs/dbraw/zinc/45/64/56/438456456.db2.gz SXLFJPIGYVTNDL-LBPRGKRZSA-N 1 1 332.360 0.552 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000422018419 438511272 /nfs/dbraw/zinc/51/12/72/438511272.db2.gz JFNCSSNQKKLFCE-CQSZACIVSA-N 1 1 334.376 0.877 20 5 ECBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588069894 438815855 /nfs/dbraw/zinc/81/58/55/438815855.db2.gz SKOCUKQWQNRMRI-SMDDNHRTSA-N 1 1 336.392 0.969 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608412 438833683 /nfs/dbraw/zinc/83/36/83/438833683.db2.gz PGPQHHXDPDWIKS-KBPBESRZSA-N 1 1 347.375 0.948 20 5 ECBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000578193173 438903141 /nfs/dbraw/zinc/90/31/41/438903141.db2.gz PSQUQCXYJYAQMQ-YPMHNXCESA-N 1 1 341.389 0.655 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000515581157 438874269 /nfs/dbraw/zinc/87/42/69/438874269.db2.gz SOGVSEWTDGZELB-LNSITVRQSA-N 1 1 326.349 0.010 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@](C)(C(F)F)O1 ZINC000595918984 438885381 /nfs/dbraw/zinc/88/53/81/438885381.db2.gz PLZWFYQQQMMYPL-CDMKHQONSA-N 1 1 334.323 0.897 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@](C)(C(F)F)O1 ZINC000595918984 438885387 /nfs/dbraw/zinc/88/53/87/438885387.db2.gz PLZWFYQQQMMYPL-CDMKHQONSA-N 1 1 334.323 0.897 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386609 438916486 /nfs/dbraw/zinc/91/64/86/438916486.db2.gz CLCVDSVZZCJJGW-SNVBAGLBSA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386609 438916488 /nfs/dbraw/zinc/91/64/88/438916488.db2.gz CLCVDSVZZCJJGW-SNVBAGLBSA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386609 438916494 /nfs/dbraw/zinc/91/64/94/438916494.db2.gz CLCVDSVZZCJJGW-SNVBAGLBSA-N 1 1 337.380 0.952 20 5 ECBDMO NC(=O)c1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000596099722 438924063 /nfs/dbraw/zinc/92/40/63/438924063.db2.gz WDHXFQXCAHCCBS-UHFFFAOYSA-N 1 1 342.359 0.998 20 5 ECBDMO CN(CC(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)c1ccccc1[N+](=O)[O-] ZINC000590542020 438929104 /nfs/dbraw/zinc/92/91/04/438929104.db2.gz WFBLSBGOAJNGDR-CQSZACIVSA-N 1 1 347.419 0.537 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590582790 438934560 /nfs/dbraw/zinc/93/45/60/438934560.db2.gz UQYKOEONBZNNIH-MFKMUULPSA-N 1 1 340.405 0.773 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000596267902 438947909 /nfs/dbraw/zinc/94/79/09/438947909.db2.gz CBOBYTXPMDNHKP-UHFFFAOYSA-N 1 1 349.391 0.780 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596279116 438950183 /nfs/dbraw/zinc/95/01/83/438950183.db2.gz PPGOVNIHNYQLSH-NSHDSACASA-N 1 1 328.394 0.773 20 5 ECBDMO C[C@@H](C[NH+]1CCOCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509521 438971971 /nfs/dbraw/zinc/97/19/71/438971971.db2.gz MTWKKMURNDPHEU-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H](CN1CCOCC1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459509521 438971984 /nfs/dbraw/zinc/97/19/84/438971984.db2.gz MTWKKMURNDPHEU-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO Nc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc(CO)c1[N+](=O)[O-] ZINC000596541555 438974079 /nfs/dbraw/zinc/97/40/79/438974079.db2.gz ZHJNQTHGVMPUQV-AWEZNQCLSA-N 1 1 336.392 0.705 20 5 ECBDMO O=C1C[C@@H]([N@H+]2C[C@@H]3COC[C@@H]3C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000601909555 438988585 /nfs/dbraw/zinc/98/85/85/438988585.db2.gz FQMIVHBBOCPNHW-UHIISALHSA-N 1 1 331.328 0.805 20 5 ECBDMO O=[N+]([O-])c1ccccc1OCC[N@H+](CCO)CCN1CCOCC1 ZINC000487492682 439151073 /nfs/dbraw/zinc/15/10/73/439151073.db2.gz AEZAKIRTVZRGDW-UHFFFAOYSA-N 1 1 339.392 0.600 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]2C1 ZINC000581522973 439221988 /nfs/dbraw/zinc/22/19/88/439221988.db2.gz ATJZOQWDQUAFIB-BETUJISGSA-N 1 1 347.371 0.929 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)nc1 ZINC000603423952 439259141 /nfs/dbraw/zinc/25/91/41/439259141.db2.gz RXJQUKGRHBFOBF-CYBMUJFWSA-N 1 1 336.396 0.593 20 5 ECBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593060585 439335764 /nfs/dbraw/zinc/33/57/64/439335764.db2.gz CPLUGDNJBSBCOO-BFHYXJOUSA-N 1 1 326.349 0.416 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)c1[N+](=O)[O-] ZINC000592872986 439293108 /nfs/dbraw/zinc/29/31/08/439293108.db2.gz NVOZKKXZVDDNQG-VIFPVBQESA-N 1 1 338.368 0.072 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000604266166 439305170 /nfs/dbraw/zinc/30/51/70/439305170.db2.gz VORDCWACRNXQNX-CYBMUJFWSA-N 1 1 337.424 0.937 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100942 439342992 /nfs/dbraw/zinc/34/29/92/439342992.db2.gz QDAPONKSTZLKAR-WXTIYCDTSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593100942 439342996 /nfs/dbraw/zinc/34/29/96/439342996.db2.gz QDAPONKSTZLKAR-WXTIYCDTSA-N 1 1 326.374 0.540 20 5 ECBDMO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@H]2O1 ZINC000593115155 439345312 /nfs/dbraw/zinc/34/53/12/439345312.db2.gz CNGAWFNFIABOEI-YNEHKIRRSA-N 1 1 326.353 0.030 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@H]2O1 ZINC000593115155 439345314 /nfs/dbraw/zinc/34/53/14/439345314.db2.gz CNGAWFNFIABOEI-YNEHKIRRSA-N 1 1 326.353 0.030 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)n1 ZINC000583198724 439432859 /nfs/dbraw/zinc/43/28/59/439432859.db2.gz CHOWKRLENNBALG-SNVBAGLBSA-N 1 1 333.352 0.331 20 5 ECBDMO CCOC(=O)C[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000599325820 439434824 /nfs/dbraw/zinc/43/48/24/439434824.db2.gz MJOTYEFKKCROBL-AAEUAGOBSA-N 1 1 338.364 0.790 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)n1 ZINC000599414919 439461115 /nfs/dbraw/zinc/46/11/15/439461115.db2.gz KKIVQKMJXUBAEV-JTQLQIEISA-N 1 1 331.398 0.339 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000583730416 439503484 /nfs/dbraw/zinc/50/34/84/439503484.db2.gz WLXMITLTFJEHIC-LLVKDONJSA-N 1 1 325.369 0.559 20 5 ECBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000594477594 439567108 /nfs/dbraw/zinc/56/71/08/439567108.db2.gz GVKMDBXTFFIMDB-UONOGXRCSA-N 1 1 341.389 0.175 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000609619842 439580841 /nfs/dbraw/zinc/58/08/41/439580841.db2.gz KMYUXIMCGOBGEC-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000609619842 439580844 /nfs/dbraw/zinc/58/08/44/439580844.db2.gz KMYUXIMCGOBGEC-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000609619842 439580848 /nfs/dbraw/zinc/58/08/48/439580848.db2.gz KMYUXIMCGOBGEC-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO COC(=O)c1cc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc(C)c1[N+](=O)[O-] ZINC000594603056 439580897 /nfs/dbraw/zinc/58/08/97/439580897.db2.gz HQODNYNUELNRFM-QWHCGFSZSA-N 1 1 335.360 0.945 20 5 ECBDMO COc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941811 439580913 /nfs/dbraw/zinc/58/09/13/439580913.db2.gz YUZNBKIAMXJMEJ-NWDGAFQWSA-N 1 1 335.360 0.885 20 5 ECBDMO COc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941813 439581429 /nfs/dbraw/zinc/58/14/29/439581429.db2.gz YUZNBKIAMXJMEJ-VXGBXAGGSA-N 1 1 335.360 0.885 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938656 439581822 /nfs/dbraw/zinc/58/18/22/439581822.db2.gz CSDVDJZDJWUCCC-ZIAGYGMSSA-N 1 1 349.387 0.950 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000599939244 439581842 /nfs/dbraw/zinc/58/18/42/439581842.db2.gz UCDIXCIOGBDUEL-CHWSQXEVSA-N 1 1 335.360 0.885 20 5 ECBDMO COc1ccc(S(=O)(=O)N(C)CC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC000594847913 439629967 /nfs/dbraw/zinc/62/99/67/439629967.db2.gz XCJUZXOVONMOJZ-UHFFFAOYSA-N 1 1 329.378 0.786 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000600691216 439690034 /nfs/dbraw/zinc/69/00/34/439690034.db2.gz ITXYIGCAMFVUDI-JTQLQIEISA-N 1 1 342.377 0.066 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000595505256 439735409 /nfs/dbraw/zinc/73/54/09/439735409.db2.gz PEHHPNHPSPNXEK-QGZVFWFLSA-N 1 1 349.387 0.894 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)n1 ZINC000617405658 439878178 /nfs/dbraw/zinc/87/81/78/439878178.db2.gz JNMUPORREWEFOH-NSHDSACASA-N 1 1 325.369 0.652 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000341742772 321066423 /nfs/dbraw/zinc/06/64/23/321066423.db2.gz IDYUDSVDBBQQJJ-UHFFFAOYSA-N 1 1 335.364 0.316 20 5 ECBDMO C[C@@H]1OCC[C@]12C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC000348248655 321271628 /nfs/dbraw/zinc/27/16/28/321271628.db2.gz PKXFSYPZHBAFAT-YUTCNCBUSA-N 1 1 326.353 0.032 20 5 ECBDMO O=C(CCN1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000352507885 321362251 /nfs/dbraw/zinc/36/22/51/321362251.db2.gz DPROQADSJVFPSE-CQSZACIVSA-N 1 1 347.419 0.903 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000562383067 322272119 /nfs/dbraw/zinc/27/21/19/322272119.db2.gz QDTHGGWMGUITQL-IUODEOHRSA-N 1 1 337.376 0.907 20 5 ECBDMO CCOC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000155113523 528064224 /nfs/dbraw/zinc/06/42/24/528064224.db2.gz JQKQVJWRLITIBM-WCQYABFASA-N 1 1 326.353 0.427 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000737004429 578472143 /nfs/dbraw/zinc/47/21/43/578472143.db2.gz MMTXSLMMPHPYJD-LLVKDONJSA-N 1 1 347.379 0.932 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000784152599 578749302 /nfs/dbraw/zinc/74/93/02/578749302.db2.gz NQGOZZYLSIBCRN-NSHDSACASA-N 1 1 336.348 0.699 20 5 ECBDMO Cc1nn(C)c(Cl)c1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000788006079 578825332 /nfs/dbraw/zinc/82/53/32/578825332.db2.gz LHIOGMAFXKCIEO-LLVKDONJSA-N 1 1 342.787 0.980 20 5 ECBDMO Cc1nn(C)c(Cl)c1C[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000788006079 578825333 /nfs/dbraw/zinc/82/53/33/578825333.db2.gz LHIOGMAFXKCIEO-LLVKDONJSA-N 1 1 342.787 0.980 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593086 579285469 /nfs/dbraw/zinc/28/54/69/579285469.db2.gz VZICOTJYWKRIRM-HOTGVXAUSA-N 1 1 339.392 0.253 20 5 ECBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)NC ZINC000764205493 579573067 /nfs/dbraw/zinc/57/30/67/579573067.db2.gz VQSCUHWLAZLZID-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@H+](C)C1 ZINC000840504580 586380852 /nfs/dbraw/zinc/38/08/52/586380852.db2.gz QSEDJKSKTYHYRI-JTQLQIEISA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC[N@@H+](C)C1 ZINC000840504580 586380853 /nfs/dbraw/zinc/38/08/53/586380853.db2.gz QSEDJKSKTYHYRI-JTQLQIEISA-N 1 1 336.348 0.354 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000894958432 586421196 /nfs/dbraw/zinc/42/11/96/586421196.db2.gz PCKOIOVIBRCWEL-UHFFFAOYSA-N 1 1 344.375 0.748 20 5 ECBDMO O=C1C[NH2+]CCN1Cc1nc(CCNc2ccccc2[N+](=O)[O-])no1 ZINC000843184696 589053057 /nfs/dbraw/zinc/05/30/57/589053057.db2.gz HQTVAMUVABXLOA-UHFFFAOYSA-N 1 1 346.347 0.564 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899946884 586514559 /nfs/dbraw/zinc/51/45/59/586514559.db2.gz JSQINZSTSKKDRB-DYVFJYSZSA-N 1 1 348.403 0.699 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899946886 586514570 /nfs/dbraw/zinc/51/45/70/586514570.db2.gz JSQINZSTSKKDRB-SUMWQHHRSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCN1C ZINC000900800810 586668808 /nfs/dbraw/zinc/66/88/08/586668808.db2.gz DUTLZJCPCBHWOT-YPMHNXCESA-N 1 1 338.412 0.277 20 5 ECBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707592 586889701 /nfs/dbraw/zinc/88/97/01/586889701.db2.gz DCAHYTBSCAHHEE-LVQVYYBASA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839707592 586889704 /nfs/dbraw/zinc/88/97/04/586889704.db2.gz DCAHYTBSCAHHEE-LVQVYYBASA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839707592 586889706 /nfs/dbraw/zinc/88/97/06/586889706.db2.gz DCAHYTBSCAHHEE-LVQVYYBASA-N 1 1 333.388 0.651 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1C[N@H+](C)CCO1 ZINC000801928720 587005729 /nfs/dbraw/zinc/00/57/29/587005729.db2.gz XWZTYTZGVRVUAS-ISVAXAHUSA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1C[N@@H+](C)CCO1 ZINC000801928720 587005730 /nfs/dbraw/zinc/00/57/30/587005730.db2.gz XWZTYTZGVRVUAS-ISVAXAHUSA-N 1 1 326.328 0.765 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371269 587340118 /nfs/dbraw/zinc/34/01/18/587340118.db2.gz TWVTUZUMFUVAJL-ABAIWWIYSA-N 1 1 348.359 0.557 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371269 587340120 /nfs/dbraw/zinc/34/01/20/587340120.db2.gz TWVTUZUMFUVAJL-ABAIWWIYSA-N 1 1 348.359 0.557 20 5 ECBDMO C[N@@H+](CCO)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821602530 587605177 /nfs/dbraw/zinc/60/51/77/587605177.db2.gz HHZWKJZVFBVHEY-UHFFFAOYSA-N 1 1 348.367 0.063 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1 ZINC000845840917 589172772 /nfs/dbraw/zinc/17/27/72/589172772.db2.gz NVGOGLIFEOGPST-NEPJUHHUSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)nc1 ZINC000845840917 589172774 /nfs/dbraw/zinc/17/27/74/589172774.db2.gz NVGOGLIFEOGPST-NEPJUHHUSA-N 1 1 342.377 0.131 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000860160892 589749722 /nfs/dbraw/zinc/74/97/22/589749722.db2.gz LXSAPZAADRWYGI-DGCLKSJQSA-N 1 1 331.328 0.589 20 5 ECBDMO O=C(C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000860160892 589749724 /nfs/dbraw/zinc/74/97/24/589749724.db2.gz LXSAPZAADRWYGI-DGCLKSJQSA-N 1 1 331.328 0.589 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)OCCNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000860550853 589782820 /nfs/dbraw/zinc/78/28/20/589782820.db2.gz UIQLKMFCZHGJDK-UHFFFAOYSA-N 1 1 347.331 0.854 20 5 ECBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](C)N3CC[NH2+]CC3=O)n2)n1C ZINC000863674310 590030207 /nfs/dbraw/zinc/03/02/07/590030207.db2.gz YWVCKUIUONDDTH-SSDOTTSWSA-N 1 1 335.324 0.180 20 5 ECBDMO O=C(CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000880071975 590365925 /nfs/dbraw/zinc/36/59/25/590365925.db2.gz MYPQUTWISWWHGA-QWHCGFSZSA-N 1 1 334.376 0.674 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000879002535 590557557 /nfs/dbraw/zinc/55/75/57/590557557.db2.gz KCCFMHOTQSMFRC-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000879002535 590557559 /nfs/dbraw/zinc/55/75/59/590557559.db2.gz KCCFMHOTQSMFRC-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO CCOc1cc(N2CC[NH+](C[C@H](O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000930285274 611408704 /nfs/dbraw/zinc/40/87/04/611408704.db2.gz QBWGMBGHRJAIDV-DOMZBBRYSA-N 1 1 339.392 0.857 20 5 ECBDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2CC1 ZINC000946747977 611450051 /nfs/dbraw/zinc/45/00/51/611450051.db2.gz YIUBBWGMGBQXJP-OKILXGFUSA-N 1 1 346.387 0.751 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178866316 609132685 /nfs/dbraw/zinc/13/26/85/609132685.db2.gz OPUGBCFTDRNYOP-HOTGVXAUSA-N 1 1 339.392 0.253 20 5 ECBDMO CN(C(=O)CN1CCN(C)CC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000933993521 611764448 /nfs/dbraw/zinc/76/44/48/611764448.db2.gz DWVDJCALCSITGP-UHFFFAOYSA-N 1 1 349.435 0.737 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000954243018 612792145 /nfs/dbraw/zinc/79/21/45/612792145.db2.gz YAFHCBFTTSQXOY-CHWSQXEVSA-N 1 1 338.408 0.195 20 5 ECBDMO C[NH+](C)/C=C/c1cc(N2CCN3C(=O)COC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001167229878 733073881 /nfs/dbraw/zinc/07/38/81/733073881.db2.gz MERBVULBERZYHR-OOPCZODUSA-N 1 1 347.375 0.570 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21)c1nnc[nH]1 ZINC001026114660 740386247 /nfs/dbraw/zinc/38/62/47/740386247.db2.gz ZANSNEXZWUWKAF-PJXYFTJBSA-N 1 1 328.332 0.573 20 5 ECBDMO C[NH+]1CCC(C(=O)N[C@H]2C[C@@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000978793924 746698804 /nfs/dbraw/zinc/69/88/04/746698804.db2.gz CMTBBEFQKRBXCK-YXCITZCRSA-N 1 1 338.408 0.004 20 5 ECBDMO O=C(N[C@H]1C[C@@](C[NH2+]CCO)(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001105423248 749009885 /nfs/dbraw/zinc/00/98/85/749009885.db2.gz KNZMXNXSVRZEFC-ANQUJSFKSA-N 1 1 333.388 0.450 20 5 ECBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1CCN(C(=O)C(N)=O)CC1 ZINC001029988941 750396070 /nfs/dbraw/zinc/39/60/70/750396070.db2.gz GLNCZHDSLFHQIE-UHFFFAOYSA-N 1 1 340.405 0.812 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000075712454 753900022 /nfs/dbraw/zinc/90/00/22/753900022.db2.gz VSMBVGKBPATLNZ-WCQYABFASA-N 1 1 326.353 0.237 20 5 ECBDMO CCc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126936890 756766780 /nfs/dbraw/zinc/76/67/80/756766780.db2.gz WLHOJMYVNHGQJK-ZIAGYGMSSA-N 1 1 334.376 0.559 20 5 ECBDMO Cc1nnsc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814355 757081208 /nfs/dbraw/zinc/08/12/08/757081208.db2.gz HKJSLDCEIDQXHU-WRWGMCAJSA-N 1 1 337.405 0.402 20 5 ECBDMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001048914748 757390957 /nfs/dbraw/zinc/39/09/57/757390957.db2.gz YFHIUKPEBGUSCV-BETUJISGSA-N 1 1 342.359 0.917 20 5 ECBDMO Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C3)n1 ZINC001048525240 760662666 /nfs/dbraw/zinc/66/26/66/760662666.db2.gz PRLOWSNWRIQGGI-DPZJBDQQSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001048525240 760662670 /nfs/dbraw/zinc/66/26/70/760662670.db2.gz PRLOWSNWRIQGGI-DPZJBDQQSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])C3)n1 ZINC001048525240 760662674 /nfs/dbraw/zinc/66/26/74/760662674.db2.gz PRLOWSNWRIQGGI-DPZJBDQQSA-N 1 1 347.419 0.945 20 5 ECBDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC001031649548 766342708 /nfs/dbraw/zinc/34/27/08/766342708.db2.gz FKZRZYGOVIBPIQ-UHFFFAOYSA-N 1 1 330.348 0.585 20 5 ECBDMO CCN(C(=O)CCCC[NH+](C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080180991 777510813 /nfs/dbraw/zinc/51/08/13/777510813.db2.gz IPPBTOOVJGPSCZ-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CN(C)C(=O)c1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001266696905 836159903 /nfs/dbraw/zinc/15/99/03/836159903.db2.gz WFRXLXDXCYFTRK-HUUCEWRRSA-N 1 1 348.403 0.602 20 5 ECBDMO CC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001266898372 836449965 /nfs/dbraw/zinc/44/99/65/836449965.db2.gz CGCOEMZNJDJBGF-VIKVFOODSA-N 1 1 332.360 0.277 20 5 ECBDMO CN(CC[NH2+]Cc1cccc2c1CCOC2)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371276 837272614 /nfs/dbraw/zinc/27/26/14/837272614.db2.gz JBHGHEQSZJHQHA-HZPDHXFCSA-N 1 1 333.388 0.973 20 5 ECBDMO Cn1cc(CC[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001267730430 838416308 /nfs/dbraw/zinc/41/63/08/838416308.db2.gz WKPZXKQKDSAHAH-HZPDHXFCSA-N 1 1 349.435 0.798 20 5 ECBDMO Cn1cc(CC[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001267730430 838416312 /nfs/dbraw/zinc/41/63/12/838416312.db2.gz WKPZXKQKDSAHAH-HZPDHXFCSA-N 1 1 349.435 0.798 20 5 ECBDMO Cn1cc(CC[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001267730430 838416318 /nfs/dbraw/zinc/41/63/18/838416318.db2.gz WKPZXKQKDSAHAH-HZPDHXFCSA-N 1 1 349.435 0.798 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)n1 ZINC000427842658 210222572 /nfs/dbraw/zinc/22/25/72/210222572.db2.gz KVCVZEDGMOPLSX-LLVKDONJSA-N 1 1 325.369 0.652 20 5 ECBDMO CCOC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051321 299190277 /nfs/dbraw/zinc/19/02/77/299190277.db2.gz NCMOSGCZAOUWKP-IAQYHMDHSA-N 1 1 338.364 0.790 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000355304044 299235500 /nfs/dbraw/zinc/23/55/00/299235500.db2.gz AUPOASUFSRFAHR-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000355304044 299235504 /nfs/dbraw/zinc/23/55/04/299235504.db2.gz AUPOASUFSRFAHR-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](CC)C[C@@H]32)c1[N+](=O)[O-] ZINC000355304044 299235506 /nfs/dbraw/zinc/23/55/06/299235506.db2.gz AUPOASUFSRFAHR-RYUDHWBXSA-N 1 1 337.380 0.816 20 5 ECBDMO COc1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000080985385 217347841 /nfs/dbraw/zinc/34/78/41/217347841.db2.gz ZEWJKZDHFWRRQK-ZDUSSCGKSA-N 1 1 336.348 0.998 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000266447490 248305971 /nfs/dbraw/zinc/30/59/71/248305971.db2.gz NZMSUIXSIHCIBN-CQSZACIVSA-N 1 1 332.364 0.369 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000449520571 211282751 /nfs/dbraw/zinc/28/27/51/211282751.db2.gz FWBMOHKUZXWKKK-AOOOYVTPSA-N 1 1 341.270 0.901 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]12 ZINC000449520571 211282753 /nfs/dbraw/zinc/28/27/53/211282753.db2.gz FWBMOHKUZXWKKK-AOOOYVTPSA-N 1 1 341.270 0.901 20 5 ECBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803469 211097733 /nfs/dbraw/zinc/09/77/33/211097733.db2.gz PUBFQGZSNRGMRR-STQMWFEESA-N 1 1 346.409 0.051 20 5 ECBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803469 211097737 /nfs/dbraw/zinc/09/77/37/211097737.db2.gz PUBFQGZSNRGMRR-STQMWFEESA-N 1 1 346.409 0.051 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411910226 208164855 /nfs/dbraw/zinc/16/48/55/208164855.db2.gz LMYLZXBNPRKENX-KKUMJFAQSA-N 1 1 335.360 0.782 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411910226 208164861 /nfs/dbraw/zinc/16/48/61/208164861.db2.gz LMYLZXBNPRKENX-KKUMJFAQSA-N 1 1 335.360 0.782 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411914193 208167752 /nfs/dbraw/zinc/16/77/52/208167752.db2.gz STSSMLYGZWSPLB-RWMBFGLXSA-N 1 1 326.349 0.416 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@H+](C)C1 ZINC000413918664 208376611 /nfs/dbraw/zinc/37/66/11/208376611.db2.gz LLKTXNAMGCITLI-LLVKDONJSA-N 1 1 336.348 0.475 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@@H+](C)C1 ZINC000413918664 208376616 /nfs/dbraw/zinc/37/66/16/208376616.db2.gz LLKTXNAMGCITLI-LLVKDONJSA-N 1 1 336.348 0.475 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414143450 208394724 /nfs/dbraw/zinc/39/47/24/208394724.db2.gz LOSKJHHPXWSTTQ-LOWVWBTDSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1c([N+](=O)[O-])ccc(=O)n1C[C@@H](O)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414143450 208394727 /nfs/dbraw/zinc/39/47/27/208394727.db2.gz LOSKJHHPXWSTTQ-LOWVWBTDSA-N 1 1 325.365 0.535 20 5 ECBDMO C[C@@H]1CN(C2CCC2)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351662 210315057 /nfs/dbraw/zinc/31/50/57/210315057.db2.gz FWKZQKCPFNBWJV-XJKSGUPXSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@@H]1CN(C2CCC2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429351662 210315059 /nfs/dbraw/zinc/31/50/59/210315059.db2.gz FWKZQKCPFNBWJV-XJKSGUPXSA-N 1 1 337.424 0.958 20 5 ECBDMO C[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CCC2)C1 ZINC000429351662 210315056 /nfs/dbraw/zinc/31/50/56/210315056.db2.gz FWKZQKCPFNBWJV-XJKSGUPXSA-N 1 1 337.424 0.958 20 5 ECBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000261682763 165227580 /nfs/dbraw/zinc/22/75/80/165227580.db2.gz HOBRFBUENSDHEX-CQSZACIVSA-N 1 1 345.359 0.880 20 5 ECBDMO C[C@H](O)CN1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189391597 263163097 /nfs/dbraw/zinc/16/30/97/263163097.db2.gz QIOVVBFXLFLDTH-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000267066066 263179933 /nfs/dbraw/zinc/17/99/33/263179933.db2.gz ANKMLVYJECHALV-LLVKDONJSA-N 1 1 338.412 0.494 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270592066 263255338 /nfs/dbraw/zinc/25/53/38/263255338.db2.gz FFGULGPWMHGONV-LLVKDONJSA-N 1 1 335.364 0.974 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CCC2)CC1 ZINC000272793892 263373712 /nfs/dbraw/zinc/37/37/12/263373712.db2.gz CYHQSMQITWOGRJ-UHFFFAOYSA-N 1 1 340.405 0.917 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000282363464 264037734 /nfs/dbraw/zinc/03/77/34/264037734.db2.gz NKZLEFFOHYOSMG-LKFCYVNXSA-N 1 1 336.348 0.656 20 5 ECBDMO CC(C)[N@@H+](CCOCCO)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000283745292 264147776 /nfs/dbraw/zinc/14/77/76/264147776.db2.gz JGKNPBLPDSGQMK-UHFFFAOYSA-N 1 1 325.365 0.913 20 5 ECBDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285156419 264285383 /nfs/dbraw/zinc/28/53/83/264285383.db2.gz SXQNGHAWJXCJAE-KBPBESRZSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000285156419 264285387 /nfs/dbraw/zinc/28/53/87/264285387.db2.gz SXQNGHAWJXCJAE-KBPBESRZSA-N 1 1 341.389 0.688 20 5 ECBDMO C[NH+]1CCN(C(=O)CCn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000286725214 264419290 /nfs/dbraw/zinc/41/92/90/264419290.db2.gz VJMQUILMWIEGNB-UHFFFAOYSA-N 1 1 346.185 0.718 20 5 ECBDMO COC(=O)Cc1ccc(NC[C@@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000297271692 265136439 /nfs/dbraw/zinc/13/64/39/265136439.db2.gz WVYVVFKRWFBCEY-CYBMUJFWSA-N 1 1 336.392 0.968 20 5 ECBDMO C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000339439037 297348810 /nfs/dbraw/zinc/34/88/10/297348810.db2.gz ZCCCXOZZBAJHPC-JTQLQIEISA-N 1 1 338.368 0.038 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000345164689 298124725 /nfs/dbraw/zinc/12/47/25/298124725.db2.gz LQNAQZIIGWYAEN-UHFFFAOYSA-N 1 1 348.403 0.806 20 5 ECBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000346200048 298238294 /nfs/dbraw/zinc/23/82/94/298238294.db2.gz QVWNGRMZCNPBLQ-BFHYXJOUSA-N 1 1 348.403 0.945 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362607196 300203380 /nfs/dbraw/zinc/20/33/80/300203380.db2.gz UDFOCTGQSQKPGI-CABCVRRESA-N 1 1 340.380 0.280 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362607196 300203383 /nfs/dbraw/zinc/20/33/83/300203383.db2.gz UDFOCTGQSQKPGI-CABCVRRESA-N 1 1 340.380 0.280 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000363239415 300255352 /nfs/dbraw/zinc/25/53/52/300255352.db2.gz VWVVIAZCRTWMQO-UHFFFAOYSA-N 1 1 337.380 0.505 20 5 ECBDMO CNC(=O)CN1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363443163 300265796 /nfs/dbraw/zinc/26/57/96/300265796.db2.gz YKLSCAHVQVXTEA-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000364524842 300364468 /nfs/dbraw/zinc/36/44/68/300364468.db2.gz RPOBQYPUTPMNIH-UHFFFAOYSA-N 1 1 339.396 0.821 20 5 ECBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000072561671 436049622 /nfs/dbraw/zinc/04/96/22/436049622.db2.gz AALKURWAIQRETG-DGCLKSJQSA-N 1 1 346.409 0.051 20 5 ECBDMO CCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075676433 436173119 /nfs/dbraw/zinc/17/31/19/436173119.db2.gz GVEBHSPSVGEKNH-JSGCOSHPSA-N 1 1 339.396 0.390 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000028016213 436186792 /nfs/dbraw/zinc/18/67/92/436186792.db2.gz VOIUBHXYJPUSQS-LBPRGKRZSA-N 1 1 338.364 0.370 20 5 ECBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076269563 436196449 /nfs/dbraw/zinc/19/64/49/436196449.db2.gz ZDSPHXYKYWJNQL-BETUJISGSA-N 1 1 349.439 0.962 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 ZINC000078522558 436271156 /nfs/dbraw/zinc/27/11/56/436271156.db2.gz SFWWXLFLWAMPOZ-LLVKDONJSA-N 1 1 347.375 0.724 20 5 ECBDMO CCC[N@H+](CC(=O)NC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000056508989 436592634 /nfs/dbraw/zinc/59/26/34/436592634.db2.gz GDCQSVLHSATCAQ-CYBMUJFWSA-N 1 1 325.365 0.793 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000108277624 436615484 /nfs/dbraw/zinc/61/54/84/436615484.db2.gz FISHRTBLCFGWPH-LLVKDONJSA-N 1 1 325.369 0.477 20 5 ECBDMO CN(C)C(=O)C(C)(C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000114457587 436641396 /nfs/dbraw/zinc/64/13/96/436641396.db2.gz BEIAJHXIGICWDI-UHFFFAOYSA-N 1 1 334.376 0.940 20 5 ECBDMO C[NH+]1CCN(CCCCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000541906727 302193796 /nfs/dbraw/zinc/19/37/96/302193796.db2.gz FXJLEMSNMUMPFK-UHFFFAOYSA-N 1 1 336.396 0.561 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548741140 302324382 /nfs/dbraw/zinc/32/43/82/302324382.db2.gz CZCVVTPYMLQZTI-AOOOYVTPSA-N 1 1 325.369 0.936 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000548741140 302324384 /nfs/dbraw/zinc/32/43/84/302324384.db2.gz CZCVVTPYMLQZTI-AOOOYVTPSA-N 1 1 325.369 0.936 20 5 ECBDMO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(-c2nc[nH]n2)no1 ZINC000120812192 436699160 /nfs/dbraw/zinc/69/91/60/436699160.db2.gz SERSJQCFUYSZRT-SNVBAGLBSA-N 1 1 347.339 0.946 20 5 ECBDMO NC(=O)C1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067374550 436712500 /nfs/dbraw/zinc/71/25/00/436712500.db2.gz PIJWCCGMXSRMOZ-CQSZACIVSA-N 1 1 332.360 0.897 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000139186044 436664777 /nfs/dbraw/zinc/66/47/77/436664777.db2.gz IWRYNAIPAONENM-SMDDNHRTSA-N 1 1 334.376 0.924 20 5 ECBDMO COC(=O)CN(C)C(=O)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153128874 436749056 /nfs/dbraw/zinc/74/90/56/436749056.db2.gz HQNKQKNMEIBUIK-UHFFFAOYSA-N 1 1 335.360 0.974 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000069499760 436776060 /nfs/dbraw/zinc/77/60/60/436776060.db2.gz FWNOUIAWXPCHNS-LBPRGKRZSA-N 1 1 325.369 0.408 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000274591963 436847961 /nfs/dbraw/zinc/84/79/61/436847961.db2.gz IBPJXXVCMZQXRA-NWDGAFQWSA-N 1 1 339.348 0.360 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274463133 436829035 /nfs/dbraw/zinc/82/90/35/436829035.db2.gz IBPJXXVCMZQXRA-RYUDHWBXSA-N 1 1 339.348 0.360 20 5 ECBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000293857564 436915602 /nfs/dbraw/zinc/91/56/02/436915602.db2.gz DLZOKUPYXMONBW-MRXNPFEDSA-N 1 1 334.376 0.701 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280724171 436916940 /nfs/dbraw/zinc/91/69/40/436916940.db2.gz IDZNKBXETHJAIR-XJKSGUPXSA-N 1 1 337.376 0.793 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135699859 436922755 /nfs/dbraw/zinc/92/27/55/436922755.db2.gz FDVLJNHIWQRPBU-ZDUSSCGKSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1 ZINC000135699859 436922760 /nfs/dbraw/zinc/92/27/60/436922760.db2.gz FDVLJNHIWQRPBU-ZDUSSCGKSA-N 1 1 343.409 0.291 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000133930696 436887876 /nfs/dbraw/zinc/88/78/76/436887876.db2.gz YQKBNXZPNCSEQB-NSHDSACASA-N 1 1 325.369 0.184 20 5 ECBDMO Cc1cn(CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)nc1[N+](=O)[O-] ZINC000281087206 436945596 /nfs/dbraw/zinc/94/55/96/436945596.db2.gz CPDUGYRQUUWCEI-ZDUSSCGKSA-N 1 1 339.396 0.573 20 5 ECBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000264492870 437036689 /nfs/dbraw/zinc/03/66/89/437036689.db2.gz WRBAKNUKQYBQGT-LLVKDONJSA-N 1 1 325.369 0.165 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000298113884 437028226 /nfs/dbraw/zinc/02/82/26/437028226.db2.gz XDDWPVZBSYBUGM-UHFFFAOYSA-N 1 1 338.364 0.952 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284705978 437063504 /nfs/dbraw/zinc/06/35/04/437063504.db2.gz KFFCVLKULJEUAJ-QWRGUYRKSA-N 1 1 337.380 0.986 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000264725602 437073393 /nfs/dbraw/zinc/07/33/93/437073393.db2.gz LXIRZERXVZHFNT-OAHLLOKOSA-N 1 1 335.408 0.682 20 5 ECBDMO CN(C)c1nc(N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)cc[nH+]1 ZINC000302156542 437141396 /nfs/dbraw/zinc/14/13/96/437141396.db2.gz MYILQUHKNVOGFL-UHFFFAOYSA-N 1 1 330.352 0.567 20 5 ECBDMO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000176479125 437144681 /nfs/dbraw/zinc/14/46/81/437144681.db2.gz CFVXSPJRBNWJCL-MRXNPFEDSA-N 1 1 337.376 0.716 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000175961978 437125828 /nfs/dbraw/zinc/12/58/28/437125828.db2.gz WXNAQWGGECVOKK-NXEZZACHSA-N 1 1 325.369 0.407 20 5 ECBDMO C[NH+]1CCC(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000177261839 437176458 /nfs/dbraw/zinc/17/64/58/437176458.db2.gz VQHRNZDVSDSLBE-UHFFFAOYSA-N 1 1 342.421 0.557 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000326877937 437235117 /nfs/dbraw/zinc/23/51/17/437235117.db2.gz WPMXFIOQRYDVOB-LBPRGKRZSA-N 1 1 336.348 0.244 20 5 ECBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000337257799 437343667 /nfs/dbraw/zinc/34/36/67/437343667.db2.gz UPCHORZPCQTSKI-OUCADQQQSA-N 1 1 335.360 0.545 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NC[C@H]2CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000183195308 437379821 /nfs/dbraw/zinc/37/98/21/437379821.db2.gz AEGLKFWSZRXNOE-GFCCVEGCSA-N 1 1 334.376 0.701 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000289128662 437384551 /nfs/dbraw/zinc/38/45/51/437384551.db2.gz RHLMKHWEYGPCSD-UHFFFAOYSA-N 1 1 338.412 0.408 20 5 ECBDMO CN(CCCN(C)c1ncc([N+](=O)[O-])cc1C(N)=O)CC[NH+](C)C ZINC000289128662 437384554 /nfs/dbraw/zinc/38/45/54/437384554.db2.gz RHLMKHWEYGPCSD-UHFFFAOYSA-N 1 1 338.412 0.408 20 5 ECBDMO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186661004 437481149 /nfs/dbraw/zinc/48/11/49/437481149.db2.gz IZDFZWNRFFCBSP-NSHDSACASA-N 1 1 338.389 0.693 20 5 ECBDMO CCN1CC[NH+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290431246 437486078 /nfs/dbraw/zinc/48/60/78/437486078.db2.gz AUAFSRDVRBTWIB-UHFFFAOYSA-N 1 1 336.396 0.528 20 5 ECBDMO C[C@H](O)C[N@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290007412 437456441 /nfs/dbraw/zinc/45/64/41/437456441.db2.gz ZOJKRYQOCXBEOL-VIFPVBQESA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@H](O)C[N@@H+](CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290007412 437456442 /nfs/dbraw/zinc/45/64/42/437456442.db2.gz ZOJKRYQOCXBEOL-VIFPVBQESA-N 1 1 331.756 0.862 20 5 ECBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187698605 437512187 /nfs/dbraw/zinc/51/21/87/437512187.db2.gz PZSSNQGYAJQGRW-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187698605 437512192 /nfs/dbraw/zinc/51/21/92/437512192.db2.gz PZSSNQGYAJQGRW-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[NH+](C)[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H]1O ZINC000359953481 437490725 /nfs/dbraw/zinc/49/07/25/437490725.db2.gz XANIUBVSSVZULK-MNOVXSKESA-N 1 1 329.378 0.109 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000343779146 437654980 /nfs/dbraw/zinc/65/49/80/437654980.db2.gz JCATXEOSNLDWLP-SNVBAGLBSA-N 1 1 336.348 0.898 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361554598 437671951 /nfs/dbraw/zinc/67/19/51/437671951.db2.gz ULBLFZCOFUYPLV-AWEZNQCLSA-N 1 1 341.389 0.566 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361554598 437671956 /nfs/dbraw/zinc/67/19/56/437671956.db2.gz ULBLFZCOFUYPLV-AWEZNQCLSA-N 1 1 341.389 0.566 20 5 ECBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292284993 437675256 /nfs/dbraw/zinc/67/52/56/437675256.db2.gz TWIWTQSQOPWXDI-UONOGXRCSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292284993 437675261 /nfs/dbraw/zinc/67/52/61/437675261.db2.gz TWIWTQSQOPWXDI-UONOGXRCSA-N 1 1 343.405 0.594 20 5 ECBDMO O=C(C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043296 437722216 /nfs/dbraw/zinc/72/22/16/437722216.db2.gz IJDWZAUTUIMMLJ-OPQQBVKSSA-N 1 1 349.343 0.965 20 5 ECBDMO O=C(C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000344043296 437722219 /nfs/dbraw/zinc/72/22/19/437722219.db2.gz IJDWZAUTUIMMLJ-OPQQBVKSSA-N 1 1 349.343 0.965 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000364925443 437826664 /nfs/dbraw/zinc/82/66/64/437826664.db2.gz ZHYHETCGHDHLII-GFCCVEGCSA-N 1 1 325.369 0.097 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000370582019 437807701 /nfs/dbraw/zinc/80/77/01/437807701.db2.gz HWAVXIFMHBHXBV-CYBMUJFWSA-N 1 1 349.391 0.126 20 5 ECBDMO COc1ccc(OCC[N@H+]2[C@@H](CO)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000347347469 437874318 /nfs/dbraw/zinc/87/43/18/437874318.db2.gz UDQXJMZOTYKZOM-TXEJJXNPSA-N 1 1 326.349 0.800 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371298120 437913803 /nfs/dbraw/zinc/91/38/03/437913803.db2.gz RKSFBHFTBXQWHS-JSGCOSHPSA-N 1 1 337.380 0.551 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371298120 437913809 /nfs/dbraw/zinc/91/38/09/437913809.db2.gz RKSFBHFTBXQWHS-JSGCOSHPSA-N 1 1 337.380 0.551 20 5 ECBDMO CN1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000365817741 437974397 /nfs/dbraw/zinc/97/43/97/437974397.db2.gz CJSJOGDKLGEQKN-CQSZACIVSA-N 1 1 347.375 0.975 20 5 ECBDMO O=C1NC(=O)[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]12 ZINC000366307457 438050500 /nfs/dbraw/zinc/05/05/00/438050500.db2.gz HJZRPEHUWKVMCO-KGLIPLIRSA-N 1 1 333.344 0.958 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000365958113 437997900 /nfs/dbraw/zinc/99/79/00/437997900.db2.gz GEROWVSEYFGUBP-NSHDSACASA-N 1 1 339.421 0.900 20 5 ECBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000348531287 438069985 /nfs/dbraw/zinc/06/99/85/438069985.db2.gz MEMMHOHRPMMBFN-MBNYWOFBSA-N 1 1 337.376 0.920 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO ZINC000373306007 438143668 /nfs/dbraw/zinc/14/36/68/438143668.db2.gz SXCYIIVNEVJCCF-OLZOCXBDSA-N 1 1 349.391 0.865 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358201132 438179904 /nfs/dbraw/zinc/17/99/04/438179904.db2.gz QLSOBMLNYRGOSY-CQSZACIVSA-N 1 1 343.405 0.123 20 5 ECBDMO Cc1nn(C)c(NCCCCN2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000358211318 438181596 /nfs/dbraw/zinc/18/15/96/438181596.db2.gz ONUHAAFVGREJBT-UHFFFAOYSA-N 1 1 340.428 0.439 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000358219040 438184481 /nfs/dbraw/zinc/18/44/81/438184481.db2.gz XBSMQGGQJDUEET-ZDUSSCGKSA-N 1 1 329.378 0.081 20 5 ECBDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000367971638 438269912 /nfs/dbraw/zinc/26/99/12/438269912.db2.gz DDNNERVAWHICAH-UHFFFAOYSA-N 1 1 342.421 0.909 20 5 ECBDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000367971638 438269918 /nfs/dbraw/zinc/26/99/18/438269918.db2.gz DDNNERVAWHICAH-UHFFFAOYSA-N 1 1 342.421 0.909 20 5 ECBDMO CNC(=O)c1ccc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419006365 438281543 /nfs/dbraw/zinc/28/15/43/438281543.db2.gz QEPLGNFXZLCRFJ-RYUDHWBXSA-N 1 1 336.392 0.846 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000367776385 438248761 /nfs/dbraw/zinc/24/87/61/438248761.db2.gz FBISMGUTZBWGQI-QWRGUYRKSA-N 1 1 349.343 0.707 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368594794 438352805 /nfs/dbraw/zinc/35/28/05/438352805.db2.gz XLNWTCBSQZWYRE-WFASDCNBSA-N 1 1 346.387 0.877 20 5 ECBDMO CN(C)c1nc(N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc[nH+]1 ZINC000352369589 438414149 /nfs/dbraw/zinc/41/41/49/438414149.db2.gz RMUJHMRHFLHNRV-UHFFFAOYSA-N 1 1 332.368 0.511 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)CCO1 ZINC000408053027 438500521 /nfs/dbraw/zinc/50/05/21/438500521.db2.gz NIEMDACBPUKHII-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO CCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000441526569 438587242 /nfs/dbraw/zinc/58/72/42/438587242.db2.gz QWNSHBFWQPSSLR-WCQYABFASA-N 1 1 325.369 0.143 20 5 ECBDMO C[C@H]([NH3+])C[C@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977583 438623621 /nfs/dbraw/zinc/62/36/21/438623621.db2.gz FWLPFNOYUAXRCC-QWRGUYRKSA-N 1 1 330.410 0.589 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000451664579 438704699 /nfs/dbraw/zinc/70/46/99/438704699.db2.gz OEJHAZDIYPHGHF-ZDUSSCGKSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000451664579 438704704 /nfs/dbraw/zinc/70/47/04/438704704.db2.gz OEJHAZDIYPHGHF-ZDUSSCGKSA-N 1 1 343.405 0.720 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000574771780 438720247 /nfs/dbraw/zinc/72/02/47/438720247.db2.gz WKVBODMFBVDIKU-SECBINFHSA-N 1 1 342.377 0.305 20 5 ECBDMO CNc1nc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000455507288 438747572 /nfs/dbraw/zinc/74/75/72/438747572.db2.gz FMGMWFBALOSUAG-UHFFFAOYSA-N 1 1 337.380 0.560 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000494805802 438709067 /nfs/dbraw/zinc/70/90/67/438709067.db2.gz ADCMTCOHLPWTAL-LBPRGKRZSA-N 1 1 333.348 0.898 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451757785 438712760 /nfs/dbraw/zinc/71/27/60/438712760.db2.gz JVOJPCULPOWJAJ-TZMCWYRMSA-N 1 1 339.348 0.624 20 5 ECBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860109 438844771 /nfs/dbraw/zinc/84/47/71/438844771.db2.gz DMOOYPYFYOUJDT-VXGBXAGGSA-N 1 1 345.359 0.752 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860109 438844783 /nfs/dbraw/zinc/84/47/83/438844783.db2.gz DMOOYPYFYOUJDT-VXGBXAGGSA-N 1 1 345.359 0.752 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861923 438845281 /nfs/dbraw/zinc/84/52/81/438845281.db2.gz YNWXNFAVEHXEEL-QWRGUYRKSA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861923 438845282 /nfs/dbraw/zinc/84/52/82/438845282.db2.gz YNWXNFAVEHXEEL-QWRGUYRKSA-N 1 1 337.380 0.552 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000588861923 438845286 /nfs/dbraw/zinc/84/52/86/438845286.db2.gz YNWXNFAVEHXEEL-QWRGUYRKSA-N 1 1 337.380 0.552 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595744031 438854192 /nfs/dbraw/zinc/85/41/92/438854192.db2.gz UNXBMTJKZSYDGP-UKRRQHHQSA-N 1 1 326.349 0.682 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458566927 438899173 /nfs/dbraw/zinc/89/91/73/438899173.db2.gz CKRLGSJPGJUUKB-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000458566927 438899176 /nfs/dbraw/zinc/89/91/76/438899176.db2.gz CKRLGSJPGJUUKB-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC(CO)(CO)C1 ZINC000595804756 438864338 /nfs/dbraw/zinc/86/43/38/438864338.db2.gz CYDNOGZZNSGXHK-GFCCVEGCSA-N 1 1 326.349 0.011 20 5 ECBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595851213 438870382 /nfs/dbraw/zinc/87/03/82/438870382.db2.gz POUKIECFXJKBEJ-TZMCWYRMSA-N 1 1 339.396 0.389 20 5 ECBDMO Nc1ccc(N2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc1[N+](=O)[O-] ZINC000596016364 438914533 /nfs/dbraw/zinc/91/45/33/438914533.db2.gz QSEPFOOSVOLDMJ-UHFFFAOYSA-N 1 1 344.379 0.651 20 5 ECBDMO C[NH+]1CCN(CC2CN(C(=O)COc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590399982 438917867 /nfs/dbraw/zinc/91/78/67/438917867.db2.gz NXSNXQAQQOBSIU-UHFFFAOYSA-N 1 1 348.403 0.679 20 5 ECBDMO [NH3+][C@@H]1CCC[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516877464 438931408 /nfs/dbraw/zinc/93/14/08/438931408.db2.gz GFCOVMUYRCAJIL-VXGBXAGGSA-N 1 1 342.421 0.733 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596130260 438931591 /nfs/dbraw/zinc/93/15/91/438931591.db2.gz ZOJPPGBUYRAMEI-UHFFFAOYSA-N 1 1 336.392 0.977 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596202176 438940794 /nfs/dbraw/zinc/94/07/94/438940794.db2.gz QRHJITLNTOCPTO-LLVKDONJSA-N 1 1 336.392 0.975 20 5 ECBDMO CC(C)[N@@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000565489947 438955897 /nfs/dbraw/zinc/95/58/97/438955897.db2.gz FCOCXVJVLFYICP-LBPRGKRZSA-N 1 1 336.352 0.650 20 5 ECBDMO C[C@@H]1NC(=O)N(CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1=O ZINC000459380579 438963013 /nfs/dbraw/zinc/96/30/13/438963013.db2.gz QKLWICGCVRZIRV-QWRGUYRKSA-N 1 1 348.363 0.416 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000602819125 439140518 /nfs/dbraw/zinc/14/05/18/439140518.db2.gz ZBUPOSWERKLXDP-LBPRGKRZSA-N 1 1 325.413 0.877 20 5 ECBDMO COC(=O)[C@@H]1CSCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602845779 439142659 /nfs/dbraw/zinc/14/26/59/439142659.db2.gz LRGUKIKKUQKCNJ-NSHDSACASA-N 1 1 328.394 0.938 20 5 ECBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592184947 439174300 /nfs/dbraw/zinc/17/43/00/439174300.db2.gz MWWVPXLRKFUWCC-NSHDSACASA-N 1 1 335.286 0.792 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998825 439178343 /nfs/dbraw/zinc/17/83/43/439178343.db2.gz NLFBMDAPSTUGPC-UHFFFAOYSA-N 1 1 345.407 0.750 20 5 ECBDMO O=C(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCC1 ZINC000581484054 439217906 /nfs/dbraw/zinc/21/79/06/439217906.db2.gz RSNFRNPHAKMMAP-UHFFFAOYSA-N 1 1 341.389 0.581 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(=O)N1CC[NH+](C)CC1 ZINC000604474701 439316997 /nfs/dbraw/zinc/31/69/97/439316997.db2.gz JJKDHQNSFMTLJA-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H](C)O)[C@H](C)CO)c1 ZINC000593024397 439329857 /nfs/dbraw/zinc/32/98/57/439329857.db2.gz IHIXZEXDEOSWBN-GHMZBOCLSA-N 1 1 326.349 0.945 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c1 ZINC000593024397 439329862 /nfs/dbraw/zinc/32/98/62/439329862.db2.gz IHIXZEXDEOSWBN-GHMZBOCLSA-N 1 1 326.349 0.945 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000604278249 439303867 /nfs/dbraw/zinc/30/38/67/439303867.db2.gz XWMOGHBCSRQVGI-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604278249 439303872 /nfs/dbraw/zinc/30/38/72/439303872.db2.gz XWMOGHBCSRQVGI-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC(CN3CC[NH+](C)CC3)C2)n1 ZINC000599109327 439359602 /nfs/dbraw/zinc/35/96/02/439359602.db2.gz UBBIISWSEDNWJI-UHFFFAOYSA-N 1 1 349.391 0.460 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC000593337944 439369424 /nfs/dbraw/zinc/36/94/24/439369424.db2.gz HEQADTRZABLBTP-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000599442776 439471083 /nfs/dbraw/zinc/47/10/83/439471083.db2.gz AWCOTSUMRRZQII-AWEZNQCLSA-N 1 1 349.347 0.466 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025181 439508460 /nfs/dbraw/zinc/50/84/60/439508460.db2.gz CQENTZLCXCCGDD-MJBXVCDLSA-N 1 1 337.376 0.085 20 5 ECBDMO O=C(CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000594027525 439508505 /nfs/dbraw/zinc/50/85/05/439508505.db2.gz QJVUPRHPYBQAQE-QWHCGFSZSA-N 1 1 334.376 0.674 20 5 ECBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591760 439580151 /nfs/dbraw/zinc/58/01/51/439580151.db2.gz JMTSHDUKCJMSEA-MXWKQRLJSA-N 1 1 337.380 0.998 20 5 ECBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591760 439580153 /nfs/dbraw/zinc/58/01/53/439580153.db2.gz JMTSHDUKCJMSEA-MXWKQRLJSA-N 1 1 337.380 0.998 20 5 ECBDMO CN1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682259 439600686 /nfs/dbraw/zinc/60/06/86/439600686.db2.gz KGEJNYFHOSCEPG-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594761357 439604447 /nfs/dbraw/zinc/60/44/47/439604447.db2.gz XIINUXWWRYCGQO-GHMZBOCLSA-N 1 1 328.394 0.951 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC1C[NH+](C)C1 ZINC000594847215 439629373 /nfs/dbraw/zinc/62/93/73/439629373.db2.gz PBUKJMZVHOYOFG-UHFFFAOYSA-N 1 1 329.378 0.786 20 5 ECBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000585803831 439654821 /nfs/dbraw/zinc/65/48/21/439654821.db2.gz DTOQBZPEWSYWOZ-HNNXBMFYSA-N 1 1 337.380 0.241 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CC(=O)N1CC[NH+](C)CC1 ZINC000611522512 439702334 /nfs/dbraw/zinc/70/23/34/439702334.db2.gz GEWXENRVTWOCCV-UHFFFAOYSA-N 1 1 336.392 0.809 20 5 ECBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808766 439705615 /nfs/dbraw/zinc/70/56/15/439705615.db2.gz PWAXRLBJILGVOW-ZDUSSCGKSA-N 1 1 332.360 0.801 20 5 ECBDMO Cc1noc(CN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000595399319 439721802 /nfs/dbraw/zinc/72/18/02/439721802.db2.gz ZGQGKYUWBMKEMU-GFCCVEGCSA-N 1 1 337.380 0.805 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000611165969 439676091 /nfs/dbraw/zinc/67/60/91/439676091.db2.gz PEBZVUXDARSFDL-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO CC1(C)CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614920865 439790279 /nfs/dbraw/zinc/79/02/79/439790279.db2.gz VKDGINQNRXYRLW-UHFFFAOYSA-N 1 1 336.392 0.922 20 5 ECBDMO O=C(NCCCCN1CC[NH+](CCO)CC1)c1ccc([N+](=O)[O-])o1 ZINC000340242302 321028357 /nfs/dbraw/zinc/02/83/57/321028357.db2.gz QYGDNLCNPJOSEU-UHFFFAOYSA-N 1 1 340.380 0.308 20 5 ECBDMO CC1(C)C[NH+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000580461693 322926804 /nfs/dbraw/zinc/92/68/04/322926804.db2.gz CMJAAHMTOQCTDV-UHFFFAOYSA-N 1 1 333.392 0.980 20 5 ECBDMO Cc1cccc(NCCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[nH+]1 ZINC000343669742 518190549 /nfs/dbraw/zinc/19/05/49/518190549.db2.gz VJTIHHSVULGLKZ-UHFFFAOYSA-N 1 1 331.332 0.688 20 5 ECBDMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000025791249 545662885 /nfs/dbraw/zinc/66/28/85/545662885.db2.gz HCKRNSDQTQTPRF-UHFFFAOYSA-N 1 1 342.783 0.797 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(Cl)c1 ZINC000236050426 545926390 /nfs/dbraw/zinc/92/63/90/545926390.db2.gz QYVHRAVQIGGOQS-QMMMGPOBSA-N 1 1 335.769 0.515 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000619478652 546332438 /nfs/dbraw/zinc/33/24/38/546332438.db2.gz GYDWOBJQIAAIDL-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000753951602 579409872 /nfs/dbraw/zinc/40/98/72/579409872.db2.gz XOJFEKAMTIIAOT-CYBMUJFWSA-N 1 1 326.353 0.834 20 5 ECBDMO COCC[N@H+]1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737006366 578472700 /nfs/dbraw/zinc/47/27/00/578472700.db2.gz HAQWTWCDIUKTPH-LLVKDONJSA-N 1 1 333.352 0.908 20 5 ECBDMO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC000768767343 579131319 /nfs/dbraw/zinc/13/13/19/579131319.db2.gz FBUGNLDMJVTZAL-BBRMVZONSA-N 1 1 348.403 0.556 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593088 579285502 /nfs/dbraw/zinc/28/55/02/579285502.db2.gz VZICOTJYWKRIRM-JKSUJKDBSA-N 1 1 339.392 0.253 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000762556777 579543973 /nfs/dbraw/zinc/54/39/73/579543973.db2.gz VFEYTMTZUPMPTB-CYBMUJFWSA-N 1 1 347.368 0.387 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840502598 586420816 /nfs/dbraw/zinc/42/08/16/586420816.db2.gz BUZBJJJVCBRVMC-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840502598 586420819 /nfs/dbraw/zinc/42/08/19/586420819.db2.gz BUZBJJJVCBRVMC-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000900800808 586668993 /nfs/dbraw/zinc/66/89/93/586668993.db2.gz DUTLZJCPCBHWOT-DGCLKSJQSA-N 1 1 338.412 0.277 20 5 ECBDMO C[C@@H](C[NH2+]C[C@@H](O)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000905644937 586908247 /nfs/dbraw/zinc/90/82/47/586908247.db2.gz UUMMKBLGIZWYBG-LSDHHAIUSA-N 1 1 336.436 0.896 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000840180137 587179016 /nfs/dbraw/zinc/17/90/16/587179016.db2.gz VYCBFZUXMAKBEP-SNVBAGLBSA-N 1 1 334.332 0.870 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000840180137 587179017 /nfs/dbraw/zinc/17/90/17/587179017.db2.gz VYCBFZUXMAKBEP-SNVBAGLBSA-N 1 1 334.332 0.870 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821691576 587623319 /nfs/dbraw/zinc/62/33/19/587623319.db2.gz ZRTNBAXNVXOLNH-JTQLQIEISA-N 1 1 348.367 0.693 20 5 ECBDMO COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821691387 587623623 /nfs/dbraw/zinc/62/36/23/587623623.db2.gz SGUOOGHWDFBBFB-UHFFFAOYSA-N 1 1 347.379 0.933 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@](C)(O)c1ccccc1 ZINC000823592349 587732564 /nfs/dbraw/zinc/73/25/64/587732564.db2.gz RAMNOSIXAUFQKZ-HOTGVXAUSA-N 1 1 334.376 0.992 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709179 587957303 /nfs/dbraw/zinc/95/73/03/587957303.db2.gz QOYGJRIQIAJXKP-LSDHHAIUSA-N 1 1 337.376 0.855 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CN2CC[C@H](c3ccc([N+](=O)[O-])cc3)C2=O)C1 ZINC000848488461 589297394 /nfs/dbraw/zinc/29/73/94/589297394.db2.gz CATKMVUZYIEZLZ-UKRRQHHQSA-N 1 1 346.387 0.936 20 5 ECBDMO O=C(Cn1ncc([N+](=O)[O-])n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000863374308 590009839 /nfs/dbraw/zinc/00/98/39/590009839.db2.gz MIFYGSXKGUHAFI-UHFFFAOYSA-N 1 1 330.348 0.531 20 5 ECBDMO Cc1ccc(CNC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000876169177 590364118 /nfs/dbraw/zinc/36/41/18/590364118.db2.gz ONTNEGIDFQXHHJ-UONOGXRCSA-N 1 1 334.376 0.864 20 5 ECBDMO C[N@@H+](Cc1cccnc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000886039714 590787860 /nfs/dbraw/zinc/78/78/60/590787860.db2.gz OQFZLUODDTVZIU-UHFFFAOYSA-N 1 1 328.394 0.846 20 5 ECBDMO CCOc1cc(N2CC[NH+](C[C@@H](O)CO)CC2)ccc1[N+](=O)[O-] ZINC000930284704 611408682 /nfs/dbraw/zinc/40/86/82/611408682.db2.gz AKMHICNPBZXBOZ-CYBMUJFWSA-N 1 1 325.365 0.469 20 5 ECBDMO CCOc1cc(N2CC[NH+](C[C@@H](O)[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000930285276 611408925 /nfs/dbraw/zinc/40/89/25/611408925.db2.gz QBWGMBGHRJAIDV-SWLSCSKDSA-N 1 1 339.392 0.857 20 5 ECBDMO C[C@@H]1[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[N@H+]1C ZINC000925316161 611467847 /nfs/dbraw/zinc/46/78/47/611467847.db2.gz XBQFDZWOLIGVQS-OCCSQVGLSA-N 1 1 348.407 0.914 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928095677 608676011 /nfs/dbraw/zinc/67/60/11/608676011.db2.gz VESJZGXPWFPLGT-QWRGUYRKSA-N 1 1 339.421 0.946 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928095677 608676013 /nfs/dbraw/zinc/67/60/13/608676013.db2.gz VESJZGXPWFPLGT-QWRGUYRKSA-N 1 1 339.421 0.946 20 5 ECBDMO COCC[NH+]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000915281813 609908810 /nfs/dbraw/zinc/90/88/10/609908810.db2.gz XMKRCDZJWZRTGE-UHFFFAOYSA-N 1 1 347.375 0.735 20 5 ECBDMO Cc1cc(OCC(=O)N(C)CC[N@@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000912604969 609976382 /nfs/dbraw/zinc/97/63/82/609976382.db2.gz YIQGFPGRKRZZED-UHFFFAOYSA-N 1 1 325.365 0.665 20 5 ECBDMO CN(C(=O)C[NH+]1CCCC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000953951026 612484553 /nfs/dbraw/zinc/48/45/53/612484553.db2.gz LAAUHORRKIEOPB-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(CCNC(=O)c2ncn[nH]2)CC1 ZINC001167483453 734866047 /nfs/dbraw/zinc/86/60/47/734866047.db2.gz CMEHEUKOYRENLS-UHFFFAOYSA-N 1 1 348.367 0.136 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CC1(CCNC(=O)c2nc[nH]n2)CC1 ZINC001167483453 734866049 /nfs/dbraw/zinc/86/60/49/734866049.db2.gz CMEHEUKOYRENLS-UHFFFAOYSA-N 1 1 348.367 0.136 20 5 ECBDMO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775617 739944426 /nfs/dbraw/zinc/94/44/26/739944426.db2.gz IZZTWOKAJDHOMI-LJIZCISZSA-N 1 1 331.372 0.907 20 5 ECBDMO COc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775617 739944429 /nfs/dbraw/zinc/94/44/29/739944429.db2.gz IZZTWOKAJDHOMI-LJIZCISZSA-N 1 1 331.372 0.907 20 5 ECBDMO COc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775617 739944432 /nfs/dbraw/zinc/94/44/32/739944432.db2.gz IZZTWOKAJDHOMI-LJIZCISZSA-N 1 1 331.372 0.907 20 5 ECBDMO CC(C)(C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1)[NH+]1CCCC1 ZINC000974115687 740958105 /nfs/dbraw/zinc/95/81/05/740958105.db2.gz QDJZAECWDCKVSH-YVECIDJPSA-N 1 1 338.408 0.289 20 5 ECBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000982278652 751851159 /nfs/dbraw/zinc/85/11/59/751851159.db2.gz MUQZACCAPMCFHY-XOUADPBQSA-N 1 1 348.407 0.114 20 5 ECBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCn1cncn1)C2 ZINC000982278652 751851169 /nfs/dbraw/zinc/85/11/69/751851169.db2.gz MUQZACCAPMCFHY-XOUADPBQSA-N 1 1 348.407 0.114 20 5 ECBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000982278652 751851178 /nfs/dbraw/zinc/85/11/78/751851178.db2.gz MUQZACCAPMCFHY-XOUADPBQSA-N 1 1 348.407 0.114 20 5 ECBDMO CCc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126939209 756805381 /nfs/dbraw/zinc/80/53/81/756805381.db2.gz RWCFBRPOQDRMIX-ZIAGYGMSSA-N 1 1 334.376 0.559 20 5 ECBDMO CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1 ZINC001126939248 756807100 /nfs/dbraw/zinc/80/71/00/756807100.db2.gz UEBDGYAQAUMNHA-HUUCEWRRSA-N 1 1 348.403 0.799 20 5 ECBDMO Cc1nccnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC001050516430 760411798 /nfs/dbraw/zinc/41/17/98/760411798.db2.gz BBAKBVVRJQBXHI-UKRRQHHQSA-N 1 1 345.403 0.875 20 5 ECBDMO Cn1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cn1 ZINC001050516422 760412143 /nfs/dbraw/zinc/41/21/43/760412143.db2.gz AMWLQCAAGPDVEQ-ZIAGYGMSSA-N 1 1 333.392 0.510 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc3nonc3c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140118 772208333 /nfs/dbraw/zinc/20/83/33/772208333.db2.gz ZLUZYXMWDLQCCG-ZHSDAYTOSA-N 1 1 331.332 0.625 20 5 ECBDMO CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001070963256 784241889 /nfs/dbraw/zinc/24/18/89/784241889.db2.gz JILQYBWGYCIFOZ-CHWSQXEVSA-N 1 1 326.397 0.102 20 5 ECBDMO CN(CCCN(C)C(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067388977 793076136 /nfs/dbraw/zinc/07/61/36/793076136.db2.gz NYHJSGPNYOZVCO-CHWSQXEVSA-N 1 1 340.424 0.300 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000428510892 210265056 /nfs/dbraw/zinc/26/50/56/210265056.db2.gz OBCHLQXDXQAIHV-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000427911990 210231453 /nfs/dbraw/zinc/23/14/53/210231453.db2.gz GVBRPPQPFCTYEW-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1COc2ccccc2O1 ZINC000174710828 529961817 /nfs/dbraw/zinc/96/18/17/529961817.db2.gz HIZTWFJEBZLBDS-KBPBESRZSA-N 1 1 348.359 0.924 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c1 ZINC000425550934 210071618 /nfs/dbraw/zinc/07/16/18/210071618.db2.gz PSKNUBBNRVTXFV-YPMHNXCESA-N 1 1 333.348 0.942 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000186847090 236040257 /nfs/dbraw/zinc/04/02/57/236040257.db2.gz ICVISWHZYXWCMZ-CYBMUJFWSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000186940598 236072073 /nfs/dbraw/zinc/07/20/73/236072073.db2.gz ZYTYXQRZLVQKQA-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000186940598 236072075 /nfs/dbraw/zinc/07/20/75/236072075.db2.gz ZYTYXQRZLVQKQA-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000189709471 237168100 /nfs/dbraw/zinc/16/81/00/237168100.db2.gz PPIUXGZLIBUHEI-NSHDSACASA-N 1 1 325.369 0.015 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000191827031 239321283 /nfs/dbraw/zinc/32/12/83/239321283.db2.gz FHFLQCLCRPUAMQ-GHMZBOCLSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1 ZINC000191827031 239321286 /nfs/dbraw/zinc/32/12/86/239321286.db2.gz FHFLQCLCRPUAMQ-GHMZBOCLSA-N 1 1 325.369 0.338 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000193572783 240217432 /nfs/dbraw/zinc/21/74/32/240217432.db2.gz NHSQHWKLQDTDHW-GFCCVEGCSA-N 1 1 335.408 0.912 20 5 ECBDMO Cc1c(CNC(=O)C(=O)NCC(F)(F)C[NH3+])cccc1[N+](=O)[O-] ZINC000419757414 209198593 /nfs/dbraw/zinc/19/85/93/209198593.db2.gz IBXCYIPXYWTHHK-UHFFFAOYSA-N 1 1 330.291 0.230 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000450952224 211352976 /nfs/dbraw/zinc/35/29/76/211352976.db2.gz HMWPGGORQHWIAL-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000450952224 211352981 /nfs/dbraw/zinc/35/29/81/211352981.db2.gz HMWPGGORQHWIAL-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO NC(=O)C[C@@H]1COCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411885452 208159146 /nfs/dbraw/zinc/15/91/46/208159146.db2.gz XXPCJKGIRKWMHB-CYBMUJFWSA-N 1 1 336.348 0.500 20 5 ECBDMO NC(=O)C[C@@H]1COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411885452 208159152 /nfs/dbraw/zinc/15/91/52/208159152.db2.gz XXPCJKGIRKWMHB-CYBMUJFWSA-N 1 1 336.348 0.500 20 5 ECBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000413495672 208335119 /nfs/dbraw/zinc/33/51/19/208335119.db2.gz JBOQNKBCJZALOF-NSHDSACASA-N 1 1 325.369 0.661 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413901239 208370886 /nfs/dbraw/zinc/37/08/86/208370886.db2.gz LYOHFTSYIMKEIC-ZDUSSCGKSA-N 1 1 335.360 0.701 20 5 ECBDMO C[NH+](C)C1(CNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000416289112 208616086 /nfs/dbraw/zinc/61/60/86/208616086.db2.gz IHNQQGGHWQGZKF-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC000181380307 164942281 /nfs/dbraw/zinc/94/22/81/164942281.db2.gz VAZBECMTVWWAGN-OAHLLOKOSA-N 1 1 344.375 0.913 20 5 ECBDMO O=[N+]([O-])c1ccc(OC2CN(C[C@H](O)C[NH+]3CCOCC3)C2)cc1 ZINC000189462242 165011211 /nfs/dbraw/zinc/01/12/11/165011211.db2.gz KOIIEVDAURPSAF-CQSZACIVSA-N 1 1 337.376 0.351 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)CCO1 ZINC000193666853 165057352 /nfs/dbraw/zinc/05/73/52/165057352.db2.gz WACNUTXFSIAPLU-LBPRGKRZSA-N 1 1 337.380 0.503 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000246174985 165124828 /nfs/dbraw/zinc/12/48/28/165124828.db2.gz GBVNTOXCQWGEGA-MGPQQGTHSA-N 1 1 326.353 0.032 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000246174985 165124830 /nfs/dbraw/zinc/12/48/30/165124830.db2.gz GBVNTOXCQWGEGA-MGPQQGTHSA-N 1 1 326.353 0.032 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000246798079 165143098 /nfs/dbraw/zinc/14/30/98/165143098.db2.gz SNURYBWVCPSVGF-GXTWGEPZSA-N 1 1 335.368 0.156 20 5 ECBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000262064329 165284133 /nfs/dbraw/zinc/28/41/33/165284133.db2.gz WCWKQRXZMWASIL-LBPRGKRZSA-N 1 1 346.347 0.368 20 5 ECBDMO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCCC1 ZINC000419377788 209073946 /nfs/dbraw/zinc/07/39/46/209073946.db2.gz QPDPOOVRAXMUKE-AWEZNQCLSA-N 1 1 325.413 0.958 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCCC1 ZINC000419377788 209073949 /nfs/dbraw/zinc/07/39/49/209073949.db2.gz QPDPOOVRAXMUKE-AWEZNQCLSA-N 1 1 325.413 0.958 20 5 ECBDMO Cn1c[nH+]cc1CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000302127618 296895727 /nfs/dbraw/zinc/89/57/27/296895727.db2.gz IYRLMNOHKBTLCE-UHFFFAOYSA-N 1 1 325.350 0.630 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000269386878 263180816 /nfs/dbraw/zinc/18/08/16/263180816.db2.gz QLVLDUHNNPMYLR-UHFFFAOYSA-N 1 1 338.412 0.761 20 5 ECBDMO CCc1[nH]nc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000271003698 263292560 /nfs/dbraw/zinc/29/25/60/263292560.db2.gz GEOLYEXZOMUXBY-VHSXEESVSA-N 1 1 327.410 0.998 20 5 ECBDMO C[N@@H+](Cc1ccccc1)C1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000284943791 264260470 /nfs/dbraw/zinc/26/04/70/264260470.db2.gz DAGGUFVCSNNTDQ-QGZVFWFLSA-N 1 1 345.403 0.968 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839913 264343330 /nfs/dbraw/zinc/34/33/30/264343330.db2.gz PTLOWLFDYXNGIZ-QWRGUYRKSA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839913 264343332 /nfs/dbraw/zinc/34/33/32/264343332.db2.gz PTLOWLFDYXNGIZ-QWRGUYRKSA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839913 264343333 /nfs/dbraw/zinc/34/33/33/264343333.db2.gz PTLOWLFDYXNGIZ-QWRGUYRKSA-N 1 1 337.380 0.986 20 5 ECBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413984 264395733 /nfs/dbraw/zinc/39/57/33/264395733.db2.gz KEQBWNXFXZPFHK-JSGCOSHPSA-N 1 1 339.396 0.533 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412268811 276132760 /nfs/dbraw/zinc/13/27/60/276132760.db2.gz KMYAYKQMOLVCQN-UHFFFAOYSA-N 1 1 343.355 0.715 20 5 ECBDMO CC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1C[C@H](C)O ZINC000246759563 288259440 /nfs/dbraw/zinc/25/94/40/288259440.db2.gz HQBGIVWQFMQFPW-RYUDHWBXSA-N 1 1 325.369 0.095 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](CC)CC1 ZINC000330793132 437617278 /nfs/dbraw/zinc/61/72/78/437617278.db2.gz CGEZKENTHANZHZ-GFCCVEGCSA-N 1 1 338.412 0.991 20 5 ECBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1C1CCN(C)CC1 ZINC000332159506 297010085 /nfs/dbraw/zinc/01/00/85/297010085.db2.gz QJUCLCBDNRQDEG-CQSZACIVSA-N 1 1 336.440 0.892 20 5 ECBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCN1C1CC[NH+](C)CC1 ZINC000332159506 297010087 /nfs/dbraw/zinc/01/00/87/297010087.db2.gz QJUCLCBDNRQDEG-CQSZACIVSA-N 1 1 336.440 0.892 20 5 ECBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 ZINC000345569091 298169322 /nfs/dbraw/zinc/16/93/22/298169322.db2.gz PUTNFXAYZORIQS-JTQLQIEISA-N 1 1 345.377 0.379 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177898 298233301 /nfs/dbraw/zinc/23/33/01/298233301.db2.gz AKOKSKAZLIZSTK-AAEUAGOBSA-N 1 1 348.363 0.902 20 5 ECBDMO C[C@H]1C[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1CO ZINC000362087259 300161364 /nfs/dbraw/zinc/16/13/64/300161364.db2.gz AVZGSMODLXLQRU-UWVGGRQHSA-N 1 1 337.332 0.822 20 5 ECBDMO C[C@H]1C[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C[C@H]1CO ZINC000362087259 300161366 /nfs/dbraw/zinc/16/13/66/300161366.db2.gz AVZGSMODLXLQRU-UWVGGRQHSA-N 1 1 337.332 0.822 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362607197 300203290 /nfs/dbraw/zinc/20/32/90/300203290.db2.gz UDFOCTGQSQKPGI-GJZGRUSLSA-N 1 1 340.380 0.280 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@H](COCC3CC3)C2)c1 ZINC000362607197 300203292 /nfs/dbraw/zinc/20/32/92/300203292.db2.gz UDFOCTGQSQKPGI-GJZGRUSLSA-N 1 1 340.380 0.280 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363104348 300246887 /nfs/dbraw/zinc/24/68/87/300246887.db2.gz OHXYCZGZVIIHIL-UKRRQHHQSA-N 1 1 335.360 0.953 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363876437 300302381 /nfs/dbraw/zinc/30/23/81/300302381.db2.gz QHHFQBGHGVGWKZ-SNVBAGLBSA-N 1 1 337.405 0.835 20 5 ECBDMO CC(C)(O)C[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000364598371 300371776 /nfs/dbraw/zinc/37/17/76/300371776.db2.gz IDHDBRDTFFJPPX-UHFFFAOYSA-N 1 1 338.408 0.535 20 5 ECBDMO CN(c1ncc([N+](=O)[O-])cn1)C1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000368349628 300661614 /nfs/dbraw/zinc/66/16/14/300661614.db2.gz SSIJPZWVGQVDHA-UHFFFAOYSA-N 1 1 348.407 0.908 20 5 ECBDMO CCCN1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072630348 436049442 /nfs/dbraw/zinc/04/94/42/436049442.db2.gz GTHCIXFLURNIKM-HNNXBMFYSA-N 1 1 325.413 0.958 20 5 ECBDMO CCCN1CCC([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072630348 436049445 /nfs/dbraw/zinc/04/94/45/436049445.db2.gz GTHCIXFLURNIKM-HNNXBMFYSA-N 1 1 325.413 0.958 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000074137376 436107232 /nfs/dbraw/zinc/10/72/32/436107232.db2.gz NOSVGVBVXUDVON-VOTSOKGWSA-N 1 1 346.387 0.888 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000371994229 300960976 /nfs/dbraw/zinc/96/09/76/300960976.db2.gz JNAGXYRSCROLBF-ZIAGYGMSSA-N 1 1 337.380 0.551 20 5 ECBDMO CS(=O)(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055241 436384786 /nfs/dbraw/zinc/38/47/86/436384786.db2.gz XHMWSXJDLABMPX-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO CS(=O)(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000046055241 436384789 /nfs/dbraw/zinc/38/47/89/436384789.db2.gz XHMWSXJDLABMPX-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000047975057 436434982 /nfs/dbraw/zinc/43/49/82/436434982.db2.gz GAXRUAQZXQGLNH-HNNXBMFYSA-N 1 1 346.387 0.973 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091482588 436449972 /nfs/dbraw/zinc/44/99/72/436449972.db2.gz AWZHLAJQTTVVLQ-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194916570 436673739 /nfs/dbraw/zinc/67/37/39/436673739.db2.gz DQLNAZCMULPNQI-TXEJJXNPSA-N 1 1 332.360 0.862 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000195164394 436681505 /nfs/dbraw/zinc/68/15/05/436681505.db2.gz DIBQJPSQNCXFMO-UHFFFAOYSA-N 1 1 338.393 0.880 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068242564 436738222 /nfs/dbraw/zinc/73/82/22/436738222.db2.gz VYTLVEUKQGWRFM-UHFFFAOYSA-N 1 1 325.369 0.280 20 5 ECBDMO NS(=O)(=O)c1cccc(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000273456699 436757217 /nfs/dbraw/zinc/75/72/17/436757217.db2.gz HJCXROPMNSMICL-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO CC[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000153586642 436760995 /nfs/dbraw/zinc/76/09/95/436760995.db2.gz HSRYUOSMENAHFG-AAEUAGOBSA-N 1 1 347.366 0.814 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000128091789 436810599 /nfs/dbraw/zinc/81/05/99/436810599.db2.gz QNAUVKJMMXVQIY-GFCCVEGCSA-N 1 1 338.412 0.099 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000274525330 436838910 /nfs/dbraw/zinc/83/89/10/436838910.db2.gz ZAMWZDAYRKVORY-UHFFFAOYSA-N 1 1 338.364 0.272 20 5 ECBDMO NS(=O)(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000280233772 436874536 /nfs/dbraw/zinc/87/45/36/436874536.db2.gz LUDKPUYRERUBFK-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000249543467 436823548 /nfs/dbraw/zinc/82/35/48/436823548.db2.gz FQFPWCDYURVYRJ-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000249543467 436823551 /nfs/dbraw/zinc/82/35/51/436823551.db2.gz FQFPWCDYURVYRJ-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000162486204 436906742 /nfs/dbraw/zinc/90/67/42/436906742.db2.gz WPDMJGPWBSYOLG-CQSZACIVSA-N 1 1 336.396 0.030 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000275174697 436935562 /nfs/dbraw/zinc/93/55/62/436935562.db2.gz USIYAELNUWYBGG-UHFFFAOYSA-N 1 1 330.291 0.425 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000275193139 436938773 /nfs/dbraw/zinc/93/87/73/436938773.db2.gz GCCAAVFTDNNCNM-ZJUUUORDSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000275193139 436938774 /nfs/dbraw/zinc/93/87/74/436938774.db2.gz GCCAAVFTDNNCNM-ZJUUUORDSA-N 1 1 325.369 0.164 20 5 ECBDMO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000298076578 437024878 /nfs/dbraw/zinc/02/48/78/437024878.db2.gz LKKWRPYLCDKIHN-UHFFFAOYSA-N 1 1 336.801 0.734 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000298111841 437028152 /nfs/dbraw/zinc/02/81/52/437028152.db2.gz OIWOWUPGTXPSGL-AWEZNQCLSA-N 1 1 335.408 0.567 20 5 ECBDMO Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc([N+](=O)[O-])c1 ZINC000264482571 437036828 /nfs/dbraw/zinc/03/68/28/437036828.db2.gz IAYIHRNAPHVYRU-CQSZACIVSA-N 1 1 334.376 0.973 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000264453338 437032147 /nfs/dbraw/zinc/03/21/47/437032147.db2.gz DDDHGZHJYVZCSP-NSHDSACASA-N 1 1 341.339 0.950 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000275627489 436993043 /nfs/dbraw/zinc/99/30/43/436993043.db2.gz UWIRTCQLZHHMSC-ZDUSSCGKSA-N 1 1 340.376 0.808 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000172025236 436997881 /nfs/dbraw/zinc/99/78/81/436997881.db2.gz KTZWYBUGZFGZMX-AATRIKPKSA-N 1 1 346.387 0.888 20 5 ECBDMO COCC[N@@H+](C)CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000298464776 437038458 /nfs/dbraw/zinc/03/84/58/437038458.db2.gz NGLLGUDAVLQLPP-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO NS(=O)(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173463438 437052863 /nfs/dbraw/zinc/05/28/63/437052863.db2.gz JJBPUJAKKNPXJS-JTQLQIEISA-N 1 1 329.382 0.155 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000299245797 437059947 /nfs/dbraw/zinc/05/99/47/437059947.db2.gz WYAQRNDLRDGIDI-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000299245797 437059952 /nfs/dbraw/zinc/05/99/52/437059952.db2.gz WYAQRNDLRDGIDI-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302347754 437144589 /nfs/dbraw/zinc/14/45/89/437144589.db2.gz BCTBTXGHGSBRMJ-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO C[C@@H]1CN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302347754 437144592 /nfs/dbraw/zinc/14/45/92/437144592.db2.gz BCTBTXGHGSBRMJ-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])n1 ZINC000331715475 437150341 /nfs/dbraw/zinc/15/03/41/437150341.db2.gz HREHTOSAGKAFQY-GHMZBOCLSA-N 1 1 343.409 0.716 20 5 ECBDMO COC(=O)c1cnc(N2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000276827466 437164803 /nfs/dbraw/zinc/16/48/03/437164803.db2.gz URBOHROJOXVDKK-UHFFFAOYSA-N 1 1 346.347 0.837 20 5 ECBDMO C[N@H+]1CCCC[C@H]1CN1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176236183 437136422 /nfs/dbraw/zinc/13/64/22/437136422.db2.gz ZJASJFJUIGEFGB-HNNXBMFYSA-N 1 1 336.440 0.893 20 5 ECBDMO Nc1c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910465 437235193 /nfs/dbraw/zinc/23/51/93/437235193.db2.gz NVNYQKQDPGLIOF-QWRGUYRKSA-N 1 1 338.339 0.909 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@@H](CC)C2)c1[N+](=O)[O-] ZINC000182738678 437359653 /nfs/dbraw/zinc/35/96/53/437359653.db2.gz OKXGYKBDCSSCAQ-MNOVXSKESA-N 1 1 339.396 0.798 20 5 ECBDMO O=c1nc([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)[nH][nH]1 ZINC000289406198 437406939 /nfs/dbraw/zinc/40/69/39/437406939.db2.gz LJHFPXMBYABFGC-WCQYABFASA-N 1 1 333.348 0.919 20 5 ECBDMO CC[N@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338174819 437398205 /nfs/dbraw/zinc/39/82/05/437398205.db2.gz KYZYGGDQSGLWOY-UHFFFAOYSA-N 1 1 329.378 0.680 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000338174819 437398210 /nfs/dbraw/zinc/39/82/10/437398210.db2.gz KYZYGGDQSGLWOY-UHFFFAOYSA-N 1 1 329.378 0.680 20 5 ECBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@@H+]1CCO ZINC000343034518 437486902 /nfs/dbraw/zinc/48/69/02/437486902.db2.gz AVDFRJRPGFSOKA-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC[N@H+]1CCO ZINC000343034518 437486905 /nfs/dbraw/zinc/48/69/05/437486905.db2.gz AVDFRJRPGFSOKA-SNVBAGLBSA-N 1 1 333.348 0.746 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000290540489 437498998 /nfs/dbraw/zinc/49/89/98/437498998.db2.gz DGAPFJKONFLZDL-UHFFFAOYSA-N 1 1 326.401 0.133 20 5 ECBDMO CN(CCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1)CC[NH+](C)C ZINC000290540489 437499002 /nfs/dbraw/zinc/49/90/02/437499002.db2.gz DGAPFJKONFLZDL-UHFFFAOYSA-N 1 1 326.401 0.133 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000330450180 437516253 /nfs/dbraw/zinc/51/62/53/437516253.db2.gz IPPODPLHMAHRJG-LLVKDONJSA-N 1 1 345.425 0.774 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000330657285 437580774 /nfs/dbraw/zinc/58/07/74/437580774.db2.gz VSQMFQXNYSTNKY-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@H](C)C1 ZINC000330657285 437580777 /nfs/dbraw/zinc/58/07/77/437580777.db2.gz VSQMFQXNYSTNKY-LLVKDONJSA-N 1 1 338.364 0.643 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000191760031 437653535 /nfs/dbraw/zinc/65/35/35/437653535.db2.gz ZLRVTGPONJIMPW-GFCCVEGCSA-N 1 1 339.396 0.898 20 5 ECBDMO O=C(NCC1CC[NH+](CCO)CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000340551126 437689443 /nfs/dbraw/zinc/68/94/43/437689443.db2.gz OPLVQGMJELYWCR-UHFFFAOYSA-N 1 1 347.375 0.905 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)n1 ZINC000356530447 437779078 /nfs/dbraw/zinc/77/90/78/437779078.db2.gz RWXMIONWITVSDA-UHFFFAOYSA-N 1 1 340.428 0.767 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)CC[NH+](C)C)n1 ZINC000356530447 437779080 /nfs/dbraw/zinc/77/90/80/437779080.db2.gz RWXMIONWITVSDA-UHFFFAOYSA-N 1 1 340.428 0.767 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])NC1CCC([NH+]2CCNCC2)CC1 ZINC000415379741 437794560 /nfs/dbraw/zinc/79/45/60/437794560.db2.gz FRSHOMLPIWLPMB-UHFFFAOYSA-N 1 1 348.407 0.750 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002707 437867754 /nfs/dbraw/zinc/86/77/54/437867754.db2.gz BZGIGQXCPPPOCS-ZIAGYGMSSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002707 437867757 /nfs/dbraw/zinc/86/77/57/437867757.db2.gz BZGIGQXCPPPOCS-ZIAGYGMSSA-N 1 1 348.359 0.597 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000371261188 437904931 /nfs/dbraw/zinc/90/49/31/437904931.db2.gz VVDWROIPRHKOTD-GHMZBOCLSA-N 1 1 337.380 0.863 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000371261188 437904937 /nfs/dbraw/zinc/90/49/37/437904937.db2.gz VVDWROIPRHKOTD-GHMZBOCLSA-N 1 1 337.380 0.863 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416497389 437947571 /nfs/dbraw/zinc/94/75/71/437947571.db2.gz SVAWYYFJOOXIPF-SNVBAGLBSA-N 1 1 329.378 0.833 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365869502 437982186 /nfs/dbraw/zinc/98/21/86/437982186.db2.gz NBQHWDKREKSDNN-GFCCVEGCSA-N 1 1 339.421 0.749 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000358041866 438129795 /nfs/dbraw/zinc/12/97/95/438129795.db2.gz GGIVRAZDGTUCDK-MRXNPFEDSA-N 1 1 332.360 0.801 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111404 438166603 /nfs/dbraw/zinc/16/66/03/438166603.db2.gz XBNCJBUUSURUSU-ZYHUDNBSSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111404 438166605 /nfs/dbraw/zinc/16/66/05/438166605.db2.gz XBNCJBUUSURUSU-ZYHUDNBSSA-N 1 1 336.348 0.679 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073349 438283223 /nfs/dbraw/zinc/28/32/23/438283223.db2.gz REOBKQHKSVSESI-RISCZKNCSA-N 1 1 332.360 0.626 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073349 438283225 /nfs/dbraw/zinc/28/32/25/438283225.db2.gz REOBKQHKSVSESI-RISCZKNCSA-N 1 1 332.360 0.626 20 5 ECBDMO COc1ccc(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000358726664 438291074 /nfs/dbraw/zinc/29/10/74/438291074.db2.gz VAZNHJDCSGBXBM-OAHLLOKOSA-N 1 1 338.364 0.469 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377654978 438318712 /nfs/dbraw/zinc/31/87/12/438318712.db2.gz PJZWNZAKBFNHFZ-JQWIXIFHSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377654978 438318715 /nfs/dbraw/zinc/31/87/15/438318715.db2.gz PJZWNZAKBFNHFZ-JQWIXIFHSA-N 1 1 348.359 0.610 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368240343 438304516 /nfs/dbraw/zinc/30/45/16/438304516.db2.gz IWUJJLRDNIMAME-WOPDTQHZSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368240343 438304521 /nfs/dbraw/zinc/30/45/21/438304521.db2.gz IWUJJLRDNIMAME-WOPDTQHZSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368240340 438305590 /nfs/dbraw/zinc/30/55/90/438305590.db2.gz IWUJJLRDNIMAME-IJLUTSLNSA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368240340 438305594 /nfs/dbraw/zinc/30/55/94/438305594.db2.gz IWUJJLRDNIMAME-IJLUTSLNSA-N 1 1 332.360 0.990 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000352082942 438380280 /nfs/dbraw/zinc/38/02/80/438380280.db2.gz KLTBUCANAAXFNM-ARFHVFGLSA-N 1 1 346.387 0.715 20 5 ECBDMO CN1CCO[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000352082942 438380283 /nfs/dbraw/zinc/38/02/83/438380283.db2.gz KLTBUCANAAXFNM-ARFHVFGLSA-N 1 1 346.387 0.715 20 5 ECBDMO CC(C)C[N@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369826343 438521167 /nfs/dbraw/zinc/52/11/67/438521167.db2.gz UHHAWYYHMPQAMR-OAHLLOKOSA-N 1 1 325.413 0.816 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000453033428 438681359 /nfs/dbraw/zinc/68/13/59/438681359.db2.gz JQCOPRHMVMHHME-HIFRSBDPSA-N 1 1 346.387 0.796 20 5 ECBDMO O=c1[nH]c(NC[C@@H]2CCC[N@@H+]2CCCO)nc2ccc([N+](=O)[O-])cc12 ZINC000450596696 438693528 /nfs/dbraw/zinc/69/35/28/438693528.db2.gz NSZCEXCFFGJHPE-LBPRGKRZSA-N 1 1 347.375 1.502 20 5 ECBDMO CNc1nc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456071349 438757867 /nfs/dbraw/zinc/75/78/67/438757867.db2.gz SPLVKESWPULBTA-ZYHUDNBSSA-N 1 1 337.380 0.559 20 5 ECBDMO CC[C@H]1C[N@@H+](C)CCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000555242225 438774505 /nfs/dbraw/zinc/77/45/05/438774505.db2.gz HICUALJBCDURQZ-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO CO[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661092 438841037 /nfs/dbraw/zinc/84/10/37/438841037.db2.gz IAZZIFWLFZUTTA-ZBFHGGJFSA-N 1 1 340.376 0.808 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000595664601 438843200 /nfs/dbraw/zinc/84/32/00/438843200.db2.gz RVCNIWLLAFYURI-SMDDNHRTSA-N 1 1 337.332 0.762 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402417 438918556 /nfs/dbraw/zinc/91/85/56/438918556.db2.gz TUAKHAIBMJYVSS-KGLIPLIRSA-N 1 1 337.380 0.503 20 5 ECBDMO NS(=O)(=O)c1cc(N[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000596091203 438924023 /nfs/dbraw/zinc/92/40/23/438924023.db2.gz YEPTUSNAXHMECO-SECBINFHSA-N 1 1 326.378 0.891 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596134332 438930784 /nfs/dbraw/zinc/93/07/84/438930784.db2.gz LYEXJJFBGWTYGQ-UHFFFAOYSA-N 1 1 330.348 0.754 20 5 ECBDMO COCC(COC)[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596270888 438948922 /nfs/dbraw/zinc/94/89/22/438948922.db2.gz UMFOCZIUFVMMSJ-UHFFFAOYSA-N 1 1 325.369 0.355 20 5 ECBDMO Nc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ncc1[N+](=O)[O-] ZINC000596422158 438959733 /nfs/dbraw/zinc/95/97/33/438959733.db2.gz BLSVRDKXPLETJK-CYBMUJFWSA-N 1 1 344.375 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2n[nH]cc2Br)c1 ZINC000518758267 439009726 /nfs/dbraw/zinc/00/97/26/439009726.db2.gz WYAKSBSDSKGNLD-QMMMGPOBSA-N 1 1 345.157 0.428 20 5 ECBDMO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520375960 439080866 /nfs/dbraw/zinc/08/08/66/439080866.db2.gz QQLLSLDAQGRZEY-SNVBAGLBSA-N 1 1 336.348 0.299 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520375960 439080873 /nfs/dbraw/zinc/08/08/73/439080873.db2.gz QQLLSLDAQGRZEY-SNVBAGLBSA-N 1 1 336.348 0.299 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996088 439210581 /nfs/dbraw/zinc/21/05/81/439210581.db2.gz HZQVJLBRALXGCF-VXGBXAGGSA-N 1 1 339.396 0.715 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000597996088 439210587 /nfs/dbraw/zinc/21/05/87/439210587.db2.gz HZQVJLBRALXGCF-VXGBXAGGSA-N 1 1 339.396 0.715 20 5 ECBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000598451524 439264270 /nfs/dbraw/zinc/26/42/70/439264270.db2.gz AYGDLYYGOMPSPF-CQSZACIVSA-N 1 1 335.360 0.972 20 5 ECBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598451524 439264275 /nfs/dbraw/zinc/26/42/75/439264275.db2.gz AYGDLYYGOMPSPF-CQSZACIVSA-N 1 1 335.360 0.972 20 5 ECBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452231 439264657 /nfs/dbraw/zinc/26/46/57/439264657.db2.gz HRJWKVZXBNWOBU-LBPRGKRZSA-N 1 1 334.376 0.848 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598609504 439286859 /nfs/dbraw/zinc/28/68/59/439286859.db2.gz YZEXBSOYFBRVND-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO O=[N+]([O-])c1c(NCC[N@H+]2CC=CCC2)ncnc1N1CCOCC1 ZINC000598623924 439292309 /nfs/dbraw/zinc/29/23/09/439292309.db2.gz DPCLLFXARJUYJO-UHFFFAOYSA-N 1 1 334.380 0.895 20 5 ECBDMO O=[N+]([O-])c1c(NCC[N@@H+]2CC=CCC2)ncnc1N1CCOCC1 ZINC000598623924 439292314 /nfs/dbraw/zinc/29/23/14/439292314.db2.gz DPCLLFXARJUYJO-UHFFFAOYSA-N 1 1 334.380 0.895 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604227458 439304139 /nfs/dbraw/zinc/30/41/39/439304139.db2.gz DZMOWYIDSXHMSZ-JTQLQIEISA-N 1 1 336.348 0.752 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000604278109 439305605 /nfs/dbraw/zinc/30/56/05/439305605.db2.gz GJMQIKMMLVYSGY-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000604278109 439305610 /nfs/dbraw/zinc/30/56/10/439305610.db2.gz GJMQIKMMLVYSGY-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC(C)(C)CCC[NH+](C)C)n1 ZINC000599322306 439432381 /nfs/dbraw/zinc/43/23/81/439432381.db2.gz RENAQPPITRXBKF-UHFFFAOYSA-N 1 1 333.414 0.727 20 5 ECBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599350108 439445609 /nfs/dbraw/zinc/44/56/09/439445609.db2.gz SXMFVDWUGZQIDM-UHFFFAOYSA-N 1 1 333.414 0.727 20 5 ECBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853159 439476977 /nfs/dbraw/zinc/47/69/77/439476977.db2.gz CZTWUCDMQVIUEF-GFCCVEGCSA-N 1 1 330.344 0.967 20 5 ECBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853159 439476982 /nfs/dbraw/zinc/47/69/82/439476982.db2.gz CZTWUCDMQVIUEF-GFCCVEGCSA-N 1 1 330.344 0.967 20 5 ECBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593857137 439479485 /nfs/dbraw/zinc/47/94/85/439479485.db2.gz TZNGEIBRXSHHTF-LLVKDONJSA-N 1 1 341.314 0.693 20 5 ECBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593857137 439479493 /nfs/dbraw/zinc/47/94/93/439479493.db2.gz TZNGEIBRXSHHTF-LLVKDONJSA-N 1 1 341.314 0.693 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[N@H+]4C[C@H](O)C[C@H]4C3)n2)cc1 ZINC000594025412 439510528 /nfs/dbraw/zinc/51/05/28/439510528.db2.gz KERRZXLZHSABFN-UONOGXRCSA-N 1 1 345.359 0.896 20 5 ECBDMO O=C1[C@@H]([NH+]2C[C@@H](CO)[C@H](CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000599531195 439498843 /nfs/dbraw/zinc/49/88/43/439498843.db2.gz MKFAXFDATKAJFS-HUBLWGQQSA-N 1 1 335.360 0.233 20 5 ECBDMO CC[N@@H+](C)C[C@@H](O)CN[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000599648764 439525812 /nfs/dbraw/zinc/52/58/12/439525812.db2.gz FFEQKDPVARXBOF-HOCLYGCPSA-N 1 1 339.392 0.885 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000609269740 439560578 /nfs/dbraw/zinc/56/05/78/439560578.db2.gz WGLRXJBKENZOBT-LBPRGKRZSA-N 1 1 339.396 0.753 20 5 ECBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753176 439600937 /nfs/dbraw/zinc/60/09/37/439600937.db2.gz HKFVCLHLWGPUCV-NSHDSACASA-N 1 1 326.378 0.847 20 5 ECBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594753176 439600942 /nfs/dbraw/zinc/60/09/42/439600942.db2.gz HKFVCLHLWGPUCV-NSHDSACASA-N 1 1 326.378 0.847 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000594769751 439607552 /nfs/dbraw/zinc/60/75/52/439607552.db2.gz CZDHPKPUJCCQMW-ZYHUDNBSSA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])[C@@H]2C1 ZINC000594769751 439607556 /nfs/dbraw/zinc/60/75/56/439607556.db2.gz CZDHPKPUJCCQMW-ZYHUDNBSSA-N 1 1 326.378 0.705 20 5 ECBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000585803832 439654161 /nfs/dbraw/zinc/65/41/61/439654161.db2.gz DTOQBZPEWSYWOZ-OAHLLOKOSA-N 1 1 337.380 0.241 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)nc1 ZINC000595109732 439654900 /nfs/dbraw/zinc/65/49/00/439654900.db2.gz LCHXGMDXOLPPLN-CYBMUJFWSA-N 1 1 349.372 0.720 20 5 ECBDMO CC[N@H+](CC(=O)N(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612059070 439746058 /nfs/dbraw/zinc/74/60/58/439746058.db2.gz GQUJMFYTUZONEE-GFCCVEGCSA-N 1 1 325.365 0.745 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614895611 439789840 /nfs/dbraw/zinc/78/98/40/439789840.db2.gz WPHPCNKWNUGQIR-UHFFFAOYSA-N 1 1 325.369 0.015 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614895611 439789841 /nfs/dbraw/zinc/78/98/41/439789841.db2.gz WPHPCNKWNUGQIR-UHFFFAOYSA-N 1 1 325.369 0.015 20 5 ECBDMO COC1(CO)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000618551305 440131145 /nfs/dbraw/zinc/13/11/45/440131145.db2.gz UCFVKNRWAQJZMT-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO O=C(C[NH+]1[C@H](CO)CC[C@H]1CO)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000347341859 321237165 /nfs/dbraw/zinc/23/71/65/321237165.db2.gz QVCUSSQPFLMXSL-KBPBESRZSA-N 1 1 335.360 0.302 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[NH2+]C[C@@H]2C(F)F)c(C)c1[N+](=O)[O-] ZINC000367281981 321686922 /nfs/dbraw/zinc/68/69/22/321686922.db2.gz FPUWPWJZXLGDQW-SNVBAGLBSA-N 1 1 331.323 0.864 20 5 ECBDMO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000187672763 533911030 /nfs/dbraw/zinc/91/10/30/533911030.db2.gz SFVGOSHPWHQQCJ-ZDUSSCGKSA-N 1 1 348.403 0.482 20 5 ECBDMO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000187672763 533911037 /nfs/dbraw/zinc/91/10/37/533911037.db2.gz SFVGOSHPWHQQCJ-ZDUSSCGKSA-N 1 1 348.403 0.482 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264935835 535712778 /nfs/dbraw/zinc/71/27/78/535712778.db2.gz UJSWZUSTFGIWEQ-CYBMUJFWSA-N 1 1 338.412 0.181 20 5 ECBDMO COCC[NH+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000193180062 536872478 /nfs/dbraw/zinc/87/24/78/536872478.db2.gz POVKJIDDDALIHT-UHFFFAOYSA-N 1 1 336.392 0.822 20 5 ECBDMO CCOCC[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000105830178 545737262 /nfs/dbraw/zinc/73/72/62/545737262.db2.gz USQPUWSJBKJEDL-UHFFFAOYSA-N 1 1 336.392 0.848 20 5 ECBDMO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000619789007 546369257 /nfs/dbraw/zinc/36/92/57/546369257.db2.gz POTGZTSHTLUWSA-GFCCVEGCSA-N 1 1 336.396 0.558 20 5 ECBDMO CN(C(=O)c1c[nH]nc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000619789007 546369260 /nfs/dbraw/zinc/36/92/60/546369260.db2.gz POTGZTSHTLUWSA-GFCCVEGCSA-N 1 1 336.396 0.558 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619874152 546376546 /nfs/dbraw/zinc/37/65/46/546376546.db2.gz ZVSZVYMUHKPVNH-CQSZACIVSA-N 1 1 334.376 0.480 20 5 ECBDMO CN(C[C@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736866383 578459452 /nfs/dbraw/zinc/45/94/52/578459452.db2.gz DGYQUWCGYUJPMI-LLVKDONJSA-N 1 1 333.352 0.542 20 5 ECBDMO CN(C[C@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736866383 578459453 /nfs/dbraw/zinc/45/94/53/578459453.db2.gz DGYQUWCGYUJPMI-LLVKDONJSA-N 1 1 333.352 0.542 20 5 ECBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3CCCC[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738369345 579624622 /nfs/dbraw/zinc/62/46/22/579624622.db2.gz LLMAPJDUKPCFPS-JTQLQIEISA-N 1 1 330.352 0.844 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000895167026 586167628 /nfs/dbraw/zinc/16/76/28/586167628.db2.gz TXRVMGUDVJEYEK-ZDUSSCGKSA-N 1 1 338.412 0.537 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896545519 586250294 /nfs/dbraw/zinc/25/02/94/586250294.db2.gz QOAUWOKTQQOOAC-RISCZKNCSA-N 1 1 336.392 0.968 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC000896912747 586277500 /nfs/dbraw/zinc/27/75/00/586277500.db2.gz FZNBICPZKZUEHA-WBMJQRKESA-N 1 1 348.407 0.609 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060670 587094969 /nfs/dbraw/zinc/09/49/69/587094969.db2.gz OIRJQJOPYWHEHD-ZBFHGGJFSA-N 1 1 348.359 0.687 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840060670 587094972 /nfs/dbraw/zinc/09/49/72/587094972.db2.gz OIRJQJOPYWHEHD-ZBFHGGJFSA-N 1 1 348.359 0.687 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000813591937 587257124 /nfs/dbraw/zinc/25/71/24/587257124.db2.gz ZSBXWFVPWFTENU-UHFFFAOYSA-N 1 1 329.360 0.751 20 5 ECBDMO COC(=O)[C@@H]1CN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840361108 587431018 /nfs/dbraw/zinc/43/10/18/587431018.db2.gz RUHVBIUFDBKYIP-NSHDSACASA-N 1 1 333.348 0.784 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1F ZINC000832208199 588474842 /nfs/dbraw/zinc/47/48/42/588474842.db2.gz ZTVQFIUODPTRAP-CQSZACIVSA-N 1 1 329.303 0.978 20 5 ECBDMO NC(=O)[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])CC[NH2+]1 ZINC000856721791 589671409 /nfs/dbraw/zinc/67/14/09/589671409.db2.gz OSGPEUVWRWYXJJ-QMMMGPOBSA-N 1 1 329.154 0.621 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861716556 589879123 /nfs/dbraw/zinc/87/91/23/589879123.db2.gz RPWWGPNYHSGUII-QLFBSQMISA-N 1 1 335.360 0.296 20 5 ECBDMO Cc1c(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863832090 590041553 /nfs/dbraw/zinc/04/15/53/590041553.db2.gz UPGSAJTYVMSCII-NSHDSACASA-N 1 1 338.320 0.608 20 5 ECBDMO CCOc1cc(N2CC[NH+](C[C@H](O)[C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000930285277 611408722 /nfs/dbraw/zinc/40/87/22/611408722.db2.gz QBWGMBGHRJAIDV-WFASDCNBSA-N 1 1 339.392 0.857 20 5 ECBDMO CCOc1cc(N2CC[NH+](C[C@@H](O)[C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000930285275 611408966 /nfs/dbraw/zinc/40/89/66/611408966.db2.gz QBWGMBGHRJAIDV-IUODEOHRSA-N 1 1 339.392 0.857 20 5 ECBDMO NC(=O)C(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2CC1 ZINC000946751898 611453282 /nfs/dbraw/zinc/45/32/82/611453282.db2.gz JLPAWEGSLBQMAJ-BETUJISGSA-N 1 1 346.387 0.751 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406047 611537407 /nfs/dbraw/zinc/53/74/07/611537407.db2.gz MHEUNSMFQWZIPE-QWHCGFSZSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406047 611537410 /nfs/dbraw/zinc/53/74/10/611537410.db2.gz MHEUNSMFQWZIPE-QWHCGFSZSA-N 1 1 336.392 0.839 20 5 ECBDMO O=C1CNCCN1[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332850 611230192 /nfs/dbraw/zinc/23/01/92/611230192.db2.gz MYZPBJJRMRMBLJ-CVEARBPZSA-N 1 1 348.403 0.524 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001022953516 736311897 /nfs/dbraw/zinc/31/18/97/736311897.db2.gz RWXCMIJNGKYGGX-TXEJJXNPSA-N 1 1 330.348 0.692 20 5 ECBDMO CC1CC[NH+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)CC1 ZINC000973253997 738979303 /nfs/dbraw/zinc/97/93/03/738979303.db2.gz FESYNKQSWZPFDT-AAVRWANBSA-N 1 1 338.408 0.147 20 5 ECBDMO Cc1cc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001025776019 739944909 /nfs/dbraw/zinc/94/49/09/739944909.db2.gz UCSOACJCBAJGMG-QMIVOQANSA-N 1 1 333.392 0.212 20 5 ECBDMO Cc1cc(C)n(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001025776019 739944911 /nfs/dbraw/zinc/94/49/11/739944911.db2.gz UCSOACJCBAJGMG-QMIVOQANSA-N 1 1 333.392 0.212 20 5 ECBDMO Cc1cc(C)n(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])n1 ZINC001025776019 739944915 /nfs/dbraw/zinc/94/49/15/739944915.db2.gz UCSOACJCBAJGMG-QMIVOQANSA-N 1 1 333.392 0.212 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC001212108668 754068475 /nfs/dbraw/zinc/06/84/75/754068475.db2.gz ZAINJSJDTMAFFS-NSHDSACASA-N 1 1 345.425 0.916 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC001212108668 754068479 /nfs/dbraw/zinc/06/84/79/754068479.db2.gz ZAINJSJDTMAFFS-NSHDSACASA-N 1 1 345.425 0.916 20 5 ECBDMO CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CC1 ZINC001126939240 756806597 /nfs/dbraw/zinc/80/65/97/756806597.db2.gz TXERTKUPIBXBOA-CHWSQXEVSA-N 1 1 326.397 0.004 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)NC/C=C/CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107200741 757594917 /nfs/dbraw/zinc/59/49/17/757594917.db2.gz SJXZXSBQUZROSB-NSCUHMNNSA-N 1 1 346.347 0.985 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107234326 757977828 /nfs/dbraw/zinc/97/78/28/757977828.db2.gz YRKQJXGAMTTXDU-PLNGDYQASA-N 1 1 337.384 0.392 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107425391 758533865 /nfs/dbraw/zinc/53/38/65/758533865.db2.gz WIWWFGWEEWBYQI-NSCUHMNNSA-N 1 1 346.351 0.256 20 5 ECBDMO NC(=O)CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001048734584 761071636 /nfs/dbraw/zinc/07/16/36/761071636.db2.gz URASPWXSQDECFO-BETUJISGSA-N 1 1 332.360 0.360 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1)c1c[nH]c(=O)cn1 ZINC001031933643 763657441 /nfs/dbraw/zinc/65/74/41/763657441.db2.gz FLUXKMDKBRYPSK-UHFFFAOYSA-N 1 1 343.343 0.540 20 5 ECBDMO CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001031662229 766379638 /nfs/dbraw/zinc/37/96/38/766379638.db2.gz XYYMCXCRPUFBDK-HZPDHXFCSA-N 1 1 332.404 0.966 20 5 ECBDMO Cn1nncc1C(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031643199 771580527 /nfs/dbraw/zinc/58/05/27/771580527.db2.gz MFKCSMDJMFSVBX-UHFFFAOYSA-N 1 1 330.348 0.585 20 5 ECBDMO CCC1(NC(=O)CC[NH+](C)C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001069368031 789776449 /nfs/dbraw/zinc/77/64/49/789776449.db2.gz IHEHUSSKNFUFGR-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO O=C(Cn1cnnn1)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001266581541 836013026 /nfs/dbraw/zinc/01/30/26/836013026.db2.gz FPYWLKMZMAEHSG-UHFFFAOYSA-N 1 1 345.363 0.362 20 5 ECBDMO Cc1cccc(C)c1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696790 836159857 /nfs/dbraw/zinc/15/98/57/836159857.db2.gz RVPKBTBLLYUFBF-ZIAGYGMSSA-N 1 1 348.403 0.955 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428544805 210267015 /nfs/dbraw/zinc/26/70/15/210267015.db2.gz KGHAWGCHRDXGEX-ZDUSSCGKSA-N 1 1 346.347 0.392 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000427139153 210181271 /nfs/dbraw/zinc/18/12/71/210181271.db2.gz CLWUMUDOIQRXKL-MRVPVSSYSA-N 1 1 346.290 0.503 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc[nH]n2)c1 ZINC000066990608 215101939 /nfs/dbraw/zinc/10/19/39/215101939.db2.gz PHXBASHMQFAMQQ-UHFFFAOYSA-N 1 1 325.350 0.386 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246631089 243285067 /nfs/dbraw/zinc/28/50/67/243285067.db2.gz DZIMRDLHISMHFQ-QWRGUYRKSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000246631089 243285071 /nfs/dbraw/zinc/28/50/71/243285071.db2.gz DZIMRDLHISMHFQ-QWRGUYRKSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000246845483 243324285 /nfs/dbraw/zinc/32/42/85/243324285.db2.gz ZJNMPWZMHVLEGE-DZGCQCFKSA-N 1 1 334.380 0.994 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000263804054 245697268 /nfs/dbraw/zinc/69/72/68/245697268.db2.gz WVTOYIPMWXNBNW-UHFFFAOYSA-N 1 1 340.380 0.981 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452352596 211482194 /nfs/dbraw/zinc/48/21/94/211482194.db2.gz SCBIDDNLYVTRIE-CQSZACIVSA-N 1 1 337.376 0.937 20 5 ECBDMO Nc1nc(N)nc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451549684 211396723 /nfs/dbraw/zinc/39/67/23/211396723.db2.gz QCROHQQKWBFYGN-LLVKDONJSA-N 1 1 329.364 0.985 20 5 ECBDMO Nc1nc(N)nc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000451549684 211396726 /nfs/dbraw/zinc/39/67/26/211396726.db2.gz QCROHQQKWBFYGN-LLVKDONJSA-N 1 1 329.364 0.985 20 5 ECBDMO NC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000411977253 208182387 /nfs/dbraw/zinc/18/23/87/208182387.db2.gz JUTDEHOLJKFDAE-LSDHHAIUSA-N 1 1 329.360 0.992 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000413896389 208366512 /nfs/dbraw/zinc/36/65/12/208366512.db2.gz GDYAYVLKYUKLNL-JTQLQIEISA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413896389 208366518 /nfs/dbraw/zinc/36/65/18/208366518.db2.gz GDYAYVLKYUKLNL-JTQLQIEISA-N 1 1 336.348 0.354 20 5 ECBDMO Cc1cc([N+](=O)[O-])cn(C[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000414151847 208395882 /nfs/dbraw/zinc/39/58/82/208395882.db2.gz WRFICMRENYHWQZ-MBNYWOFBSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1cc([N+](=O)[O-])cn(C[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000414151847 208395889 /nfs/dbraw/zinc/39/58/89/208395889.db2.gz WRFICMRENYHWQZ-MBNYWOFBSA-N 1 1 325.365 0.535 20 5 ECBDMO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430643408 210394395 /nfs/dbraw/zinc/39/43/95/210394395.db2.gz LSWGSFSGCIKNJJ-UHFFFAOYSA-N 1 1 349.391 0.287 20 5 ECBDMO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+]1CCC[C@@H](C)C1 ZINC000250283285 165206048 /nfs/dbraw/zinc/20/60/48/165206048.db2.gz ITBJARPKCWUNIX-CHWSQXEVSA-N 1 1 336.392 0.993 20 5 ECBDMO NC(=O)C[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269659855 263195145 /nfs/dbraw/zinc/19/51/45/263195145.db2.gz WBHXWAPZTABEOD-CYBMUJFWSA-N 1 1 336.348 0.167 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270693086 263263444 /nfs/dbraw/zinc/26/34/44/263263444.db2.gz WOPMWXQKBOGYGZ-NSHDSACASA-N 1 1 335.364 0.974 20 5 ECBDMO CNC(=O)c1ccc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000284981715 264264119 /nfs/dbraw/zinc/26/41/19/264264119.db2.gz LAQHGDCZLVBJBC-CABCVRRESA-N 1 1 334.376 0.864 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3[nH+]ccn3C)CC2)n1 ZINC000286039381 264362773 /nfs/dbraw/zinc/36/27/73/264362773.db2.gz BNQOARKZGJUHJT-UHFFFAOYSA-N 1 1 346.347 0.837 20 5 ECBDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000459825816 274067493 /nfs/dbraw/zinc/06/74/93/274067493.db2.gz LSVQSCBGUJENHA-TVQRCGJNSA-N 1 1 339.304 0.265 20 5 ECBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1(O)CCOCC1 ZINC000189749769 437610297 /nfs/dbraw/zinc/61/02/97/437610297.db2.gz RMVGQUNEPRUSKB-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC[NH+]2CCN(C)CC2)c1 ZINC000339120299 297320693 /nfs/dbraw/zinc/32/06/93/297320693.db2.gz NILLPVKCOJXLRN-UHFFFAOYSA-N 1 1 338.364 0.181 20 5 ECBDMO C[C@@H]1C[NH+](CCN(C)C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)O1 ZINC000345410972 298153357 /nfs/dbraw/zinc/15/33/57/298153357.db2.gz UJHVNNDIBMPRNS-VXGBXAGGSA-N 1 1 325.369 0.359 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363192840 300253283 /nfs/dbraw/zinc/25/32/83/300253283.db2.gz OVXBYAXEGNWDLK-CHWSQXEVSA-N 1 1 334.376 0.986 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720867 301022444 /nfs/dbraw/zinc/02/24/44/301022444.db2.gz BOBMQCQXZXVXHO-LLVKDONJSA-N 1 1 339.396 0.799 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720867 301022448 /nfs/dbraw/zinc/02/24/48/301022448.db2.gz BOBMQCQXZXVXHO-LLVKDONJSA-N 1 1 339.396 0.799 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372720867 301022449 /nfs/dbraw/zinc/02/24/49/301022449.db2.gz BOBMQCQXZXVXHO-LLVKDONJSA-N 1 1 339.396 0.799 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000373280340 301056452 /nfs/dbraw/zinc/05/64/52/301056452.db2.gz KLFDJSLPQFWTIX-TZMCWYRMSA-N 1 1 337.376 0.935 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637733 301117754 /nfs/dbraw/zinc/11/77/54/301117754.db2.gz RZCPFUFEKBIVPQ-LPWJVIDDSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCn2ccc([N+](=O)[O-])n2)O1 ZINC000374637733 301117756 /nfs/dbraw/zinc/11/77/56/301117756.db2.gz RZCPFUFEKBIVPQ-LPWJVIDDSA-N 1 1 338.364 0.975 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000374872745 301130711 /nfs/dbraw/zinc/13/07/11/301130711.db2.gz FHJONCPONDTXDQ-AWEZNQCLSA-N 1 1 336.440 0.930 20 5 ECBDMO CN(C)S(=O)(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000377758664 301373330 /nfs/dbraw/zinc/37/33/30/301373330.db2.gz FWJLWXHJLMFNGZ-UHFFFAOYSA-N 1 1 342.421 0.909 20 5 ECBDMO CN(C)S(=O)(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000377758664 301373333 /nfs/dbraw/zinc/37/33/33/301373333.db2.gz FWJLWXHJLMFNGZ-UHFFFAOYSA-N 1 1 342.421 0.909 20 5 ECBDMO CCOC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000083244268 436369618 /nfs/dbraw/zinc/36/96/18/436369618.db2.gz MVYDOAFCWBDVCV-CQSZACIVSA-N 1 1 340.380 0.960 20 5 ECBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047495998 436421690 /nfs/dbraw/zinc/42/16/90/436421690.db2.gz VQXZHILNVRIYIH-SDDRHHMPSA-N 1 1 325.369 0.405 20 5 ECBDMO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047495998 436421694 /nfs/dbraw/zinc/42/16/94/436421694.db2.gz VQXZHILNVRIYIH-SDDRHHMPSA-N 1 1 325.369 0.405 20 5 ECBDMO CNC(=O)c1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000053555525 436536246 /nfs/dbraw/zinc/53/62/46/436536246.db2.gz KKGPDJZZBQEZBB-UHFFFAOYSA-N 1 1 335.364 0.316 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000533522552 302098703 /nfs/dbraw/zinc/09/87/03/302098703.db2.gz CZBQGHIHABEHDW-UHFFFAOYSA-N 1 1 338.364 0.998 20 5 ECBDMO CC(C)[N@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350262 436649445 /nfs/dbraw/zinc/64/94/45/436649445.db2.gz PPYJUDSFJSWVSA-UHFFFAOYSA-N 1 1 334.376 0.764 20 5 ECBDMO CC(C)[N@@H+](CC(=O)N1CCNC(=O)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350262 436649446 /nfs/dbraw/zinc/64/94/46/436649446.db2.gz PPYJUDSFJSWVSA-UHFFFAOYSA-N 1 1 334.376 0.764 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000272368825 436713422 /nfs/dbraw/zinc/71/34/22/436713422.db2.gz TYLYRHGKYQGALT-LLVKDONJSA-N 1 1 337.332 0.774 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000194747632 436670460 /nfs/dbraw/zinc/67/04/60/436670460.db2.gz WLMGEXLJHSPFQC-TXEJJXNPSA-N 1 1 325.369 0.359 20 5 ECBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000194747632 436670464 /nfs/dbraw/zinc/67/04/64/436670464.db2.gz WLMGEXLJHSPFQC-TXEJJXNPSA-N 1 1 325.369 0.359 20 5 ECBDMO COc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000067717825 436721559 /nfs/dbraw/zinc/72/15/59/436721559.db2.gz DJVBGLXDVPXBQE-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO O=C1NC[C@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372317 436749954 /nfs/dbraw/zinc/74/99/54/436749954.db2.gz RVXATSWWUFTPMC-RYUDHWBXSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372317 436749955 /nfs/dbraw/zinc/74/99/55/436749955.db2.gz RVXATSWWUFTPMC-RYUDHWBXSA-N 1 1 336.348 0.044 20 5 ECBDMO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000124547020 436753531 /nfs/dbraw/zinc/75/35/31/436753531.db2.gz WVNZOMAIEXFDQP-LBPRGKRZSA-N 1 1 336.396 0.995 20 5 ECBDMO CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431056 436763250 /nfs/dbraw/zinc/76/32/50/436763250.db2.gz NWDVHAIYFMTKOK-UKRRQHHQSA-N 1 1 325.413 0.816 20 5 ECBDMO C[C@@](O)(CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000255475638 436853996 /nfs/dbraw/zinc/85/39/96/436853996.db2.gz SYQBKZNFZMXVDQ-DANOYGIBSA-N 1 1 349.387 0.807 20 5 ECBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000157098435 436824155 /nfs/dbraw/zinc/82/41/55/436824155.db2.gz NHYIYPOUDXUZQO-OCCSQVGLSA-N 1 1 334.376 0.699 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956668 436900118 /nfs/dbraw/zinc/90/01/18/436900118.db2.gz IATRCJZCMOTALA-UHTWSYAYSA-N 1 1 326.353 0.426 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274956668 436900121 /nfs/dbraw/zinc/90/01/21/436900121.db2.gz IATRCJZCMOTALA-UHTWSYAYSA-N 1 1 326.353 0.426 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000262008845 436901495 /nfs/dbraw/zinc/90/14/95/436901495.db2.gz QNFYXIMWGQINSH-GFCCVEGCSA-N 1 1 330.348 0.818 20 5 ECBDMO CCS(=O)(=O)NCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474646 437052505 /nfs/dbraw/zinc/05/25/05/437052505.db2.gz PMGXVTPCPBSTAS-NSHDSACASA-N 1 1 343.409 0.415 20 5 ECBDMO CCS(=O)(=O)NCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474646 437052508 /nfs/dbraw/zinc/05/25/08/437052508.db2.gz PMGXVTPCPBSTAS-NSHDSACASA-N 1 1 343.409 0.415 20 5 ECBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284656680 437057343 /nfs/dbraw/zinc/05/73/43/437057343.db2.gz GFAYIODHOQROCP-JSGCOSHPSA-N 1 1 339.396 0.533 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264649108 437059254 /nfs/dbraw/zinc/05/92/54/437059254.db2.gz WVXMVTWJNFOOCR-CQSZACIVSA-N 1 1 349.391 0.734 20 5 ECBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515673 437084992 /nfs/dbraw/zinc/08/49/92/437084992.db2.gz NVBVDPBBYOXBIM-CHWSQXEVSA-N 1 1 336.392 0.993 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000176389991 437142457 /nfs/dbraw/zinc/14/24/57/437142457.db2.gz PEWPLYUQRRZRLT-LLVKDONJSA-N 1 1 334.376 0.798 20 5 ECBDMO O=C([C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000176227653 437135013 /nfs/dbraw/zinc/13/50/13/437135013.db2.gz VGPKRCHBGVRSHH-CYBMUJFWSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCOCC1 ZINC000176227653 437135019 /nfs/dbraw/zinc/13/50/19/437135019.db2.gz VGPKRCHBGVRSHH-CYBMUJFWSA-N 1 1 337.380 0.505 20 5 ECBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000302172486 437140600 /nfs/dbraw/zinc/14/06/00/437140600.db2.gz VLSWSTBCYOFBBU-UHFFFAOYSA-N 1 1 348.407 0.765 20 5 ECBDMO C[NH+]1CCC(NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000177262130 437175882 /nfs/dbraw/zinc/17/58/82/437175882.db2.gz PVYXKXDBEJGMDG-UHFFFAOYSA-N 1 1 342.421 0.557 20 5 ECBDMO C[NH+]1CCC(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000177347348 437179949 /nfs/dbraw/zinc/17/99/49/437179949.db2.gz ONXARZNSIXCQAN-UHFFFAOYSA-N 1 1 342.421 0.557 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000278455295 437313987 /nfs/dbraw/zinc/31/39/87/437313987.db2.gz IROLIXPKFMJZNZ-GFCCVEGCSA-N 1 1 339.396 0.717 20 5 ECBDMO CNC(=O)N[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337314047 437350886 /nfs/dbraw/zinc/35/08/86/437350886.db2.gz HOGRSVMCNRUQKS-LLVKDONJSA-N 1 1 335.364 0.927 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN(C[C@@H](C)O)[C@H](CC)C2)c1[N+](=O)[O-] ZINC000182738657 437360959 /nfs/dbraw/zinc/36/09/59/437360959.db2.gz OKXGYKBDCSSCAQ-GHMZBOCLSA-N 1 1 339.396 0.798 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000182087573 437338402 /nfs/dbraw/zinc/33/84/02/437338402.db2.gz KNWGWVCJQWZJAX-GFCCVEGCSA-N 1 1 325.369 0.361 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)N1 ZINC000279386531 437403246 /nfs/dbraw/zinc/40/32/46/437403246.db2.gz JVHDMSYZVJXTGC-CQSZACIVSA-N 1 1 349.303 0.677 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)N1 ZINC000279386531 437403249 /nfs/dbraw/zinc/40/32/49/437403249.db2.gz JVHDMSYZVJXTGC-CQSZACIVSA-N 1 1 349.303 0.677 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000184785119 437409850 /nfs/dbraw/zinc/40/98/50/437409850.db2.gz CYEUHLJXQJMQIN-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1nnc([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520726 437430707 /nfs/dbraw/zinc/43/07/07/437430707.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520726 437430711 /nfs/dbraw/zinc/43/07/11/437430711.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520726 437430718 /nfs/dbraw/zinc/43/07/18/437430718.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@H]2CCC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520726 437430722 /nfs/dbraw/zinc/43/07/22/437430722.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520726 437430726 /nfs/dbraw/zinc/43/07/26/437430726.db2.gz WLSKCFDAOHWNAB-WCQYABFASA-N 1 1 335.368 0.458 20 5 ECBDMO O=C(CC[NH+]1CCN(CCO)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000185167592 437430921 /nfs/dbraw/zinc/43/09/21/437430921.db2.gz WQTZUEVSIBLWID-UHFFFAOYSA-N 1 1 340.355 0.672 20 5 ECBDMO Cc1ccc(C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000186607526 437477705 /nfs/dbraw/zinc/47/77/05/437477705.db2.gz TWEUPSVBEUADHD-AWEZNQCLSA-N 1 1 346.387 0.940 20 5 ECBDMO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186625238 437478716 /nfs/dbraw/zinc/47/87/16/437478716.db2.gz LDSSRKCTZZKVAM-AWEZNQCLSA-N 1 1 332.360 0.631 20 5 ECBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000289923828 437449187 /nfs/dbraw/zinc/44/91/87/437449187.db2.gz UNIIYPXPTAMPNN-IUODEOHRSA-N 1 1 348.403 0.989 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@H](C)O1 ZINC000354261455 437574397 /nfs/dbraw/zinc/57/43/97/437574397.db2.gz OFVUTDQBNWDHKE-UMNHJUIQSA-N 1 1 345.783 0.880 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cc(Cl)c2=O)C[C@H](C)O1 ZINC000354261455 437574400 /nfs/dbraw/zinc/57/44/00/437574400.db2.gz OFVUTDQBNWDHKE-UMNHJUIQSA-N 1 1 345.783 0.880 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330686803 437588706 /nfs/dbraw/zinc/58/87/06/437588706.db2.gz MWYCYNPOYQTAGO-RYUDHWBXSA-N 1 1 339.396 0.440 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330686803 437588708 /nfs/dbraw/zinc/58/87/08/437588708.db2.gz MWYCYNPOYQTAGO-RYUDHWBXSA-N 1 1 339.396 0.440 20 5 ECBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343818032 437666238 /nfs/dbraw/zinc/66/62/38/437666238.db2.gz AXVGVMNIQCHERA-ZDUSSCGKSA-N 1 1 336.392 0.851 20 5 ECBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1CCO ZINC000331131387 437696257 /nfs/dbraw/zinc/69/62/57/437696257.db2.gz CUGJEDMJOKZISF-LLVKDONJSA-N 1 1 325.369 0.051 20 5 ECBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1CCO ZINC000331131387 437696261 /nfs/dbraw/zinc/69/62/61/437696261.db2.gz CUGJEDMJOKZISF-LLVKDONJSA-N 1 1 325.369 0.051 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000355374972 437701717 /nfs/dbraw/zinc/70/17/17/437701717.db2.gz XDUVSDNHKUODJB-QWHCGFSZSA-N 1 1 335.364 0.507 20 5 ECBDMO CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000371084435 437883604 /nfs/dbraw/zinc/88/36/04/437883604.db2.gz GZOZQXGGFNWQNE-HOTGVXAUSA-N 1 1 338.452 0.964 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@H](C)O1 ZINC000347428717 437888609 /nfs/dbraw/zinc/88/86/09/437888609.db2.gz MINIYLBZTWJCRR-TXEJJXNPSA-N 1 1 339.396 0.948 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416466416 437940605 /nfs/dbraw/zinc/94/06/05/437940605.db2.gz QKPWCSARTBTJJN-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768338 437967147 /nfs/dbraw/zinc/96/71/47/437967147.db2.gz GWAOVNOVPVFHOM-RYUDHWBXSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365768338 437967150 /nfs/dbraw/zinc/96/71/50/437967150.db2.gz GWAOVNOVPVFHOM-RYUDHWBXSA-N 1 1 336.348 0.679 20 5 ECBDMO COc1cc(C[N@@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304549 438050308 /nfs/dbraw/zinc/05/03/08/438050308.db2.gz AIWRXGOKDANJQJ-VHSXEESVSA-N 1 1 337.307 0.837 20 5 ECBDMO COc1cc(C[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000366304549 438050312 /nfs/dbraw/zinc/05/03/12/438050312.db2.gz AIWRXGOKDANJQJ-VHSXEESVSA-N 1 1 337.307 0.837 20 5 ECBDMO COCCC[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373099490 438130875 /nfs/dbraw/zinc/13/08/75/438130875.db2.gz NGCDPNPVJNJOHP-UHFFFAOYSA-N 1 1 338.364 0.880 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)c1C ZINC000358194866 438179468 /nfs/dbraw/zinc/17/94/68/438179468.db2.gz JLNWGUGCRVZHQB-CQSZACIVSA-N 1 1 343.405 0.557 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000358210452 438182042 /nfs/dbraw/zinc/18/20/42/438182042.db2.gz JLTSYHLMGYCZEH-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000349653397 438168827 /nfs/dbraw/zinc/16/88/27/438168827.db2.gz INMHTIHNYXOGJY-NSHDSACASA-N 1 1 345.425 0.916 20 5 ECBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000349653397 438168829 /nfs/dbraw/zinc/16/88/29/438168829.db2.gz INMHTIHNYXOGJY-NSHDSACASA-N 1 1 345.425 0.916 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367373816 438200428 /nfs/dbraw/zinc/20/04/28/438200428.db2.gz YJMCRMDCOVKDEU-JTQLQIEISA-N 1 1 336.348 0.739 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367373816 438200431 /nfs/dbraw/zinc/20/04/31/438200431.db2.gz YJMCRMDCOVKDEU-JTQLQIEISA-N 1 1 336.348 0.739 20 5 ECBDMO O=c1[nH]c(NC[C@H]2C[N@@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367426122 438207296 /nfs/dbraw/zinc/20/72/96/438207296.db2.gz LPZCGGXHYLFIDB-LBPRGKRZSA-N 1 1 345.359 1.519 20 5 ECBDMO O=c1[nH]c(NC[C@H]2C[N@H+](C3CC3)CCO2)nc2ccc([N+](=O)[O-])cc21 ZINC000367426122 438207302 /nfs/dbraw/zinc/20/73/02/438207302.db2.gz LPZCGGXHYLFIDB-LBPRGKRZSA-N 1 1 345.359 1.519 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677217 438323714 /nfs/dbraw/zinc/32/37/14/438323714.db2.gz WCDFFYSPMLSDMH-JSGCOSHPSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677217 438323718 /nfs/dbraw/zinc/32/37/18/438323718.db2.gz WCDFFYSPMLSDMH-JSGCOSHPSA-N 1 1 344.371 0.552 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368639158 438358223 /nfs/dbraw/zinc/35/82/23/438358223.db2.gz SJXFVPUQESQMCF-RYUDHWBXSA-N 1 1 349.343 0.577 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000352022995 438372739 /nfs/dbraw/zinc/37/27/39/438372739.db2.gz STFKPOYODNKEKV-NWDGAFQWSA-N 1 1 337.332 0.320 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000352124404 438385270 /nfs/dbraw/zinc/38/52/70/438385270.db2.gz YBOPTIAYAILKNK-CQSZACIVSA-N 1 1 339.396 0.654 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC000352551209 438440562 /nfs/dbraw/zinc/44/05/62/438440562.db2.gz WMIHRGRKLUYTDR-GFCCVEGCSA-N 1 1 345.425 0.395 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967307 438406690 /nfs/dbraw/zinc/40/66/90/438406690.db2.gz WQRBGFISRUHKMR-JKOKRWQUSA-N 1 1 332.360 0.780 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967307 438406693 /nfs/dbraw/zinc/40/66/93/438406693.db2.gz WQRBGFISRUHKMR-JKOKRWQUSA-N 1 1 332.360 0.780 20 5 ECBDMO C[NH+]1CCN(C(=O)CCN2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000352707077 438462562 /nfs/dbraw/zinc/46/25/62/438462562.db2.gz PWJANFSTQXWYFX-UHFFFAOYSA-N 1 1 348.403 0.953 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405713631 438469834 /nfs/dbraw/zinc/46/98/34/438469834.db2.gz SCSJLZFRVSMROT-QWHCGFSZSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405713631 438469838 /nfs/dbraw/zinc/46/98/38/438469838.db2.gz SCSJLZFRVSMROT-QWHCGFSZSA-N 1 1 341.389 0.343 20 5 ECBDMO CN1C(=O)[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369442140 438474348 /nfs/dbraw/zinc/47/43/48/438474348.db2.gz XGSLYFKVSRUYOV-CYBMUJFWSA-N 1 1 334.332 0.552 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369442140 438474351 /nfs/dbraw/zinc/47/43/51/438474351.db2.gz XGSLYFKVSRUYOV-CYBMUJFWSA-N 1 1 334.332 0.552 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1[N+](=O)[O-] ZINC000438284169 438475081 /nfs/dbraw/zinc/47/50/81/438475081.db2.gz YGWDRKDYNDPOAK-QJPTWQEYSA-N 1 1 337.380 0.950 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369452262 438476549 /nfs/dbraw/zinc/47/65/49/438476549.db2.gz NXLVKTUICYKRKQ-CQSZACIVSA-N 1 1 348.359 0.942 20 5 ECBDMO CC1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000420953687 438449737 /nfs/dbraw/zinc/44/97/37/438449737.db2.gz ZQGRFIQFOXMZDO-HIFRSBDPSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000420953687 438449741 /nfs/dbraw/zinc/44/97/41/438449741.db2.gz ZQGRFIQFOXMZDO-HIFRSBDPSA-N 1 1 340.376 0.806 20 5 ECBDMO C[C@@H](O)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968949 438452786 /nfs/dbraw/zinc/45/27/86/438452786.db2.gz AVZKRHGMQBTPRO-GFCCVEGCSA-N 1 1 345.421 0.966 20 5 ECBDMO CCOCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979829 438456231 /nfs/dbraw/zinc/45/62/31/438456231.db2.gz ZZLTWXVPIJERIR-UHFFFAOYSA-N 1 1 331.394 0.841 20 5 ECBDMO CCOCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420979829 438456232 /nfs/dbraw/zinc/45/62/32/438456232.db2.gz ZZLTWXVPIJERIR-UHFFFAOYSA-N 1 1 331.394 0.841 20 5 ECBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781332 438513729 /nfs/dbraw/zinc/51/37/29/438513729.db2.gz DCEFLSSYGFYLIU-HIFRSBDPSA-N 1 1 349.395 0.525 20 5 ECBDMO C[N@H+](CC(=O)NCc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000440696201 438561507 /nfs/dbraw/zinc/56/15/07/438561507.db2.gz IIEWUOCCVODNHQ-OAHLLOKOSA-N 1 1 347.375 0.400 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](C2CC2)C1 ZINC000452172074 438647141 /nfs/dbraw/zinc/64/71/41/438647141.db2.gz ULEIMZRJPXQCNI-LBPRGKRZSA-N 1 1 334.376 0.699 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1CCCO ZINC000452786380 438673186 /nfs/dbraw/zinc/67/31/86/438673186.db2.gz VAUALZCPURNCSL-CYBMUJFWSA-N 1 1 336.392 0.970 20 5 ECBDMO O=C1NCC[C@@]12CCC[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000575811685 438756056 /nfs/dbraw/zinc/75/60/56/438756056.db2.gz CMBCCZCYGGRPAV-CJNGLKHVSA-N 1 1 335.360 0.689 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863010 438846330 /nfs/dbraw/zinc/84/63/30/438846330.db2.gz NUMSCPMEDZWRNJ-QWHCGFSZSA-N 1 1 337.380 0.157 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)[C@H]2C1 ZINC000590011909 438897433 /nfs/dbraw/zinc/89/74/33/438897433.db2.gz MUZCOKDNWJRZIW-MFKMUULPSA-N 1 1 348.359 0.898 20 5 ECBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595823964 438867290 /nfs/dbraw/zinc/86/72/90/438867290.db2.gz WEZGPNXKCNXSPU-LBPRGKRZSA-N 1 1 337.380 0.444 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000589925682 438890662 /nfs/dbraw/zinc/89/06/62/438890662.db2.gz OAEWFMQHIFTGAH-PWSUYJOCSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589930341 438893464 /nfs/dbraw/zinc/89/34/64/438893464.db2.gz WNJSYQLDCBXNMB-MFKMUULPSA-N 1 1 341.389 0.928 20 5 ECBDMO CC(C)C[NH+]1CCC(NC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000565358331 438943531 /nfs/dbraw/zinc/94/35/31/438943531.db2.gz SZVNNAVVLRJVKS-OAHLLOKOSA-N 1 1 325.413 0.862 20 5 ECBDMO CC(C)CN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000565358331 438943535 /nfs/dbraw/zinc/94/35/35/438943535.db2.gz SZVNNAVVLRJVKS-OAHLLOKOSA-N 1 1 325.413 0.862 20 5 ECBDMO O=C(C[N@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000596071246 438921122 /nfs/dbraw/zinc/92/11/22/438921122.db2.gz NDJPHCPQLDKUSC-UHFFFAOYSA-N 1 1 349.391 0.830 20 5 ECBDMO O=C(C[N@@H+]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000596071246 438921125 /nfs/dbraw/zinc/92/11/25/438921125.db2.gz NDJPHCPQLDKUSC-UHFFFAOYSA-N 1 1 349.391 0.830 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596077759 438923008 /nfs/dbraw/zinc/92/30/08/438923008.db2.gz AVEAMAKIMSRVHQ-UHFFFAOYSA-N 1 1 335.364 0.316 20 5 ECBDMO C[NH+]1CCN(CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000517091458 438950862 /nfs/dbraw/zinc/95/08/62/438950862.db2.gz BKJQQEQDXZTOKT-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO C[C@H]1NC(=O)N(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1=O ZINC000459293570 438953288 /nfs/dbraw/zinc/95/32/88/438953288.db2.gz FVDSBXCITQLKJN-GFCCVEGCSA-N 1 1 347.375 0.657 20 5 ECBDMO COc1ccc(OCC[N@H+]2CCC[C@@](O)(CO)C2)c([N+](=O)[O-])c1 ZINC000459651718 438985943 /nfs/dbraw/zinc/98/59/43/438985943.db2.gz VNMHUIMVCMVGIR-HNNXBMFYSA-N 1 1 326.349 0.801 20 5 ECBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459831505 439013646 /nfs/dbraw/zinc/01/36/46/439013646.db2.gz RVDYIWKHVFWBOG-DUFXMDAXSA-N 1 1 339.348 0.934 20 5 ECBDMO Cn1cc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c([N+](=O)[O-])n1 ZINC000602436759 439086312 /nfs/dbraw/zinc/08/63/12/439086312.db2.gz ZQWCBJBRKVLOJP-UHFFFAOYSA-N 1 1 337.380 0.399 20 5 ECBDMO Cn1cc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c([N+](=O)[O-])n1 ZINC000602485251 439098232 /nfs/dbraw/zinc/09/82/32/439098232.db2.gz QSRVEIPELFRXFW-ZDUSSCGKSA-N 1 1 336.396 0.067 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nnnn1C1CC1 ZINC000591746350 439080972 /nfs/dbraw/zinc/08/09/72/439080972.db2.gz DDIUSNNPRQBWGM-LLVKDONJSA-N 1 1 334.336 0.446 20 5 ECBDMO Nc1nccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000521459031 439119823 /nfs/dbraw/zinc/11/98/23/439119823.db2.gz QBLOCWFNYJQGIU-NSHDSACASA-N 1 1 337.380 0.539 20 5 ECBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602705031 439125949 /nfs/dbraw/zinc/12/59/49/439125949.db2.gz YKHLLQLIKJIHAI-NSHDSACASA-N 1 1 335.286 0.829 20 5 ECBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602705031 439125952 /nfs/dbraw/zinc/12/59/52/439125952.db2.gz YKHLLQLIKJIHAI-NSHDSACASA-N 1 1 335.286 0.829 20 5 ECBDMO CC(C)(C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2)n1cc([N+](=O)[O-])cn1 ZINC000597624799 439140121 /nfs/dbraw/zinc/14/01/21/439140121.db2.gz LEORBLDVXAVOAP-GFCCVEGCSA-N 1 1 336.396 0.033 20 5 ECBDMO COc1c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000597624725 439140579 /nfs/dbraw/zinc/14/05/79/439140579.db2.gz KJFNDJPZXIKKDL-GFCCVEGCSA-N 1 1 334.376 0.723 20 5 ECBDMO COC(=O)[C@@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592389586 439219938 /nfs/dbraw/zinc/21/99/38/439219938.db2.gz YJPDHEKNIASNJE-LBPRGKRZSA-N 1 1 343.361 0.120 20 5 ECBDMO COc1ccc(CC(=O)NCC[N@H+]2CCCOCC2)cc1[N+](=O)[O-] ZINC000525878159 439224094 /nfs/dbraw/zinc/22/40/94/439224094.db2.gz FAAZUYFUSZIJKD-UHFFFAOYSA-N 1 1 337.376 0.984 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000598559842 439279839 /nfs/dbraw/zinc/27/98/39/439279839.db2.gz IQYYZFWLRQTWLJ-CQSZACIVSA-N 1 1 348.403 0.995 20 5 ECBDMO COCC[N@@H+](Cc1ccnn1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000489865214 439244106 /nfs/dbraw/zinc/24/41/06/439244106.db2.gz WEBUKELTHZFABS-CQSZACIVSA-N 1 1 338.368 0.034 20 5 ECBDMO COCC[N@H+](Cc1ccnn1C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000489865214 439244111 /nfs/dbraw/zinc/24/41/11/439244111.db2.gz WEBUKELTHZFABS-CQSZACIVSA-N 1 1 338.368 0.034 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489894003 439245744 /nfs/dbraw/zinc/24/57/44/439245744.db2.gz CXGOBJXNROPILI-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451853 439263597 /nfs/dbraw/zinc/26/35/97/439263597.db2.gz DGWVGCALZWLWEN-LLVKDONJSA-N 1 1 337.380 0.552 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451853 439263600 /nfs/dbraw/zinc/26/36/00/439263600.db2.gz DGWVGCALZWLWEN-LLVKDONJSA-N 1 1 337.380 0.552 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC000598451853 439263604 /nfs/dbraw/zinc/26/36/04/439263604.db2.gz DGWVGCALZWLWEN-LLVKDONJSA-N 1 1 337.380 0.552 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598509797 439270304 /nfs/dbraw/zinc/27/03/04/439270304.db2.gz MTNDPGWNYOXQIM-CYBMUJFWSA-N 1 1 330.348 0.577 20 5 ECBDMO COc1cc(CNCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599010202 439343681 /nfs/dbraw/zinc/34/36/81/439343681.db2.gz SHUDCNDYXBINJC-GFCCVEGCSA-N 1 1 325.365 0.768 20 5 ECBDMO COc1cc(CNCC[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599010202 439343689 /nfs/dbraw/zinc/34/36/89/439343689.db2.gz SHUDCNDYXBINJC-GFCCVEGCSA-N 1 1 325.365 0.768 20 5 ECBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599253867 439401649 /nfs/dbraw/zinc/40/16/49/439401649.db2.gz PODWMJQMKDKXSU-SNVBAGLBSA-N 1 1 331.398 0.291 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC([N@@H+]4CC[C@@H](O)C4)C3)cc2n(C)c1=O ZINC000593505997 439388883 /nfs/dbraw/zinc/38/88/83/439388883.db2.gz ZXEWQAYTHMADJK-LLVKDONJSA-N 1 1 347.375 0.040 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC([N@H+]4CC[C@@H](O)C4)C3)cc2n(C)c1=O ZINC000593505997 439388885 /nfs/dbraw/zinc/38/88/85/439388885.db2.gz ZXEWQAYTHMADJK-LLVKDONJSA-N 1 1 347.375 0.040 20 5 ECBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594233877 439529832 /nfs/dbraw/zinc/52/98/32/439529832.db2.gz PFVPZDHAUDVRPS-LSDHHAIUSA-N 1 1 334.376 0.598 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609257702 439555355 /nfs/dbraw/zinc/55/53/55/439555355.db2.gz ITCQHIRDMZKUPE-CYBMUJFWSA-N 1 1 349.391 0.604 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269537 439560554 /nfs/dbraw/zinc/56/05/54/439560554.db2.gz SWIZVJAYIVBAJU-CYBMUJFWSA-N 1 1 339.396 0.717 20 5 ECBDMO O=[N+]([O-])c1cc2c(cc1CN1CC[N@H+]3C[C@H](O)C[C@H]3C1)OCCO2 ZINC000594614674 439580623 /nfs/dbraw/zinc/58/06/23/439580623.db2.gz YUJDMLMIVYGIFO-QWHCGFSZSA-N 1 1 335.360 0.617 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[N@H+](C)CCO1 ZINC000610912394 439657703 /nfs/dbraw/zinc/65/77/03/439657703.db2.gz FDRIZUGAULYIQO-LKFCYVNXSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1C[N@@H+](C)CCO1 ZINC000610912394 439657708 /nfs/dbraw/zinc/65/77/08/439657708.db2.gz FDRIZUGAULYIQO-LKFCYVNXSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000611084716 439670988 /nfs/dbraw/zinc/67/09/88/439670988.db2.gz NDZZMHGZIBDFMP-VIFPVBQESA-N 1 1 330.362 0.889 20 5 ECBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000600806654 439704068 /nfs/dbraw/zinc/70/40/68/439704068.db2.gz DHBQDEGSFMMMRP-ZDUSSCGKSA-N 1 1 337.332 0.178 20 5 ECBDMO CC[N@H+]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000612662106 439735530 /nfs/dbraw/zinc/73/55/30/439735530.db2.gz ANDJMVGFZICMDN-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@@H+]1CCO ZINC000614895204 439789975 /nfs/dbraw/zinc/78/99/75/439789975.db2.gz PYZBSDHOBXGWJP-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+]1CCO ZINC000614895204 439789976 /nfs/dbraw/zinc/78/99/76/439789976.db2.gz PYZBSDHOBXGWJP-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000342280067 321084584 /nfs/dbraw/zinc/08/45/84/321084584.db2.gz KZGSZGLEBJWPMX-VXGBXAGGSA-N 1 1 334.376 0.969 20 5 ECBDMO CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000342373006 321087457 /nfs/dbraw/zinc/08/74/57/321087457.db2.gz VSJIBZWCMWPLDY-RYUDHWBXSA-N 1 1 338.364 0.338 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000545885190 322111597 /nfs/dbraw/zinc/11/15/97/322111597.db2.gz PQNJVLHXLCUILC-OAHLLOKOSA-N 1 1 338.364 0.339 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000577503377 322837246 /nfs/dbraw/zinc/83/72/46/322837246.db2.gz ZOFWTXPTLPZKKN-ZDUSSCGKSA-N 1 1 348.363 0.521 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000174630382 529280145 /nfs/dbraw/zinc/28/01/45/529280145.db2.gz JRTJDGJLUHTVJU-PWSUYJOCSA-N 1 1 339.396 0.554 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1C[C@@H](C)O ZINC000174630382 529280147 /nfs/dbraw/zinc/28/01/47/529280147.db2.gz JRTJDGJLUHTVJU-PWSUYJOCSA-N 1 1 339.396 0.554 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904459 536888683 /nfs/dbraw/zinc/88/86/83/536888683.db2.gz JHXTUIPZKYQRIP-CHWSQXEVSA-N 1 1 339.396 0.654 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000186894179 545900084 /nfs/dbraw/zinc/90/00/84/545900084.db2.gz AYWJAOZEFHQYRD-NSHDSACASA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736145488 578411014 /nfs/dbraw/zinc/41/10/14/578411014.db2.gz CDXOIEYWEZDJBJ-WDEREUQCSA-N 1 1 347.379 0.666 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000786867469 578795964 /nfs/dbraw/zinc/79/59/64/578795964.db2.gz ZEVQFJDKJVIMQF-NSHDSACASA-N 1 1 349.391 0.494 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592127 579285481 /nfs/dbraw/zinc/28/54/81/579285481.db2.gz TUAPXUFYVIICMQ-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592127 579285482 /nfs/dbraw/zinc/28/54/82/579285482.db2.gz TUAPXUFYVIICMQ-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761104186 579521860 /nfs/dbraw/zinc/52/18/60/579521860.db2.gz CHAUSEQHXGYKKO-CJNGLKHVSA-N 1 1 348.403 0.699 20 5 ECBDMO COc1cc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000892086617 586220931 /nfs/dbraw/zinc/22/09/31/586220931.db2.gz XMALKBWNJLYSSD-UHFFFAOYSA-N 1 1 338.364 0.798 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2ccccc21 ZINC000894349627 586388221 /nfs/dbraw/zinc/38/82/21/586388221.db2.gz NBVPVEQOZQHBKG-GFCCVEGCSA-N 1 1 344.371 0.702 20 5 ECBDMO Cn1c(=O)c([N+](=O)[O-])c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2ccccc21 ZINC000894349627 586388223 /nfs/dbraw/zinc/38/82/23/586388223.db2.gz NBVPVEQOZQHBKG-GFCCVEGCSA-N 1 1 344.371 0.702 20 5 ECBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000900803932 586664859 /nfs/dbraw/zinc/66/48/59/586664859.db2.gz LGWHPVBDYPTAAU-IUODEOHRSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000900803932 586664862 /nfs/dbraw/zinc/66/48/62/586664862.db2.gz LGWHPVBDYPTAAU-IUODEOHRSA-N 1 1 335.408 0.757 20 5 ECBDMO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000900803932 586664864 /nfs/dbraw/zinc/66/48/64/586664864.db2.gz LGWHPVBDYPTAAU-IUODEOHRSA-N 1 1 335.408 0.757 20 5 ECBDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839715152 586890039 /nfs/dbraw/zinc/89/00/39/586890039.db2.gz OEWPLJZHFWZZGP-MGPQQGTHSA-N 1 1 341.408 0.918 20 5 ECBDMO CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715152 586890041 /nfs/dbraw/zinc/89/00/41/586890041.db2.gz OEWPLJZHFWZZGP-MGPQQGTHSA-N 1 1 341.408 0.918 20 5 ECBDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839715152 586890043 /nfs/dbraw/zinc/89/00/43/586890043.db2.gz OEWPLJZHFWZZGP-MGPQQGTHSA-N 1 1 341.408 0.918 20 5 ECBDMO O=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839879822 586959623 /nfs/dbraw/zinc/95/96/23/586959623.db2.gz SGFVGXYIRASNJU-HUUCEWRRSA-N 1 1 333.388 0.795 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808160634 587146247 /nfs/dbraw/zinc/14/62/47/587146247.db2.gz QYUYFIDMEHWRJH-UWVGGRQHSA-N 1 1 338.339 0.597 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000817370292 587340052 /nfs/dbraw/zinc/34/00/52/587340052.db2.gz JDLGQMDHXVIQLP-GFCCVEGCSA-N 1 1 347.375 0.862 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000817370292 587340054 /nfs/dbraw/zinc/34/00/54/587340054.db2.gz JDLGQMDHXVIQLP-GFCCVEGCSA-N 1 1 347.375 0.862 20 5 ECBDMO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824302753 587866824 /nfs/dbraw/zinc/86/68/24/587866824.db2.gz DECYCEBJPLKEPC-JJXSEGSLSA-N 1 1 331.372 0.976 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000829576598 588330713 /nfs/dbraw/zinc/33/07/13/588330713.db2.gz DICNTPNOWYPXBY-NSHDSACASA-N 1 1 334.376 0.982 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000829576598 588330715 /nfs/dbraw/zinc/33/07/15/588330715.db2.gz DICNTPNOWYPXBY-NSHDSACASA-N 1 1 334.376 0.982 20 5 ECBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc2N1 ZINC000848767127 589310191 /nfs/dbraw/zinc/31/01/91/589310191.db2.gz FDNQBSMOFXDGJD-NWDGAFQWSA-N 1 1 332.360 0.735 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853554083 589547798 /nfs/dbraw/zinc/54/77/98/589547798.db2.gz UNQCIHOXZXHXFE-CYBMUJFWSA-N 1 1 348.359 0.867 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854353879 589581082 /nfs/dbraw/zinc/58/10/82/589581082.db2.gz ILERFSBXGVLXKK-LSDHHAIUSA-N 1 1 334.376 0.134 20 5 ECBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000868089679 589873296 /nfs/dbraw/zinc/87/32/96/589873296.db2.gz UPLFJGDFOUJZQL-CYBMUJFWSA-N 1 1 336.367 0.783 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000880193055 590375562 /nfs/dbraw/zinc/37/55/62/590375562.db2.gz OXQUSMGVHZCCPS-UHFFFAOYSA-N 1 1 336.348 0.283 20 5 ECBDMO Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589216 611356678 /nfs/dbraw/zinc/35/66/78/611356678.db2.gz MEWPIWFWABAYJM-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589216 611356679 /nfs/dbraw/zinc/35/66/79/611356679.db2.gz MEWPIWFWABAYJM-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1nccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589216 611356680 /nfs/dbraw/zinc/35/66/80/611356680.db2.gz MEWPIWFWABAYJM-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO COc1ccc(OCCN2CC[N@@H+](C)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000931406620 611536976 /nfs/dbraw/zinc/53/69/76/611536976.db2.gz BTFUXPKMTZWIKF-GFCCVEGCSA-N 1 1 325.365 0.591 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000916618257 609944055 /nfs/dbraw/zinc/94/40/55/609944055.db2.gz JPIMMLXCPHXZAH-JTQLQIEISA-N 1 1 325.321 0.897 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000916994002 609956765 /nfs/dbraw/zinc/95/67/65/609956765.db2.gz PZYLUSGUPOFVPZ-UHFFFAOYSA-N 1 1 335.364 0.833 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3C[C@H]4COC[C@H]4O3)CC2)cn1 ZINC000929170762 611735074 /nfs/dbraw/zinc/73/50/74/611735074.db2.gz BZVARSPYNINFKC-AEGPPILISA-N 1 1 334.376 0.916 20 5 ECBDMO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164668936 719483070 /nfs/dbraw/zinc/48/30/70/719483070.db2.gz RQMHWXZOBGPIIH-WDEREUQCSA-N 1 1 336.352 0.171 20 5 ECBDMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001025775925 739944937 /nfs/dbraw/zinc/94/49/37/739944937.db2.gz QXKDQXWJBLGKFY-LJIZCISZSA-N 1 1 330.388 0.910 20 5 ECBDMO Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001025775925 739944940 /nfs/dbraw/zinc/94/49/40/739944940.db2.gz QXKDQXWJBLGKFY-LJIZCISZSA-N 1 1 330.388 0.910 20 5 ECBDMO Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c(C)n1 ZINC001025775925 739944945 /nfs/dbraw/zinc/94/49/45/739944945.db2.gz QXKDQXWJBLGKFY-LJIZCISZSA-N 1 1 330.388 0.910 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2cnon2)CC1 ZINC001001960280 746845057 /nfs/dbraw/zinc/84/50/57/746845057.db2.gz YJYFASGSSJKNAU-UHFFFAOYSA-N 1 1 349.351 0.353 20 5 ECBDMO Cc1nccnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985434766 748007034 /nfs/dbraw/zinc/00/70/34/748007034.db2.gz UPECLXKSMXMCFK-UKRRQHHQSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1nccnc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434766 748007040 /nfs/dbraw/zinc/00/70/40/748007040.db2.gz UPECLXKSMXMCFK-UKRRQHHQSA-N 1 1 333.392 0.873 20 5 ECBDMO Cc1nccnc1C[N@H+](C)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985434766 748007044 /nfs/dbraw/zinc/00/70/44/748007044.db2.gz UPECLXKSMXMCFK-UKRRQHHQSA-N 1 1 333.392 0.873 20 5 ECBDMO O=C(Cn1cnnn1)N1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980677689 749963021 /nfs/dbraw/zinc/96/30/21/749963021.db2.gz RNEYYJBCXGMJIK-UHFFFAOYSA-N 1 1 345.363 0.316 20 5 ECBDMO O=C(Cn1cnnn1)N1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000980677689 749963024 /nfs/dbraw/zinc/96/30/24/749963024.db2.gz RNEYYJBCXGMJIK-UHFFFAOYSA-N 1 1 345.363 0.316 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001020903909 752315146 /nfs/dbraw/zinc/31/51/46/752315146.db2.gz HOEOHTRFKPRAHJ-HAQNSBGRSA-N 1 1 330.348 0.692 20 5 ECBDMO CN(C)C(=O)c1ccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001126938532 756801717 /nfs/dbraw/zinc/80/17/17/756801717.db2.gz CVHDKSWUODQXEE-ZIAGYGMSSA-N 1 1 334.376 0.259 20 5 ECBDMO CN(C)c1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccn1 ZINC000996428463 757653923 /nfs/dbraw/zinc/65/39/23/757653923.db2.gz FFHQGNHVLPFWTB-HUUCEWRRSA-N 1 1 347.419 0.893 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)CC1CCOCC1 ZINC001125050114 759527061 /nfs/dbraw/zinc/52/70/61/759527061.db2.gz MJAMJHQSKZHVHV-UHFFFAOYSA-N 1 1 325.369 0.351 20 5 ECBDMO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC001032048344 764302674 /nfs/dbraw/zinc/30/26/74/764302674.db2.gz PQODTTBNVHXMOJ-UHFFFAOYSA-N 1 1 330.348 0.585 20 5 ECBDMO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC001031630765 771534872 /nfs/dbraw/zinc/53/48/72/771534872.db2.gz RUNROUAJUPSAAH-UHFFFAOYSA-N 1 1 346.387 0.621 20 5 ECBDMO Cn1nncc1C(=O)NCC1C[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC001031644393 771578581 /nfs/dbraw/zinc/57/85/81/771578581.db2.gz VYZDGMBBUDXJJU-UHFFFAOYSA-N 1 1 330.348 0.585 20 5 ECBDMO COc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001020138941 772205480 /nfs/dbraw/zinc/20/54/80/772205480.db2.gz JADVJNIMZALNOC-FDYHWXHSSA-N 1 1 335.364 0.196 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C[NH+](CC)CC)C1 ZINC001079743862 776787806 /nfs/dbraw/zinc/78/78/06/776787806.db2.gz JBMRVLLCYPUYFM-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080189347 777522811 /nfs/dbraw/zinc/52/28/11/777522811.db2.gz PDHDPONABUCWGP-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CCC[N@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080189347 777522814 /nfs/dbraw/zinc/52/28/14/777522814.db2.gz PDHDPONABUCWGP-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CCC[N@@H+](C)CCC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080189347 777522818 /nfs/dbraw/zinc/52/28/18/777522818.db2.gz PDHDPONABUCWGP-ZIAGYGMSSA-N 1 1 340.424 0.443 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080192574 777532290 /nfs/dbraw/zinc/53/22/90/777532290.db2.gz TVXXZVFULMAGJI-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCC[N@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080192574 777532299 /nfs/dbraw/zinc/53/22/99/777532299.db2.gz TVXXZVFULMAGJI-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080192574 777532301 /nfs/dbraw/zinc/53/23/01/777532301.db2.gz TVXXZVFULMAGJI-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001080533897 777977155 /nfs/dbraw/zinc/97/71/55/777977155.db2.gz XXDSMEICQDDANJ-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCN(C(=O)CC[N@H+](C)CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080533897 777977160 /nfs/dbraw/zinc/97/71/60/777977160.db2.gz XXDSMEICQDDANJ-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CCN(C(=O)CC[N@@H+](C)CC)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080533897 777977164 /nfs/dbraw/zinc/97/71/64/777977164.db2.gz XXDSMEICQDDANJ-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068604880 215322003 /nfs/dbraw/zinc/32/20/03/215322003.db2.gz QGQWPRZDGIMMBV-UHFFFAOYSA-N 1 1 340.405 0.939 20 5 ECBDMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262739540 290936384 /nfs/dbraw/zinc/93/63/84/290936384.db2.gz IPBGZTSODINGJD-VIFPVBQESA-N 1 1 343.361 0.348 20 5 ECBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)CN1CC[NH+](C)CC1 ZINC000184403405 235388867 /nfs/dbraw/zinc/38/88/67/235388867.db2.gz NSFHBONQGGNWRT-LBPRGKRZSA-N 1 1 335.408 0.790 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@@H]2C1 ZINC000355345236 299241608 /nfs/dbraw/zinc/24/16/08/299241608.db2.gz MZWPJADGNPZICV-OLZOCXBDSA-N 1 1 337.380 0.421 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000186935947 236070603 /nfs/dbraw/zinc/07/06/03/236070603.db2.gz KAOFJZVQGRBXCC-NWDGAFQWSA-N 1 1 339.396 0.403 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000110865260 220073141 /nfs/dbraw/zinc/07/31/41/220073141.db2.gz GDBVVTKHIRJJHR-UHFFFAOYSA-N 1 1 338.412 0.196 20 5 ECBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803466 211098196 /nfs/dbraw/zinc/09/81/96/211098196.db2.gz PUBFQGZSNRGMRR-CHWSQXEVSA-N 1 1 346.409 0.051 20 5 ECBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000444803466 211098199 /nfs/dbraw/zinc/09/81/99/211098199.db2.gz PUBFQGZSNRGMRR-CHWSQXEVSA-N 1 1 346.409 0.051 20 5 ECBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CC(C)(C)O ZINC000444545619 211083271 /nfs/dbraw/zinc/08/32/71/211083271.db2.gz LBBJSXWUKJLPFJ-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CC(C)(C)O ZINC000444545619 211083274 /nfs/dbraw/zinc/08/32/74/211083274.db2.gz LBBJSXWUKJLPFJ-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CC(C)(C)O ZINC000444545629 211082530 /nfs/dbraw/zinc/08/25/30/211082530.db2.gz LBBJSXWUKJLPFJ-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CC(C)(C)O ZINC000444545629 211082533 /nfs/dbraw/zinc/08/25/33/211082533.db2.gz LBBJSXWUKJLPFJ-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@@H+](C)C1 ZINC000413511531 208337925 /nfs/dbraw/zinc/33/79/25/208337925.db2.gz ZTPAAXJUNCYYSS-VIFPVBQESA-N 1 1 326.328 0.857 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245889921 165117942 /nfs/dbraw/zinc/11/79/42/165117942.db2.gz FPZPLFGZFMBCRV-HIFRSBDPSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245889921 165117947 /nfs/dbraw/zinc/11/79/47/165117947.db2.gz FPZPLFGZFMBCRV-HIFRSBDPSA-N 1 1 337.376 0.935 20 5 ECBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000247647762 165165511 /nfs/dbraw/zinc/16/55/11/165165511.db2.gz VVIXJODOWUFMMT-TZMCWYRMSA-N 1 1 336.396 0.917 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471558 165178131 /nfs/dbraw/zinc/17/81/31/165178131.db2.gz VTWZTKKUXUYIQL-OCCSQVGLSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471558 165178137 /nfs/dbraw/zinc/17/81/37/165178137.db2.gz VTWZTKKUXUYIQL-OCCSQVGLSA-N 1 1 337.376 0.935 20 5 ECBDMO COC(=O)[C@H](C)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000248802299 165186880 /nfs/dbraw/zinc/18/68/80/165186880.db2.gz QOEIZRSAJIAUSX-GWCFXTLKSA-N 1 1 326.353 0.568 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248991133 165190708 /nfs/dbraw/zinc/19/07/08/165190708.db2.gz YGHSZYISZVCLRP-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248991133 165190711 /nfs/dbraw/zinc/19/07/11/165190711.db2.gz YGHSZYISZVCLRP-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159437315 225216537 /nfs/dbraw/zinc/21/65/37/225216537.db2.gz WUAXTAILYSHGBU-DGCLKSJQSA-N 1 1 337.380 0.816 20 5 ECBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000184313456 263158520 /nfs/dbraw/zinc/15/85/20/263158520.db2.gz OMXQVJCCVZMZLS-ZDUSSCGKSA-N 1 1 338.412 0.324 20 5 ECBDMO CNS(=O)(=O)C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269673327 263196055 /nfs/dbraw/zinc/19/60/55/263196055.db2.gz VJWMOILMQPGXGN-AWEZNQCLSA-N 1 1 343.405 0.642 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3cccnc3)CC2)c1 ZINC000270534866 263249383 /nfs/dbraw/zinc/24/93/83/263249383.db2.gz HDTHLNDPJZQGKG-MRXNPFEDSA-N 1 1 346.391 0.365 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000270975161 263289907 /nfs/dbraw/zinc/28/99/07/263289907.db2.gz IPJQPSSPXIDBEE-GHMZBOCLSA-N 1 1 339.396 0.946 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC([NH+](C)C)C1 ZINC000273023303 263387664 /nfs/dbraw/zinc/38/76/64/263387664.db2.gz ACMVOKNMZLCSMS-UHFFFAOYSA-N 1 1 343.361 0.316 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2c(F)cccc2F)c1 ZINC000273075638 263392468 /nfs/dbraw/zinc/39/24/68/263392468.db2.gz GHACMGSLXCYSSC-MFKMUULPSA-N 1 1 342.302 0.754 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827236 264242543 /nfs/dbraw/zinc/24/25/43/264242543.db2.gz AVADOXCKENEMRL-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827236 264242544 /nfs/dbraw/zinc/24/25/44/264242544.db2.gz AVADOXCKENEMRL-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827236 264242545 /nfs/dbraw/zinc/24/25/45/264242545.db2.gz AVADOXCKENEMRL-VXGBXAGGSA-N 1 1 337.380 0.816 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000285105576 264278427 /nfs/dbraw/zinc/27/84/27/264278427.db2.gz UKTUWUSOQWGHBI-GJZGRUSLSA-N 1 1 334.376 0.938 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839918 264343726 /nfs/dbraw/zinc/34/37/26/264343726.db2.gz PTLOWLFDYXNGIZ-WDEREUQCSA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839918 264343728 /nfs/dbraw/zinc/34/37/28/264343728.db2.gz PTLOWLFDYXNGIZ-WDEREUQCSA-N 1 1 337.380 0.986 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000285839918 264343730 /nfs/dbraw/zinc/34/37/30/264343730.db2.gz PTLOWLFDYXNGIZ-WDEREUQCSA-N 1 1 337.380 0.986 20 5 ECBDMO CN(CC(=O)NCC[N@H+]1CCCOCC1)c1ccccc1[N+](=O)[O-] ZINC000189444096 437600245 /nfs/dbraw/zinc/60/02/45/437600245.db2.gz OJLUSRMLLUUVDQ-UHFFFAOYSA-N 1 1 336.392 0.870 20 5 ECBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000338373146 297262321 /nfs/dbraw/zinc/26/23/21/297262321.db2.gz ITARCQMACBCHDC-AWEZNQCLSA-N 1 1 348.403 0.793 20 5 ECBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)N1CCC[C@H](C(N)=O)C1 ZINC000338373146 297262323 /nfs/dbraw/zinc/26/23/23/297262323.db2.gz ITARCQMACBCHDC-AWEZNQCLSA-N 1 1 348.403 0.793 20 5 ECBDMO C[C@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC[N@H+]1C ZINC000344603114 298041226 /nfs/dbraw/zinc/04/12/26/298041226.db2.gz QBVHEKOYAXAONF-FZMZJTMJSA-N 1 1 334.376 0.924 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000345330371 298144895 /nfs/dbraw/zinc/14/48/95/298144895.db2.gz SZRDUAWVBIKIRJ-UHFFFAOYSA-N 1 1 326.401 0.284 20 5 ECBDMO CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])nn1C)CC[NH+](C)C ZINC000345330371 298144897 /nfs/dbraw/zinc/14/48/97/298144897.db2.gz SZRDUAWVBIKIRJ-UHFFFAOYSA-N 1 1 326.401 0.284 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582357 300108153 /nfs/dbraw/zinc/10/81/53/300108153.db2.gz IZOOAVPHIBMIAD-SWLSCSKDSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582357 300108155 /nfs/dbraw/zinc/10/81/55/300108155.db2.gz IZOOAVPHIBMIAD-SWLSCSKDSA-N 1 1 349.387 0.956 20 5 ECBDMO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000362115300 300164028 /nfs/dbraw/zinc/16/40/28/300164028.db2.gz CDIOCSMFCAGZMY-GFCCVEGCSA-N 1 1 336.396 0.558 20 5 ECBDMO CN(C(=O)c1n[nH]cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362115300 300164030 /nfs/dbraw/zinc/16/40/30/300164030.db2.gz CDIOCSMFCAGZMY-GFCCVEGCSA-N 1 1 336.396 0.558 20 5 ECBDMO CC(C)(C)NC(=O)CN1CCCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1 ZINC000363086726 300244918 /nfs/dbraw/zinc/24/49/18/300244918.db2.gz GJGZPEROYGIFOL-NWDGAFQWSA-N 1 1 326.397 0.101 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363865222 300300938 /nfs/dbraw/zinc/30/09/38/300300938.db2.gz GLSZOJYQUJAYKP-OLZOCXBDSA-N 1 1 335.364 0.243 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000364510841 300363070 /nfs/dbraw/zinc/36/30/70/300363070.db2.gz YFLKLUQIILCALC-KBPBESRZSA-N 1 1 333.348 0.873 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000372720347 301021807 /nfs/dbraw/zinc/02/18/07/301021807.db2.gz AYAGJDPBGRAWBW-CABCVRRESA-N 1 1 334.376 0.848 20 5 ECBDMO CC(C)C[N@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026128181 436161109 /nfs/dbraw/zinc/16/11/09/436161109.db2.gz UTXAYJNEVXAZQN-CYBMUJFWSA-N 1 1 325.365 0.778 20 5 ECBDMO O=C1CCCN1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548840 436432786 /nfs/dbraw/zinc/43/27/86/436432786.db2.gz MNBKQLDWSMUERS-CYBMUJFWSA-N 1 1 334.376 0.843 20 5 ECBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000104102433 436557707 /nfs/dbraw/zinc/55/77/07/436557707.db2.gz INQMKSPJNWYVDO-UHFFFAOYSA-N 1 1 344.437 0.709 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000194079682 436660331 /nfs/dbraw/zinc/66/03/31/436660331.db2.gz JJIPRDIXEYAHQP-GFCCVEGCSA-N 1 1 339.396 0.723 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])cnc2C)CC1 ZINC000551970218 302376587 /nfs/dbraw/zinc/37/65/87/302376587.db2.gz BKYHRWDWGLSIKZ-UHFFFAOYSA-N 1 1 335.364 0.192 20 5 ECBDMO NC(=O)C1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067374548 436712098 /nfs/dbraw/zinc/71/20/98/436712098.db2.gz PIJWCCGMXSRMOZ-AWEZNQCLSA-N 1 1 332.360 0.897 20 5 ECBDMO C[C@H](CS(C)(=O)=O)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247477005 436795118 /nfs/dbraw/zinc/79/51/18/436795118.db2.gz JUOAJSSLBRCTNV-MFKMUULPSA-N 1 1 346.409 0.050 20 5 ECBDMO C[C@H](CS(C)(=O)=O)[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000247477005 436795121 /nfs/dbraw/zinc/79/51/21/436795121.db2.gz JUOAJSSLBRCTNV-MFKMUULPSA-N 1 1 346.409 0.050 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155537348 436797932 /nfs/dbraw/zinc/79/79/32/436797932.db2.gz NYWVUIDURNWVQL-UHFFFAOYSA-N 1 1 335.357 0.590 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000155537348 436797933 /nfs/dbraw/zinc/79/79/33/436797933.db2.gz NYWVUIDURNWVQL-UHFFFAOYSA-N 1 1 335.357 0.590 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000157944108 436837487 /nfs/dbraw/zinc/83/74/87/436837487.db2.gz LEEKRKMVILTSOP-WFASDCNBSA-N 1 1 336.392 0.866 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000157944108 436837490 /nfs/dbraw/zinc/83/74/90/436837490.db2.gz LEEKRKMVILTSOP-WFASDCNBSA-N 1 1 336.392 0.866 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000280769395 436919996 /nfs/dbraw/zinc/91/99/96/436919996.db2.gz PBWFJCDRABRBAR-MRXNPFEDSA-N 1 1 332.360 0.681 20 5 ECBDMO C[N@H+](CC(C)(CO)CO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135888709 436925950 /nfs/dbraw/zinc/92/59/50/436925950.db2.gz GPRFJCFOWQBGNT-CQSZACIVSA-N 1 1 337.376 0.623 20 5 ECBDMO C[N@@H+](CC(C)(CO)CO)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000135888709 436925954 /nfs/dbraw/zinc/92/59/54/436925954.db2.gz GPRFJCFOWQBGNT-CQSZACIVSA-N 1 1 337.376 0.623 20 5 ECBDMO CCOCC[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161479139 436892699 /nfs/dbraw/zinc/89/26/99/436892699.db2.gz DFCYEWWTDGQZAI-UHFFFAOYSA-N 1 1 340.384 0.155 20 5 ECBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134324140 436895702 /nfs/dbraw/zinc/89/57/02/436895702.db2.gz KXOFWZLICSLRSV-LLVKDONJSA-N 1 1 331.398 0.193 20 5 ECBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000134324140 436895707 /nfs/dbraw/zinc/89/57/07/436895707.db2.gz KXOFWZLICSLRSV-LLVKDONJSA-N 1 1 331.398 0.193 20 5 ECBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1C[N@H+](C)CCO1 ZINC000134988321 436908922 /nfs/dbraw/zinc/90/89/22/436908922.db2.gz UBIMOBDTVDFQET-PRHODGIISA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1C[N@@H+](C)CCO1 ZINC000134988321 436908926 /nfs/dbraw/zinc/90/89/26/436908926.db2.gz UBIMOBDTVDFQET-PRHODGIISA-N 1 1 326.328 0.765 20 5 ECBDMO COc1ccc(S(=O)(=O)NCC(F)(F)C[NH3+])cc1[N+](=O)[O-] ZINC000162628247 436910370 /nfs/dbraw/zinc/91/03/70/436910370.db2.gz VMUPGWXZXOOWLM-UHFFFAOYSA-N 1 1 325.293 0.476 20 5 ECBDMO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275440032 436969474 /nfs/dbraw/zinc/96/94/74/436969474.db2.gz BSNBQNNHXNATIE-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275440032 436969477 /nfs/dbraw/zinc/96/94/77/436969477.db2.gz BSNBQNNHXNATIE-JTQLQIEISA-N 1 1 325.369 0.246 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCNS(=O)(=O)N(C)C ZINC000298065700 437023699 /nfs/dbraw/zinc/02/36/99/437023699.db2.gz KPHJPCNVGSZNAP-UHFFFAOYSA-N 1 1 346.409 0.479 20 5 ECBDMO C[C@@H]1C[N@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000298138849 437029638 /nfs/dbraw/zinc/02/96/38/437029638.db2.gz QPFSITTZXNQGCS-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@@H]1C[N@@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000298138849 437029643 /nfs/dbraw/zinc/02/96/43/437029643.db2.gz QPFSITTZXNQGCS-CQSZACIVSA-N 1 1 335.408 0.833 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000264467074 437033234 /nfs/dbraw/zinc/03/32/34/437033234.db2.gz FRVXGMNPLNPXKY-GFCCVEGCSA-N 1 1 325.369 0.327 20 5 ECBDMO C[N@@H+](CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000296219991 436986244 /nfs/dbraw/zinc/98/62/44/436986244.db2.gz ADPCHMWHHTXIJK-UHFFFAOYSA-N 1 1 348.407 0.916 20 5 ECBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC000275598288 436987839 /nfs/dbraw/zinc/98/78/39/436987839.db2.gz HOXSPOQNHCFGSE-JTQLQIEISA-N 1 1 338.364 0.613 20 5 ECBDMO CC[N@@H+](CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282100340 437009684 /nfs/dbraw/zinc/00/96/84/437009684.db2.gz PEURJTAEEZSGPX-CQSZACIVSA-N 1 1 328.365 0.665 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274101 437082154 /nfs/dbraw/zinc/08/21/54/437082154.db2.gz ZRWPUJLVXGCNDN-GHMZBOCLSA-N 1 1 341.364 0.606 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274101 437082158 /nfs/dbraw/zinc/08/21/58/437082158.db2.gz ZRWPUJLVXGCNDN-GHMZBOCLSA-N 1 1 341.364 0.606 20 5 ECBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174864291 437088870 /nfs/dbraw/zinc/08/88/70/437088870.db2.gz VQYQERBMAPUACZ-ZDUSSCGKSA-N 1 1 326.353 0.835 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000264855664 437094829 /nfs/dbraw/zinc/09/48/29/437094829.db2.gz PIZWTDBUWCLVMN-ZDUSSCGKSA-N 1 1 349.391 0.204 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301210492 437114951 /nfs/dbraw/zinc/11/49/51/437114951.db2.gz SSQMNQOYAVFTDD-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCCO1 ZINC000277949722 437267936 /nfs/dbraw/zinc/26/79/36/437267936.db2.gz ILCJQANJEWBASB-NSHDSACASA-N 1 1 338.364 0.926 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000326877935 437235151 /nfs/dbraw/zinc/23/51/51/437235151.db2.gz WPMXFIOQRYDVOB-GFCCVEGCSA-N 1 1 336.348 0.244 20 5 ECBDMO C[C@H](O)CC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000266761711 437239642 /nfs/dbraw/zinc/23/96/42/437239642.db2.gz SYRHJDMKSLRCNZ-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO C[C@H](O)CC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000266761711 437239648 /nfs/dbraw/zinc/23/96/48/437239648.db2.gz SYRHJDMKSLRCNZ-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO Cc1n[nH]c(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278347890 437305856 /nfs/dbraw/zinc/30/58/56/437305856.db2.gz AQORSSKKTWLPGJ-SNVBAGLBSA-N 1 1 325.369 0.857 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000334009005 437293485 /nfs/dbraw/zinc/29/34/85/437293485.db2.gz QFBLMEVKCQHQSF-NWDGAFQWSA-N 1 1 334.376 0.876 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000334009005 437293489 /nfs/dbraw/zinc/29/34/89/437293489.db2.gz QFBLMEVKCQHQSF-NWDGAFQWSA-N 1 1 334.376 0.876 20 5 ECBDMO CC(C)NC(=O)C[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198917 437341505 /nfs/dbraw/zinc/34/15/05/437341505.db2.gz WGFSPDPFRQYKSJ-LBPRGKRZSA-N 1 1 325.365 0.791 20 5 ECBDMO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182198917 437341509 /nfs/dbraw/zinc/34/15/09/437341509.db2.gz WGFSPDPFRQYKSJ-LBPRGKRZSA-N 1 1 325.365 0.791 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000288796875 437356234 /nfs/dbraw/zinc/35/62/34/437356234.db2.gz YOLSOCRAWGAPKR-UHFFFAOYSA-N 1 1 338.408 0.973 20 5 ECBDMO CN(CCCNC(=O)COc1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000288796875 437356236 /nfs/dbraw/zinc/35/62/36/437356236.db2.gz YOLSOCRAWGAPKR-UHFFFAOYSA-N 1 1 338.408 0.973 20 5 ECBDMO Cc1ccc(C[N@@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181988484 437334895 /nfs/dbraw/zinc/33/48/95/437334895.db2.gz KIAKENVODWMAFF-INIZCTEOSA-N 1 1 334.376 0.955 20 5 ECBDMO Cc1nnc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC000268520724 437429918 /nfs/dbraw/zinc/42/99/18/437429918.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520724 437429920 /nfs/dbraw/zinc/42/99/20/437429920.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000268520724 437429921 /nfs/dbraw/zinc/42/99/21/437429921.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520724 437429924 /nfs/dbraw/zinc/42/99/24/437429924.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 1 1 335.368 0.458 20 5 ECBDMO Cc1nc([C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n[nH]1 ZINC000268520724 437429927 /nfs/dbraw/zinc/42/99/27/437429927.db2.gz WLSKCFDAOHWNAB-AAEUAGOBSA-N 1 1 335.368 0.458 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000339047652 437437497 /nfs/dbraw/zinc/43/74/97/437437497.db2.gz NHMNULTYJQDZJA-NXEZZACHSA-N 1 1 331.398 0.572 20 5 ECBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000187698627 437510475 /nfs/dbraw/zinc/51/04/75/437510475.db2.gz PZSSNQGYAJQGRW-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCO ZINC000187698627 437510482 /nfs/dbraw/zinc/51/04/82/437510482.db2.gz PZSSNQGYAJQGRW-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000188711550 437567208 /nfs/dbraw/zinc/56/72/08/437567208.db2.gz LVMJXJPTFARLEP-LLVKDONJSA-N 1 1 325.369 0.095 20 5 ECBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(CO)CCOCC1 ZINC000190999688 437645143 /nfs/dbraw/zinc/64/51/43/437645143.db2.gz PAHQZZJHBRAGFR-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO O=C1CC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751183 437647933 /nfs/dbraw/zinc/64/79/33/437647933.db2.gz OWVMAMSAJGDACM-QWHCGFSZSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751183 437647940 /nfs/dbraw/zinc/64/79/40/437647940.db2.gz OWVMAMSAJGDACM-QWHCGFSZSA-N 1 1 335.360 0.641 20 5 ECBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343818031 437666133 /nfs/dbraw/zinc/66/61/33/437666133.db2.gz AXVGVMNIQCHERA-CYBMUJFWSA-N 1 1 336.392 0.851 20 5 ECBDMO Cc1c(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000355128974 437674426 /nfs/dbraw/zinc/67/44/26/437674426.db2.gz IFJSZZOBAIYFMF-ZDUSSCGKSA-N 1 1 346.387 0.872 20 5 ECBDMO Cc1nn(C)c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000331261857 437728948 /nfs/dbraw/zinc/72/89/48/437728948.db2.gz CYHREEQUKVKAOG-UHFFFAOYSA-N 1 1 338.412 0.393 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370709720 437820478 /nfs/dbraw/zinc/82/04/78/437820478.db2.gz UHCNMLRSRXTXQU-NWANDNLSSA-N 1 1 348.407 0.917 20 5 ECBDMO CCOCCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365120045 437863383 /nfs/dbraw/zinc/86/33/83/437863383.db2.gz FQHRPIDRNXAFGB-UHFFFAOYSA-N 1 1 325.369 0.581 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)C1CCC1 ZINC000371282800 437910228 /nfs/dbraw/zinc/91/02/28/437910228.db2.gz CQGMSPBUPUEDFP-CYBMUJFWSA-N 1 1 334.376 0.747 20 5 ECBDMO O=C(N[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)C1CCC1 ZINC000371282800 437910235 /nfs/dbraw/zinc/91/02/35/437910235.db2.gz CQGMSPBUPUEDFP-CYBMUJFWSA-N 1 1 334.376 0.747 20 5 ECBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000357394572 437978902 /nfs/dbraw/zinc/97/89/02/437978902.db2.gz WMEGPQIIXUKMED-CYBMUJFWSA-N 1 1 329.378 0.727 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357663377 438039482 /nfs/dbraw/zinc/03/94/82/438039482.db2.gz KMBVBMWCPFFTEF-NSHDSACASA-N 1 1 349.391 0.778 20 5 ECBDMO CC(C)C[N@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000372185197 438046714 /nfs/dbraw/zinc/04/67/14/438046714.db2.gz INVIIMCAQNOQNK-UHFFFAOYSA-N 1 1 336.392 0.947 20 5 ECBDMO NC(=O)c1ccnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000357489740 438000021 /nfs/dbraw/zinc/00/00/21/438000021.db2.gz RMKNTYRHTYVUMU-NSHDSACASA-N 1 1 335.364 0.247 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000366353255 438058452 /nfs/dbraw/zinc/05/84/52/438058452.db2.gz DCAHYTBSCAHHEE-KLHDSHLOSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000366353255 438058458 /nfs/dbraw/zinc/05/84/58/438058458.db2.gz DCAHYTBSCAHHEE-KLHDSHLOSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000366353255 438058461 /nfs/dbraw/zinc/05/84/61/438058461.db2.gz DCAHYTBSCAHHEE-KLHDSHLOSA-N 1 1 333.388 0.651 20 5 ECBDMO C[C@H]1C[N@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034616 438127816 /nfs/dbraw/zinc/12/78/16/438127816.db2.gz HIKPOPMGOVRQGY-FZMZJTMJSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034616 438127822 /nfs/dbraw/zinc/12/78/22/438127822.db2.gz HIKPOPMGOVRQGY-FZMZJTMJSA-N 1 1 342.421 0.413 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367373817 438201289 /nfs/dbraw/zinc/20/12/89/438201289.db2.gz YJMCRMDCOVKDEU-SNVBAGLBSA-N 1 1 336.348 0.739 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367373817 438201292 /nfs/dbraw/zinc/20/12/92/438201292.db2.gz YJMCRMDCOVKDEU-SNVBAGLBSA-N 1 1 336.348 0.739 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000367994437 438275235 /nfs/dbraw/zinc/27/52/35/438275235.db2.gz RPHSKDWGYBTSHA-NSHDSACASA-N 1 1 332.360 0.681 20 5 ECBDMO Nc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000368455290 438331617 /nfs/dbraw/zinc/33/16/17/438331617.db2.gz OCHMDPOAUSZNAI-YPMHNXCESA-N 1 1 347.379 0.404 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351877504 438354434 /nfs/dbraw/zinc/35/44/34/438354434.db2.gz QFBDUJGUFSGPGP-LLVKDONJSA-N 1 1 343.409 0.367 20 5 ECBDMO CN(C)S(=O)(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000351877504 438354436 /nfs/dbraw/zinc/35/44/36/438354436.db2.gz QFBDUJGUFSGPGP-LLVKDONJSA-N 1 1 343.409 0.367 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000352082943 438378617 /nfs/dbraw/zinc/37/86/17/438378617.db2.gz KLTBUCANAAXFNM-BZUAXINKSA-N 1 1 346.387 0.715 20 5 ECBDMO CN1CCO[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]21 ZINC000352082943 438378620 /nfs/dbraw/zinc/37/86/20/438378620.db2.gz KLTBUCANAAXFNM-BZUAXINKSA-N 1 1 346.387 0.715 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000369035357 438415453 /nfs/dbraw/zinc/41/54/53/438415453.db2.gz FHWJJVKPPBRACE-HIFRSBDPSA-N 1 1 337.376 0.935 20 5 ECBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000353562548 438510256 /nfs/dbraw/zinc/51/02/56/438510256.db2.gz VROHUEWCJCYIGP-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000353562548 438510258 /nfs/dbraw/zinc/51/02/58/438510258.db2.gz VROHUEWCJCYIGP-SNVBAGLBSA-N 1 1 325.369 0.246 20 5 ECBDMO CCO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000451935578 438616866 /nfs/dbraw/zinc/61/68/66/438616866.db2.gz JJZDGAGJUCJVNB-TZMCWYRMSA-N 1 1 339.348 0.935 20 5 ECBDMO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@H+](C2CC2)C1 ZINC000452172073 438646377 /nfs/dbraw/zinc/64/63/77/438646377.db2.gz ULEIMZRJPXQCNI-GFCCVEGCSA-N 1 1 334.376 0.699 20 5 ECBDMO O=c1[nH]c(NC[C@H]2CCC[N@@H+]2CCCO)nc2ccc([N+](=O)[O-])cc12 ZINC000450596693 438692978 /nfs/dbraw/zinc/69/29/78/438692978.db2.gz NSZCEXCFFGJHPE-GFCCVEGCSA-N 1 1 347.375 1.502 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453922140 438700431 /nfs/dbraw/zinc/70/04/31/438700431.db2.gz UVKPMGVVXMQFDP-RNCFNFMXSA-N 1 1 336.323 0.835 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCOCCO)C1CCC1 ZINC000595595675 438831037 /nfs/dbraw/zinc/83/10/37/438831037.db2.gz KMIONPIAVCRHHM-UHFFFAOYSA-N 1 1 325.365 0.620 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860520 438843311 /nfs/dbraw/zinc/84/33/11/438843311.db2.gz GRYZIXIVESCJFA-ZIAGYGMSSA-N 1 1 335.360 0.641 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590281508 438907024 /nfs/dbraw/zinc/90/70/24/438907024.db2.gz OBLOSYUXCYARMA-ZWNOBZJWSA-N 1 1 348.359 0.704 20 5 ECBDMO C[N@H+]1CCC[C@@H](N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000589573424 438878194 /nfs/dbraw/zinc/87/81/94/438878194.db2.gz KPNPGJJBAYAWFN-GFCCVEGCSA-N 1 1 348.407 0.305 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000590354942 438913042 /nfs/dbraw/zinc/91/30/42/438913042.db2.gz DXPCORMZUXVGRA-CYBMUJFWSA-N 1 1 334.376 0.723 20 5 ECBDMO C[N@H+]1CC[C@H](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000602158670 439026784 /nfs/dbraw/zinc/02/67/84/439026784.db2.gz OVRNUMHCIKBMOI-CYBMUJFWSA-N 1 1 333.392 0.980 20 5 ECBDMO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000591756738 439080701 /nfs/dbraw/zinc/08/07/01/439080701.db2.gz XMGSZQFXZUNGGF-INIZCTEOSA-N 1 1 333.392 0.874 20 5 ECBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)CNCCn1cc([N+](=O)[O-])cn1 ZINC000591756738 439080708 /nfs/dbraw/zinc/08/07/08/439080708.db2.gz XMGSZQFXZUNGGF-INIZCTEOSA-N 1 1 333.392 0.874 20 5 ECBDMO CNc1nccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1[N+](=O)[O-] ZINC000597577881 439132492 /nfs/dbraw/zinc/13/24/92/439132492.db2.gz HMRZLDBZARVJNW-RYUDHWBXSA-N 1 1 337.355 1.290 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597627068 439144038 /nfs/dbraw/zinc/14/40/38/439144038.db2.gz XLUAUKIFVSTXDH-LBPRGKRZSA-N 1 1 348.359 0.443 20 5 ECBDMO COCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000602872990 439151087 /nfs/dbraw/zinc/15/10/87/439151087.db2.gz FZFFRCRXQTWION-JTQLQIEISA-N 1 1 340.302 0.971 20 5 ECBDMO COCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000602872990 439151091 /nfs/dbraw/zinc/15/10/91/439151091.db2.gz FZFFRCRXQTWION-JTQLQIEISA-N 1 1 340.302 0.971 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@H]1CO ZINC000602904775 439158482 /nfs/dbraw/zinc/15/84/82/439158482.db2.gz LPZRTAOOLFOEJM-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1CO ZINC000602904775 439158486 /nfs/dbraw/zinc/15/84/86/439158486.db2.gz LPZRTAOOLFOEJM-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)C[C@H]1CO ZINC000602904775 439158491 /nfs/dbraw/zinc/15/84/91/439158491.db2.gz LPZRTAOOLFOEJM-AWEZNQCLSA-N 1 1 336.392 0.840 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602989631 439178616 /nfs/dbraw/zinc/17/86/16/439178616.db2.gz XAGOVOYWRUWINI-UHFFFAOYSA-N 1 1 347.375 0.942 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000592368923 439212876 /nfs/dbraw/zinc/21/28/76/439212876.db2.gz QYHANJDHBHYDIG-NXEZZACHSA-N 1 1 329.378 0.974 20 5 ECBDMO CO[C@@H]1COC[C@H]1[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000582418689 439331550 /nfs/dbraw/zinc/33/15/50/439331550.db2.gz LSVQSCBGUJENHA-NOZJJQNGSA-N 1 1 339.304 0.265 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593094132 439339187 /nfs/dbraw/zinc/33/91/87/439339187.db2.gz IPJIUPJDYVIDMD-SLHUMEIXSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@@H]3C[C@H]2C[S@@]3=O)c1 ZINC000593094132 439339193 /nfs/dbraw/zinc/33/91/93/439339193.db2.gz IPJIUPJDYVIDMD-SLHUMEIXSA-N 1 1 326.374 0.540 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000604198266 439302915 /nfs/dbraw/zinc/30/29/15/439302915.db2.gz FAGBOLFZGAGMPH-ZDUSSCGKSA-N 1 1 334.376 0.925 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c1C ZINC000599104409 439358533 /nfs/dbraw/zinc/35/85/33/439358533.db2.gz ABFIVWZUSDYIQK-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C(C)(C)C1 ZINC000593338361 439368995 /nfs/dbraw/zinc/36/89/95/439368995.db2.gz HWRZMOXEYDARPF-UHFFFAOYSA-N 1 1 339.396 0.820 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)C(C)(C)C1 ZINC000593338361 439368999 /nfs/dbraw/zinc/36/89/99/439368999.db2.gz HWRZMOXEYDARPF-UHFFFAOYSA-N 1 1 339.396 0.820 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)nc1 ZINC000593542390 439399508 /nfs/dbraw/zinc/39/95/08/439399508.db2.gz SXRYGQJXRRZEKL-NSHDSACASA-N 1 1 326.378 0.752 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000599263813 439406330 /nfs/dbraw/zinc/40/63/30/439406330.db2.gz RTIUCWKJGGJTSC-GHMZBOCLSA-N 1 1 343.409 0.433 20 5 ECBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593853834 439477330 /nfs/dbraw/zinc/47/73/30/439477330.db2.gz GAZWWFVDOPJEPQ-OAHLLOKOSA-N 1 1 344.371 0.827 20 5 ECBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593853834 439477333 /nfs/dbraw/zinc/47/73/33/439477333.db2.gz GAZWWFVDOPJEPQ-OAHLLOKOSA-N 1 1 344.371 0.827 20 5 ECBDMO NC(=O)C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599662837 439531488 /nfs/dbraw/zinc/53/14/88/439531488.db2.gz AXVAFGGWPJMOKL-NSHDSACASA-N 1 1 336.348 0.500 20 5 ECBDMO NC(=O)C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000599662837 439531493 /nfs/dbraw/zinc/53/14/93/439531493.db2.gz AXVAFGGWPJMOKL-NSHDSACASA-N 1 1 336.348 0.500 20 5 ECBDMO CNc1nccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000594289991 439535640 /nfs/dbraw/zinc/53/56/40/439535640.db2.gz FQJPNJDRVPZWJM-OLZOCXBDSA-N 1 1 349.391 0.703 20 5 ECBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393766 439553594 /nfs/dbraw/zinc/55/35/94/439553594.db2.gz PDJPFISCYQMHLE-WDEREUQCSA-N 1 1 335.316 0.215 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265103 439607675 /nfs/dbraw/zinc/60/76/75/439607675.db2.gz PFTAFYDIZHYHQJ-MNOVXSKESA-N 1 1 328.394 0.951 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584742354 439613158 /nfs/dbraw/zinc/61/31/58/439613158.db2.gz MKAHNCVGQOWPIE-UHFFFAOYSA-N 1 1 345.425 0.152 20 5 ECBDMO CN(CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-])CC[NH+](C)C ZINC000584742354 439613161 /nfs/dbraw/zinc/61/31/61/439613161.db2.gz MKAHNCVGQOWPIE-UHFFFAOYSA-N 1 1 345.425 0.152 20 5 ECBDMO Cn1c2cc(NCCC[NH+]3CCOCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000586932477 439666088 /nfs/dbraw/zinc/66/60/88/439666088.db2.gz NQLXZEKNRVPNSE-UHFFFAOYSA-N 1 1 349.391 0.919 20 5 ECBDMO COC(=O)COc1ccc(CNC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000600775187 439700730 /nfs/dbraw/zinc/70/07/30/439700730.db2.gz LOHANYFCAGFNAE-GFCCVEGCSA-N 1 1 339.348 0.225 20 5 ECBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808718 439704026 /nfs/dbraw/zinc/70/40/26/439704026.db2.gz QCPDPPMFGSKZIZ-HNNXBMFYSA-N 1 1 336.392 0.970 20 5 ECBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000595344086 439709141 /nfs/dbraw/zinc/70/91/41/439709141.db2.gz LHEHFEXZJSMYHP-CQSZACIVSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)CN1CCOCC1 ZINC000595344086 439709145 /nfs/dbraw/zinc/70/91/45/439709145.db2.gz LHEHFEXZJSMYHP-CQSZACIVSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@H+]1CC[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000574188820 439688643 /nfs/dbraw/zinc/68/86/43/439688643.db2.gz JAHDZMPCZGUSJU-CYBMUJFWSA-N 1 1 346.387 0.831 20 5 ECBDMO COc1ccc(CN(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000611316199 439689608 /nfs/dbraw/zinc/68/96/08/439689608.db2.gz PLSMEIHFLSFLDE-UHFFFAOYSA-N 1 1 336.392 0.809 20 5 ECBDMO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1[N+](=O)[O-] ZINC000342280065 321084642 /nfs/dbraw/zinc/08/46/42/321084642.db2.gz KZGSZGLEBJWPMX-RYUDHWBXSA-N 1 1 334.376 0.969 20 5 ECBDMO COC1CC[NH+](C(C)(C)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000343571329 321135274 /nfs/dbraw/zinc/13/52/74/321135274.db2.gz COGBWYJZIWLQHR-UHFFFAOYSA-N 1 1 325.369 0.937 20 5 ECBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000344653956 321158948 /nfs/dbraw/zinc/15/89/48/321158948.db2.gz BQUNNOXZRZGFSD-CQSZACIVSA-N 1 1 336.392 0.993 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352795813 321372416 /nfs/dbraw/zinc/37/24/16/321372416.db2.gz FUPHLUJVJAOJKY-QWHCGFSZSA-N 1 1 339.348 0.624 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000560388467 322238647 /nfs/dbraw/zinc/23/86/47/322238647.db2.gz BYJPSPNUPOACMU-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000562400895 322272562 /nfs/dbraw/zinc/27/25/62/322272562.db2.gz IDEUDPOWCNLGKG-UHFFFAOYSA-N 1 1 338.368 0.038 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000563085549 322297117 /nfs/dbraw/zinc/29/71/17/322297117.db2.gz NLOXAOJWESMAPU-MRCXROJRSA-N 1 1 339.348 0.934 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000184336587 528551589 /nfs/dbraw/zinc/55/15/89/528551589.db2.gz ZVERQNIDKQRARZ-UHFFFAOYSA-N 1 1 331.394 0.496 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251901 546310631 /nfs/dbraw/zinc/31/06/31/546310631.db2.gz ABOSTDVCNGEFLU-STQMWFEESA-N 1 1 325.344 0.826 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619253033 546311286 /nfs/dbraw/zinc/31/12/86/546311286.db2.gz PQJOMHSFTJUYBI-OLZOCXBDSA-N 1 1 338.339 0.401 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000619873556 546376107 /nfs/dbraw/zinc/37/61/07/546376107.db2.gz MPNSBQNHXJGRIA-GFCCVEGCSA-N 1 1 344.375 0.591 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736145461 578410960 /nfs/dbraw/zinc/41/09/60/578410960.db2.gz CAVPGHBIGUOLSE-QWRGUYRKSA-N 1 1 347.379 0.666 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736145483 578411009 /nfs/dbraw/zinc/41/10/09/578411009.db2.gz CDXOIEYWEZDJBJ-MNOVXSKESA-N 1 1 347.379 0.666 20 5 ECBDMO CC[N@@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736567970 578437147 /nfs/dbraw/zinc/43/71/47/578437147.db2.gz IFJYFHBNZMQQOU-LLVKDONJSA-N 1 1 333.352 0.908 20 5 ECBDMO CC[N@H+]1CCO[C@H](CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736567970 578437148 /nfs/dbraw/zinc/43/71/48/578437148.db2.gz IFJYFHBNZMQQOU-LLVKDONJSA-N 1 1 333.352 0.908 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1O ZINC000768767347 579131247 /nfs/dbraw/zinc/13/12/47/579131247.db2.gz FBUGNLDMJVTZAL-CJNGLKHVSA-N 1 1 348.403 0.556 20 5 ECBDMO Cn1nc2c(cc1=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776274650 579279376 /nfs/dbraw/zinc/27/93/76/579279376.db2.gz BOJUWGRBTKVHOY-HNNXBMFYSA-N 1 1 330.344 0.780 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592389 579285414 /nfs/dbraw/zinc/28/54/14/579285414.db2.gz NPOSRCUYEIWULC-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776592389 579285416 /nfs/dbraw/zinc/28/54/16/579285416.db2.gz NPOSRCUYEIWULC-UONOGXRCSA-N 1 1 343.405 0.642 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808160633 587146570 /nfs/dbraw/zinc/14/65/70/587146570.db2.gz QYUYFIDMEHWRJH-NXEZZACHSA-N 1 1 338.339 0.597 20 5 ECBDMO CCOC(=O)Cc1ccc(N2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000825512699 587947506 /nfs/dbraw/zinc/94/75/06/587947506.db2.gz OVZHIYWHWRBGNA-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825747379 587959243 /nfs/dbraw/zinc/95/92/43/587959243.db2.gz UPFVGZKIKYEBLL-ZFWWWQNUSA-N 1 1 337.376 0.855 20 5 ECBDMO COc1cc(S(=O)(=O)N(C)CC2C[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000849448099 589335374 /nfs/dbraw/zinc/33/53/74/589335374.db2.gz ZRNQQTSIQXGAAA-UHFFFAOYSA-N 1 1 329.378 0.786 20 5 ECBDMO CN1CC(=O)N(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000851714466 589417582 /nfs/dbraw/zinc/41/75/82/589417582.db2.gz RORLBCWZMIOJSD-UHFFFAOYSA-N 1 1 347.375 0.611 20 5 ECBDMO Cc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710210 589877543 /nfs/dbraw/zinc/87/75/43/589877543.db2.gz AOJKHTUOKSLLLU-VXGBXAGGSA-N 1 1 334.376 0.767 20 5 ECBDMO O=C(NC1CC([NH+]2CCOCC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000862108322 589920701 /nfs/dbraw/zinc/92/07/01/589920701.db2.gz TUWRHWDDDSEYPE-ZALBZXLWSA-N 1 1 335.360 0.608 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000008337235 591187907 /nfs/dbraw/zinc/18/79/07/591187907.db2.gz YLKSHDZTVGGUTN-UHFFFAOYSA-N 1 1 338.393 0.514 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000931408204 611538385 /nfs/dbraw/zinc/53/83/85/611538385.db2.gz ZDEFSXKBQLNZEJ-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000931408204 611538387 /nfs/dbraw/zinc/53/83/87/611538387.db2.gz ZDEFSXKBQLNZEJ-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[NH+]1CCC(C(=O)N2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC000947275139 608709852 /nfs/dbraw/zinc/70/98/52/608709852.db2.gz KTHVMHHRQWXSLR-ZIAGYGMSSA-N 1 1 338.408 0.101 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934262609 608804970 /nfs/dbraw/zinc/80/49/70/608804970.db2.gz LHSQOXKXBVKODK-GJZGRUSLSA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934262609 608804972 /nfs/dbraw/zinc/80/49/72/608804972.db2.gz LHSQOXKXBVKODK-GJZGRUSLSA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934262609 608804974 /nfs/dbraw/zinc/80/49/74/608804974.db2.gz LHSQOXKXBVKODK-GJZGRUSLSA-N 1 1 336.392 0.288 20 5 ECBDMO CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997770141 743800186 /nfs/dbraw/zinc/80/01/86/743800186.db2.gz SLIFQKWTMFRUDC-ZIAGYGMSSA-N 1 1 335.408 0.896 20 5 ECBDMO Cc1cc(C)n(CC[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001001398931 746340614 /nfs/dbraw/zinc/34/06/14/746340614.db2.gz GMDFTSKSADRGGT-HZPDHXFCSA-N 1 1 349.435 0.993 20 5 ECBDMO Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001002788031 747786175 /nfs/dbraw/zinc/78/61/75/747786175.db2.gz LQIOSGVNQWLZCQ-HUUCEWRRSA-N 1 1 335.408 0.746 20 5 ECBDMO CCn1ccc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985426864 747978987 /nfs/dbraw/zinc/97/89/87/747978987.db2.gz UYVZVMMVUUXRRW-HUUCEWRRSA-N 1 1 335.408 0.991 20 5 ECBDMO CN(Cc1ncnn1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964318 750112723 /nfs/dbraw/zinc/11/27/23/750112723.db2.gz FQQKCZBOAXGCKW-CHWSQXEVSA-N 1 1 336.396 0.151 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001059769236 750510222 /nfs/dbraw/zinc/51/02/22/750510222.db2.gz HHWJJAQFEVYEQR-PHIMTYICSA-N 1 1 346.347 0.960 20 5 ECBDMO O=C(Cn1cncn1)N1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989619302 754196323 /nfs/dbraw/zinc/19/63/23/754196323.db2.gz FFFREUGAKGLNMP-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(Cn1cncn1)N1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000989619302 754196328 /nfs/dbraw/zinc/19/63/28/754196328.db2.gz FFFREUGAKGLNMP-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC001126943348 756908922 /nfs/dbraw/zinc/90/89/22/756908922.db2.gz NIPGMTKKRFEIGN-VXGBXAGGSA-N 1 1 340.767 0.650 20 5 ECBDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001011115767 756954901 /nfs/dbraw/zinc/95/49/01/756954901.db2.gz UOHFVDZOICIIEI-CHWSQXEVSA-N 1 1 338.408 0.054 20 5 ECBDMO CC1(C)CC[N@H+](CC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001011115767 756954905 /nfs/dbraw/zinc/95/49/05/756954905.db2.gz UOHFVDZOICIIEI-CHWSQXEVSA-N 1 1 338.408 0.054 20 5 ECBDMO CC1(C)CC[N@@H+](CC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)C1 ZINC001011115767 756954910 /nfs/dbraw/zinc/95/49/10/756954910.db2.gz UOHFVDZOICIIEI-CHWSQXEVSA-N 1 1 338.408 0.054 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(F)cn3)C[C@@H]2C1 ZINC001048814571 757083418 /nfs/dbraw/zinc/08/34/18/757083418.db2.gz STZBTFQMQOPLSJ-BAESOJJISA-N 1 1 334.351 0.776 20 5 ECBDMO CN(C)C(=O)c1cccc(C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001126948529 757120949 /nfs/dbraw/zinc/12/09/49/757120949.db2.gz BTVULHAYPDJSGR-ZIAGYGMSSA-N 1 1 334.376 0.259 20 5 ECBDMO COc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C)n1 ZINC001022063722 758226929 /nfs/dbraw/zinc/22/69/29/758226929.db2.gz JADVJNIMZALNOC-YVECIDJPSA-N 1 1 335.364 0.196 20 5 ECBDMO Cc1csc(=O)n1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064134 758228192 /nfs/dbraw/zinc/22/81/92/758228192.db2.gz XNHAXCAMRSUWQT-WRWGMCAJSA-N 1 1 340.405 0.120 20 5 ECBDMO O=C(NCC1C[NH+](CCCC2CCOCC2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001031663119 766382557 /nfs/dbraw/zinc/38/25/57/766382557.db2.gz VDXKGKAWTXOBTH-HUUCEWRRSA-N 1 1 325.409 0.906 20 5 ECBDMO CC(C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574983 769159511 /nfs/dbraw/zinc/15/95/11/769159511.db2.gz GZFYWEQPEXIDRJ-CHWSQXEVSA-N 1 1 326.397 0.004 20 5 ECBDMO CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073015681 789276888 /nfs/dbraw/zinc/27/68/88/789276888.db2.gz OFPVDWBXQVRYIM-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[N@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073015681 789276896 /nfs/dbraw/zinc/27/68/96/789276896.db2.gz OFPVDWBXQVRYIM-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[N@@H+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073015681 789276905 /nfs/dbraw/zinc/27/69/05/789276905.db2.gz OFPVDWBXQVRYIM-CHWSQXEVSA-N 1 1 340.424 0.491 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131553845 529384601 /nfs/dbraw/zinc/38/46/01/529384601.db2.gz BXOLCGPJPPTJBR-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650247 529787148 /nfs/dbraw/zinc/78/71/48/529787148.db2.gz YEDPKDVDMZYFSL-HNNXBMFYSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650247 529787149 /nfs/dbraw/zinc/78/71/49/529787149.db2.gz YEDPKDVDMZYFSL-HNNXBMFYSA-N 1 1 334.376 0.574 20 5 ECBDMO NC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000411968078 208181708 /nfs/dbraw/zinc/18/17/08/208181708.db2.gz FKNYQBIMSMKALL-UONOGXRCSA-N 1 1 329.360 0.992 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412091911 208202729 /nfs/dbraw/zinc/20/27/29/208202729.db2.gz MRPBYBJBJFSIBI-AWEZNQCLSA-N 1 1 341.412 0.195 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1CCOC ZINC000117299362 221048804 /nfs/dbraw/zinc/04/88/04/221048804.db2.gz VHTSDSBDHGXZKN-LBPRGKRZSA-N 1 1 339.396 0.820 20 5 ECBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1CCOC ZINC000117299362 221048806 /nfs/dbraw/zinc/04/88/06/221048806.db2.gz VHTSDSBDHGXZKN-LBPRGKRZSA-N 1 1 339.396 0.820 20 5 ECBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000119553991 221346591 /nfs/dbraw/zinc/34/65/91/221346591.db2.gz ZZNLOIJLNVVBMF-OCCSQVGLSA-N 1 1 344.375 0.823 20 5 ECBDMO O=C(CN1CC[NH+](CCO)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000119629100 221362062 /nfs/dbraw/zinc/36/20/62/221362062.db2.gz WIFGYAWGIOPMRM-UHFFFAOYSA-N 1 1 334.376 0.094 20 5 ECBDMO C[C@@](O)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080894238 296625838 /nfs/dbraw/zinc/62/58/38/296625838.db2.gz YDROSSMWHIAZQB-MRXNPFEDSA-N 1 1 337.376 0.337 20 5 ECBDMO COc1cc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000123920057 296652369 /nfs/dbraw/zinc/65/23/69/296652369.db2.gz PHSFUIUGFWKLMV-NXEZZACHSA-N 1 1 329.378 0.974 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246282981 165128451 /nfs/dbraw/zinc/12/84/51/165128451.db2.gz XBURSQGCORLHSA-WCQYABFASA-N 1 1 325.365 0.648 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269683272 263196941 /nfs/dbraw/zinc/19/69/41/263196941.db2.gz YXVYVTITUMXRES-FZMZJTMJSA-N 1 1 343.405 0.629 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3cc([N+](=O)[O-])cc(S(N)(=O)=O)c3)C[C@H]2C1 ZINC000278705426 263844580 /nfs/dbraw/zinc/84/45/80/263844580.db2.gz ITXMTDDFMRHJQR-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353967 264037059 /nfs/dbraw/zinc/03/70/59/264037059.db2.gz CRCJFCMRCJZZTL-ZRJCITRHSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353967 264037060 /nfs/dbraw/zinc/03/70/60/264037060.db2.gz CRCJFCMRCJZZTL-ZRJCITRHSA-N 1 1 338.364 0.975 20 5 ECBDMO CN(CC[NH+](C)C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000283088606 264082235 /nfs/dbraw/zinc/08/22/35/264082235.db2.gz FGNVHCJPOCITTF-UHFFFAOYSA-N 1 1 329.378 0.632 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@@H+]1CCOC ZINC000285950550 264354221 /nfs/dbraw/zinc/35/42/21/264354221.db2.gz ZJDIKKVMIRVDJD-NSHDSACASA-N 1 1 325.369 0.891 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1CCOC ZINC000285950550 264354223 /nfs/dbraw/zinc/35/42/23/264354223.db2.gz ZJDIKKVMIRVDJD-NSHDSACASA-N 1 1 325.369 0.891 20 5 ECBDMO COC(=O)Cc1ccc(NC[C@H]2C[N@@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000297271695 265136283 /nfs/dbraw/zinc/13/62/83/265136283.db2.gz WVYVVFKRWFBCEY-ZDUSSCGKSA-N 1 1 336.392 0.968 20 5 ECBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000354398339 437605491 /nfs/dbraw/zinc/60/54/91/437605491.db2.gz GIBZSODEWFVDGX-LLVKDONJSA-N 1 1 336.396 0.328 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222315 437611330 /nfs/dbraw/zinc/61/13/30/437611330.db2.gz KPKGQKTZDGEPPI-GFCCVEGCSA-N 1 1 336.348 0.752 20 5 ECBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000337448014 297189227 /nfs/dbraw/zinc/18/92/27/297189227.db2.gz MDGJJUKLMSFMAS-NSHDSACASA-N 1 1 341.364 0.871 20 5 ECBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOCCO)c([N+](=O)[O-])c1 ZINC000337448014 297189228 /nfs/dbraw/zinc/18/92/28/297189228.db2.gz MDGJJUKLMSFMAS-NSHDSACASA-N 1 1 341.364 0.871 20 5 ECBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4COC[C@@H]4O)CC3)nc2c1 ZINC000361333417 300083367 /nfs/dbraw/zinc/08/33/67/300083367.db2.gz AEAREVXTEHRDSZ-CABCVRRESA-N 1 1 347.375 0.743 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000361648375 300113145 /nfs/dbraw/zinc/11/31/45/300113145.db2.gz QOIUSRDUCIDEHO-BPLDGKMQSA-N 1 1 340.380 0.422 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000361648376 300113153 /nfs/dbraw/zinc/11/31/53/300113153.db2.gz QOIUSRDUCIDEHO-SNPRPXQTSA-N 1 1 340.380 0.422 20 5 ECBDMO COC(=O)C[C@@]1([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000362270261 300178701 /nfs/dbraw/zinc/17/87/01/300178701.db2.gz NKADGEBLWLNWPW-HNNXBMFYSA-N 1 1 337.332 0.845 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362995486 300239866 /nfs/dbraw/zinc/23/98/66/300239866.db2.gz XYXMEUSCBNLSGP-CHWSQXEVSA-N 1 1 337.380 0.469 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363876436 300302479 /nfs/dbraw/zinc/30/24/79/300302479.db2.gz QHHFQBGHGVGWKZ-JTQLQIEISA-N 1 1 337.405 0.835 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000364203304 300335226 /nfs/dbraw/zinc/33/52/26/300335226.db2.gz WHXZHBWPHXYNHZ-GFCCVEGCSA-N 1 1 339.396 0.405 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000023888326 436129006 /nfs/dbraw/zinc/12/90/06/436129006.db2.gz CAGXUPUIBPLGDV-UHFFFAOYSA-N 1 1 346.395 0.743 20 5 ECBDMO C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000081417733 436346038 /nfs/dbraw/zinc/34/60/38/436346038.db2.gz RDXVWZLYGAECFY-AAEUAGOBSA-N 1 1 335.364 0.333 20 5 ECBDMO C[N@H+]1CCO[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000081417733 436346042 /nfs/dbraw/zinc/34/60/42/436346042.db2.gz RDXVWZLYGAECFY-AAEUAGOBSA-N 1 1 335.364 0.333 20 5 ECBDMO CC[NH+]1CCN(CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000042595280 436308754 /nfs/dbraw/zinc/30/87/54/436308754.db2.gz BCPPUDYASLBLIN-UHFFFAOYSA-N 1 1 338.412 0.325 20 5 ECBDMO CC[N@H+]1CCCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000531146558 302042425 /nfs/dbraw/zinc/04/24/25/302042425.db2.gz JNZXBPJDWDCDIQ-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000531864952 302064962 /nfs/dbraw/zinc/06/49/62/302064962.db2.gz QKZQKSCMRIZEEU-NXEZZACHSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000531864952 302064965 /nfs/dbraw/zinc/06/49/65/302064965.db2.gz QKZQKSCMRIZEEU-NXEZZACHSA-N 1 1 326.378 0.893 20 5 ECBDMO NS(=O)(=O)c1c(N[C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000548614467 302313275 /nfs/dbraw/zinc/31/32/75/302313275.db2.gz CTLQDYXCTXTDPY-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000151620025 436705698 /nfs/dbraw/zinc/70/56/98/436705698.db2.gz XTFKDXSXYCMEKM-LBPRGKRZSA-N 1 1 336.396 0.380 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067159449 436707155 /nfs/dbraw/zinc/70/71/55/436707155.db2.gz YRTKGUQSFLBTJH-UHFFFAOYSA-N 1 1 339.348 0.674 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272453154 436714193 /nfs/dbraw/zinc/71/41/93/436714193.db2.gz BGCTXVALLJHDTN-ZDUSSCGKSA-N 1 1 336.348 0.370 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272453154 436714196 /nfs/dbraw/zinc/71/41/96/436714196.db2.gz BGCTXVALLJHDTN-ZDUSSCGKSA-N 1 1 336.348 0.370 20 5 ECBDMO O=C1NC[C@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372316 436749317 /nfs/dbraw/zinc/74/93/17/436749317.db2.gz RVXATSWWUFTPMC-NWDGAFQWSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372316 436749321 /nfs/dbraw/zinc/74/93/21/436749321.db2.gz RVXATSWWUFTPMC-NWDGAFQWSA-N 1 1 336.348 0.044 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249584188 436825280 /nfs/dbraw/zinc/82/52/80/436825280.db2.gz SIVLQJHCPUSABC-YRGRVCCFSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C(N)=O)C1 ZINC000249584188 436825282 /nfs/dbraw/zinc/82/52/82/436825282.db2.gz SIVLQJHCPUSABC-YRGRVCCFSA-N 1 1 337.376 0.920 20 5 ECBDMO Cc1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000295424951 436969312 /nfs/dbraw/zinc/96/93/12/436969312.db2.gz VIRQRBIMJAUTQO-UHFFFAOYSA-N 1 1 343.405 0.638 20 5 ECBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1CC(C)(C)O ZINC000275453818 436970325 /nfs/dbraw/zinc/97/03/25/436970325.db2.gz GVBYISDKODHQOF-JTQLQIEISA-N 1 1 337.380 0.370 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882072 436930172 /nfs/dbraw/zinc/93/01/72/436930172.db2.gz DLOUZHBCQFDGOU-WBMJQRKESA-N 1 1 346.343 0.424 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882072 436930173 /nfs/dbraw/zinc/93/01/73/436930173.db2.gz DLOUZHBCQFDGOU-WBMJQRKESA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264487397 437036876 /nfs/dbraw/zinc/03/68/76/437036876.db2.gz IVIJJVFOFDPDPW-ZDUSSCGKSA-N 1 1 338.339 0.804 20 5 ECBDMO C[C@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000276149051 437064209 /nfs/dbraw/zinc/06/42/09/437064209.db2.gz DNLCHJADQBPDPL-RWMBFGLXSA-N 1 1 328.365 0.398 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000264702831 437068477 /nfs/dbraw/zinc/06/84/77/437068477.db2.gz DGNPQMZVTSOSHY-CYBMUJFWSA-N 1 1 336.392 0.726 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000176353906 437139964 /nfs/dbraw/zinc/13/99/64/437139964.db2.gz XBURSQGCORLHSA-YPMHNXCESA-N 1 1 325.365 0.648 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](C)C1 ZINC000322576275 437217401 /nfs/dbraw/zinc/21/74/01/437217401.db2.gz TZZUBZJUCXZVNM-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000322576275 437217405 /nfs/dbraw/zinc/21/74/05/437217405.db2.gz TZZUBZJUCXZVNM-VIFPVBQESA-N 1 1 343.361 0.364 20 5 ECBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000181337099 437317521 /nfs/dbraw/zinc/31/75/21/437317521.db2.gz SZXKANCZUQDMNO-CYBMUJFWSA-N 1 1 333.352 0.088 20 5 ECBDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267106549 437290510 /nfs/dbraw/zinc/29/05/10/437290510.db2.gz WCRCSBFKQLKNAN-LLVKDONJSA-N 1 1 331.398 0.195 20 5 ECBDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267106549 437290513 /nfs/dbraw/zinc/29/05/13/437290513.db2.gz WCRCSBFKQLKNAN-LLVKDONJSA-N 1 1 331.398 0.195 20 5 ECBDMO CCOc1ccc(NC(=O)C[N@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289656044 437430414 /nfs/dbraw/zinc/43/04/14/437430414.db2.gz FBRTYKSNJWIEAH-LLVKDONJSA-N 1 1 341.364 0.607 20 5 ECBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289656044 437430418 /nfs/dbraw/zinc/43/04/18/437430418.db2.gz FBRTYKSNJWIEAH-LLVKDONJSA-N 1 1 341.364 0.607 20 5 ECBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289221186 437390293 /nfs/dbraw/zinc/39/02/93/437390293.db2.gz LEOJDRKUVSJDOY-LBPRGKRZSA-N 1 1 344.375 0.591 20 5 ECBDMO COCCC[N@@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269043038 437448436 /nfs/dbraw/zinc/44/84/36/437448436.db2.gz NHONFBAQUAIPBZ-UHFFFAOYSA-N 1 1 328.373 0.059 20 5 ECBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[N@H+]1CCO ZINC000187657738 437507834 /nfs/dbraw/zinc/50/78/34/437507834.db2.gz VFWGCYQDJWPREX-LBPRGKRZSA-N 1 1 337.376 0.960 20 5 ECBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@H+]1C1CCN(C)CC1 ZINC000343711075 437634900 /nfs/dbraw/zinc/63/49/00/437634900.db2.gz MCLZNTLWLROXJZ-CQSZACIVSA-N 1 1 336.440 0.892 20 5 ECBDMO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCN1C1CC[NH+](C)CC1 ZINC000343711075 437634906 /nfs/dbraw/zinc/63/49/06/437634906.db2.gz MCLZNTLWLROXJZ-CQSZACIVSA-N 1 1 336.440 0.892 20 5 ECBDMO CC(C)N1C(=O)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000330931468 437651520 /nfs/dbraw/zinc/65/15/20/437651520.db2.gz UHDCTQOPJAWBBN-CYBMUJFWSA-N 1 1 339.396 0.483 20 5 ECBDMO CC(C)N1C(=O)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000330931468 437651526 /nfs/dbraw/zinc/65/15/26/437651526.db2.gz UHDCTQOPJAWBBN-CYBMUJFWSA-N 1 1 339.396 0.483 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000343779145 437656441 /nfs/dbraw/zinc/65/64/41/437656441.db2.gz JCATXEOSNLDWLP-JTQLQIEISA-N 1 1 336.348 0.898 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191861446 437656649 /nfs/dbraw/zinc/65/66/49/437656649.db2.gz BPYCPYQBFSXADM-LLVKDONJSA-N 1 1 325.369 0.340 20 5 ECBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292284991 437676510 /nfs/dbraw/zinc/67/65/10/437676510.db2.gz TWIWTQSQOPWXDI-KGLIPLIRSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292284991 437676514 /nfs/dbraw/zinc/67/65/14/437676514.db2.gz TWIWTQSQOPWXDI-KGLIPLIRSA-N 1 1 343.405 0.594 20 5 ECBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362606328 437746194 /nfs/dbraw/zinc/74/61/94/437746194.db2.gz NHXJMUSGHDJXMM-CMPLNLGQSA-N 1 1 327.385 0.387 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415607910 437831261 /nfs/dbraw/zinc/83/12/61/437831261.db2.gz KTJBCJQMYAZMPU-UHFFFAOYSA-N 1 1 336.682 0.897 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)C1CCC1 ZINC000371282801 437910163 /nfs/dbraw/zinc/91/01/63/437910163.db2.gz CQGMSPBUPUEDFP-ZDUSSCGKSA-N 1 1 334.376 0.747 20 5 ECBDMO O=C(N[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)C1CCC1 ZINC000371282801 437910169 /nfs/dbraw/zinc/91/01/69/437910169.db2.gz CQGMSPBUPUEDFP-ZDUSSCGKSA-N 1 1 334.376 0.747 20 5 ECBDMO NC(=O)c1ccnc(N2CCN(c3ccc(N)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000357231262 437939961 /nfs/dbraw/zinc/93/99/61/437939961.db2.gz YVRFYTRFCNMMOM-UHFFFAOYSA-N 1 1 343.347 0.393 20 5 ECBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578966 437960617 /nfs/dbraw/zinc/96/06/17/437960617.db2.gz HCPUFSGLUUFQJB-NWDGAFQWSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000371578966 437960619 /nfs/dbraw/zinc/96/06/19/437960619.db2.gz HCPUFSGLUUFQJB-NWDGAFQWSA-N 1 1 335.364 0.787 20 5 ECBDMO O=C([C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCSCC1 ZINC000365848304 437979140 /nfs/dbraw/zinc/97/91/40/437979140.db2.gz ZCYLVOBYPLIMOB-GFCCVEGCSA-N 1 1 339.421 0.831 20 5 ECBDMO O=C([C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)N1CCSCC1 ZINC000365848304 437979143 /nfs/dbraw/zinc/97/91/43/437979143.db2.gz ZCYLVOBYPLIMOB-GFCCVEGCSA-N 1 1 339.421 0.831 20 5 ECBDMO CS[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000342543607 438029558 /nfs/dbraw/zinc/02/95/58/438029558.db2.gz KFRCZRPKRIZKJQ-YNEHKIRRSA-N 1 1 329.426 0.130 20 5 ECBDMO CS[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1N(C)C ZINC000342543607 438029561 /nfs/dbraw/zinc/02/95/61/438029561.db2.gz KFRCZRPKRIZKJQ-YNEHKIRRSA-N 1 1 329.426 0.130 20 5 ECBDMO CC(C)OC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166595 438043182 /nfs/dbraw/zinc/04/31/82/438043182.db2.gz JEWSLLPOQVTIIZ-KGLIPLIRSA-N 1 1 328.369 0.278 20 5 ECBDMO CC(C)OC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166595 438043184 /nfs/dbraw/zinc/04/31/84/438043184.db2.gz JEWSLLPOQVTIIZ-KGLIPLIRSA-N 1 1 328.369 0.278 20 5 ECBDMO C[N@@H+](Cc1cn2c(n1)CCCC2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000373004973 438123806 /nfs/dbraw/zinc/12/38/06/438123806.db2.gz OUKIPOBTYDUILK-AWEZNQCLSA-N 1 1 334.380 0.817 20 5 ECBDMO C[N@H+](Cc1cn2c(n1)CCCC2)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000373004973 438123809 /nfs/dbraw/zinc/12/38/09/438123809.db2.gz OUKIPOBTYDUILK-AWEZNQCLSA-N 1 1 334.380 0.817 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358202231 438179877 /nfs/dbraw/zinc/17/98/77/438179877.db2.gz RDHACWDHYSODSR-LBPRGKRZSA-N 1 1 349.796 0.593 20 5 ECBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358219265 438183930 /nfs/dbraw/zinc/18/39/30/438183930.db2.gz XXOIBYIQCKBXHB-AWEZNQCLSA-N 1 1 343.405 0.502 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358216971 438184873 /nfs/dbraw/zinc/18/48/73/438184873.db2.gz UWMLJAVSFYBSKR-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000367270840 438190956 /nfs/dbraw/zinc/19/09/56/438190956.db2.gz MKLOSYVDWJXSSF-SNVBAGLBSA-N 1 1 340.355 0.845 20 5 ECBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+]2CCN1CCC2 ZINC000367149707 438173560 /nfs/dbraw/zinc/17/35/60/438173560.db2.gz XLMSVFSLVPYBBQ-OAHLLOKOSA-N 1 1 333.392 0.513 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368053994 438281350 /nfs/dbraw/zinc/28/13/50/438281350.db2.gz JHVODNSXTHBOSY-GYSYKLTISA-N 1 1 332.360 0.990 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368053994 438281356 /nfs/dbraw/zinc/28/13/56/438281356.db2.gz JHVODNSXTHBOSY-GYSYKLTISA-N 1 1 332.360 0.990 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368057673 438281439 /nfs/dbraw/zinc/28/14/39/438281439.db2.gz VHKSPGLIXCWCMG-ZYHUDNBSSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368057673 438281444 /nfs/dbraw/zinc/28/14/44/438281444.db2.gz VHKSPGLIXCWCMG-ZYHUDNBSSA-N 1 1 348.359 0.610 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368059137 438282341 /nfs/dbraw/zinc/28/23/41/438282341.db2.gz XUBDWBJQBHDFQT-YPMHNXCESA-N 1 1 332.360 0.910 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368059137 438282343 /nfs/dbraw/zinc/28/23/43/438282343.db2.gz XUBDWBJQBHDFQT-YPMHNXCESA-N 1 1 332.360 0.910 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]12 ZINC000368073460 438284715 /nfs/dbraw/zinc/28/47/15/438284715.db2.gz ZYAWYDNVDXHFGH-FRRDWIJNSA-N 1 1 335.360 0.402 20 5 ECBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351642912 438309745 /nfs/dbraw/zinc/30/97/45/438309745.db2.gz HDTLKGSIIMKZRT-RFAUZJTJSA-N 1 1 347.331 0.628 20 5 ECBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000351642912 438309751 /nfs/dbraw/zinc/30/97/51/438309751.db2.gz HDTLKGSIIMKZRT-RFAUZJTJSA-N 1 1 347.331 0.628 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000352022996 438371420 /nfs/dbraw/zinc/37/14/20/438371420.db2.gz STFKPOYODNKEKV-RYUDHWBXSA-N 1 1 337.332 0.320 20 5 ECBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000435807824 438387064 /nfs/dbraw/zinc/38/70/64/438387064.db2.gz JZDJRRJBIUPHLR-SNVBAGLBSA-N 1 1 333.414 0.820 20 5 ECBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251962 438443463 /nfs/dbraw/zinc/44/34/63/438443463.db2.gz DGAOZSLXZYJSMM-LLVKDONJSA-N 1 1 349.391 0.594 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420630613 438415198 /nfs/dbraw/zinc/41/51/98/438415198.db2.gz FCFTWLHDFZQKSW-NSHDSACASA-N 1 1 328.394 0.773 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369379699 438462563 /nfs/dbraw/zinc/46/25/63/438462563.db2.gz NYZSYUSGBOYTDM-TZMCWYRMSA-N 1 1 335.368 0.298 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2Cn2ccnn2)c1 ZINC000369379696 438462578 /nfs/dbraw/zinc/46/25/78/438462578.db2.gz NYZSYUSGBOYTDM-GXTWGEPZSA-N 1 1 335.368 0.298 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408108008 438513189 /nfs/dbraw/zinc/51/31/89/438513189.db2.gz QMIDJOAYOOTCEO-JTQLQIEISA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000408108008 438513191 /nfs/dbraw/zinc/51/31/91/438513191.db2.gz QMIDJOAYOOTCEO-JTQLQIEISA-N 1 1 337.380 0.952 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000408450581 438575429 /nfs/dbraw/zinc/57/54/29/438575429.db2.gz FVUXJGAIEZQQIJ-YPMHNXCESA-N 1 1 334.380 0.662 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767852 438752400 /nfs/dbraw/zinc/75/24/00/438752400.db2.gz VRSSZNBJBATEOF-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000455767852 438752402 /nfs/dbraw/zinc/75/24/02/438752402.db2.gz VRSSZNBJBATEOF-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 ECBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595823039 438866848 /nfs/dbraw/zinc/86/68/48/438866848.db2.gz DPSSSIWIXNXWNX-CYBMUJFWSA-N 1 1 349.391 0.881 20 5 ECBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595823039 438866852 /nfs/dbraw/zinc/86/68/52/438866852.db2.gz DPSSSIWIXNXWNX-CYBMUJFWSA-N 1 1 349.391 0.881 20 5 ECBDMO CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595823040 438868021 /nfs/dbraw/zinc/86/80/21/438868021.db2.gz DPSSSIWIXNXWNX-ZDUSSCGKSA-N 1 1 349.391 0.881 20 5 ECBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595823040 438868022 /nfs/dbraw/zinc/86/80/22/438868022.db2.gz DPSSSIWIXNXWNX-ZDUSSCGKSA-N 1 1 349.391 0.881 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589928003 438892323 /nfs/dbraw/zinc/89/23/23/438892323.db2.gz CGILVUCAKHETLF-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000589928947 438893519 /nfs/dbraw/zinc/89/35/19/438893519.db2.gz IAALWVZKOPTMLS-ZWNOBZJWSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000590354943 438911358 /nfs/dbraw/zinc/91/13/58/438911358.db2.gz DXPCORMZUXVGRA-ZDUSSCGKSA-N 1 1 334.376 0.723 20 5 ECBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000590402418 438919276 /nfs/dbraw/zinc/91/92/76/438919276.db2.gz TUAKHAIBMJYVSS-UONOGXRCSA-N 1 1 337.380 0.503 20 5 ECBDMO CN(CC(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551473 438931548 /nfs/dbraw/zinc/93/15/48/438931548.db2.gz YIHTVXOYNDWSAZ-KBPBESRZSA-N 1 1 348.403 0.699 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)C(F)(F)F)cc1 ZINC000578524326 438931595 /nfs/dbraw/zinc/93/15/95/438931595.db2.gz VZYJEBOHZQOKPU-JTQLQIEISA-N 1 1 342.295 0.881 20 5 ECBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000590556155 438933029 /nfs/dbraw/zinc/93/30/29/438933029.db2.gz YHDWVGJWXQEHHK-LBPRGKRZSA-N 1 1 337.380 0.503 20 5 ECBDMO Nc1c(C(=O)N2CC(C[NH+]3CCOCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000590558041 438933301 /nfs/dbraw/zinc/93/33/01/438933301.db2.gz LUZXQISILATPIO-UHFFFAOYSA-N 1 1 338.339 0.720 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000596263635 438949593 /nfs/dbraw/zinc/94/95/93/438949593.db2.gz LORHYTGJICARFN-SKDRFNHKSA-N 1 1 326.378 0.383 20 5 ECBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596360412 438958725 /nfs/dbraw/zinc/95/87/25/438958725.db2.gz GXCZLJWDWILJMP-NSHDSACASA-N 1 1 338.412 0.773 20 5 ECBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000596360412 438958729 /nfs/dbraw/zinc/95/87/29/438958729.db2.gz GXCZLJWDWILJMP-NSHDSACASA-N 1 1 338.412 0.773 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000590808401 438959135 /nfs/dbraw/zinc/95/91/35/438959135.db2.gz SSPCYMMHQDSERA-ZDUSSCGKSA-N 1 1 348.407 0.916 20 5 ECBDMO O=[N+]([O-])c1cnc2ccc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)nn21 ZINC000596540578 438974126 /nfs/dbraw/zinc/97/41/26/438974126.db2.gz VACFZPJWHZUGHO-GFCCVEGCSA-N 1 1 332.364 0.673 20 5 ECBDMO NC(=O)c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000591748064 439080439 /nfs/dbraw/zinc/08/04/39/439080439.db2.gz RFEMQGPELUGXOD-NSHDSACASA-N 1 1 335.316 0.816 20 5 ECBDMO COc1cc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597624793 439141619 /nfs/dbraw/zinc/14/16/19/439141619.db2.gz KZUXCXLJWDAXAI-CYBMUJFWSA-N 1 1 334.376 0.723 20 5 ECBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000597679727 439157721 /nfs/dbraw/zinc/15/77/21/439157721.db2.gz SGCJTEROCWORDJ-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000592368922 439211684 /nfs/dbraw/zinc/21/16/84/439211684.db2.gz QYHANJDHBHYDIG-AOOOYVTPSA-N 1 1 329.378 0.974 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000598367069 439256486 /nfs/dbraw/zinc/25/64/86/439256486.db2.gz KELMMPBIFAHRMY-CHWSQXEVSA-N 1 1 349.391 0.702 20 5 ECBDMO O=C(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N1CCNCC1 ZINC000581878607 439258709 /nfs/dbraw/zinc/25/87/09/439258709.db2.gz SINDLFOWYHRZDJ-CHWSQXEVSA-N 1 1 336.396 0.296 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c1 ZINC000593024400 439330691 /nfs/dbraw/zinc/33/06/91/439330691.db2.gz IHIXZEXDEOSWBN-WDEREUQCSA-N 1 1 326.349 0.945 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c1 ZINC000593024400 439330694 /nfs/dbraw/zinc/33/06/94/439330694.db2.gz IHIXZEXDEOSWBN-WDEREUQCSA-N 1 1 326.349 0.945 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000592898645 439300037 /nfs/dbraw/zinc/30/00/37/439300037.db2.gz LGBNMXPTWVQEQK-UHFFFAOYSA-N 1 1 337.380 0.817 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278100 439305534 /nfs/dbraw/zinc/30/55/34/439305534.db2.gz DWKSSNBIXSLHPV-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000604278100 439305536 /nfs/dbraw/zinc/30/55/36/439305536.db2.gz DWKSSNBIXSLHPV-SNVBAGLBSA-N 1 1 329.378 0.976 20 5 ECBDMO C[C@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599086672 439352603 /nfs/dbraw/zinc/35/26/03/439352603.db2.gz RURWOOXYPQFJGK-JTQLQIEISA-N 1 1 328.394 0.736 20 5 ECBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000599244983 439397710 /nfs/dbraw/zinc/39/77/10/439397710.db2.gz OUXZDVAZBRIHNS-MNOVXSKESA-N 1 1 345.425 0.679 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593546468 439400897 /nfs/dbraw/zinc/40/08/97/439400897.db2.gz LQQGARSYFKYJQO-NSHDSACASA-N 1 1 328.394 0.952 20 5 ECBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000593560467 439406002 /nfs/dbraw/zinc/40/60/02/439406002.db2.gz OUVXKIWWTMGHRX-UWVGGRQHSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000593560467 439406010 /nfs/dbraw/zinc/40/60/10/439406010.db2.gz OUVXKIWWTMGHRX-UWVGGRQHSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000593625784 439424686 /nfs/dbraw/zinc/42/46/86/439424686.db2.gz QANCPHSAQGGBDB-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000593625784 439424689 /nfs/dbraw/zinc/42/46/89/439424689.db2.gz QANCPHSAQGGBDB-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599337072 439440192 /nfs/dbraw/zinc/44/01/92/439440192.db2.gz VVXBXBFFRVZQMG-UHFFFAOYSA-N 1 1 333.414 0.585 20 5 ECBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599343031 439442005 /nfs/dbraw/zinc/44/20/05/439442005.db2.gz LXEKGSKAUGNCFY-UHFFFAOYSA-N 1 1 331.398 0.435 20 5 ECBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026648 439508560 /nfs/dbraw/zinc/50/85/60/439508560.db2.gz GKCOVFFLMNZURT-TUKIKUTGSA-N 1 1 334.376 0.673 20 5 ECBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594385095 439552521 /nfs/dbraw/zinc/55/25/21/439552521.db2.gz CHEZCINMTBRCSJ-WDEREUQCSA-N 1 1 341.314 0.693 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594420431 439558641 /nfs/dbraw/zinc/55/86/41/439558641.db2.gz TVCMXVXUYQDXMZ-QWHCGFSZSA-N 1 1 334.376 0.890 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000609269818 439561844 /nfs/dbraw/zinc/56/18/44/439561844.db2.gz XKIIYENJEPONSD-NSHDSACASA-N 1 1 325.369 0.477 20 5 ECBDMO COc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000599941812 439580140 /nfs/dbraw/zinc/58/01/40/439580140.db2.gz YUZNBKIAMXJMEJ-RYUDHWBXSA-N 1 1 335.360 0.885 20 5 ECBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000594718213 439595985 /nfs/dbraw/zinc/59/59/85/439595985.db2.gz SVLVQVBEAWYPRS-HNNXBMFYSA-N 1 1 337.424 0.813 20 5 ECBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600100732 439614541 /nfs/dbraw/zinc/61/45/41/439614541.db2.gz TWPGCBOGRARLKN-LBPRGKRZSA-N 1 1 336.348 0.025 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c([N+](=O)[O-])n1 ZINC000610939673 439659347 /nfs/dbraw/zinc/65/93/47/439659347.db2.gz IBSVQPKKTNJLLY-LLVKDONJSA-N 1 1 343.409 0.574 20 5 ECBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611597558 439710585 /nfs/dbraw/zinc/71/05/85/439710585.db2.gz SWCMCMYGKCZRBL-GFCCVEGCSA-N 1 1 335.364 0.740 20 5 ECBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600535572 439674971 /nfs/dbraw/zinc/67/49/71/439674971.db2.gz PWAXRLBJILGVOW-CYBMUJFWSA-N 1 1 332.360 0.801 20 5 ECBDMO NC(=O)c1ccc(SCC(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC000337599324 320952344 /nfs/dbraw/zinc/95/23/44/320952344.db2.gz QSOOWWIUUSBGKM-UHFFFAOYSA-N 1 1 338.389 0.608 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344274653 321146312 /nfs/dbraw/zinc/14/63/12/321146312.db2.gz YAJVZXBILXMGCJ-ZDUSSCGKSA-N 1 1 338.339 0.804 20 5 ECBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H]1COC[C@H]1O ZINC000352799831 321372939 /nfs/dbraw/zinc/37/29/39/321372939.db2.gz MYPRFESLRQIYEH-CHWSQXEVSA-N 1 1 337.332 0.584 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352801786 321373472 /nfs/dbraw/zinc/37/34/72/321373472.db2.gz KMNBAKNUZUYWCI-STQMWFEESA-N 1 1 339.348 0.624 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000575192497 322792671 /nfs/dbraw/zinc/79/26/71/322792671.db2.gz DHYLPVNGBPXMJA-CYBMUJFWSA-N 1 1 346.387 0.879 20 5 ECBDMO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1CCO ZINC000187681496 534477995 /nfs/dbraw/zinc/47/79/95/534477995.db2.gz OVBFXQBGJHEKQD-CZUORRHYSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1CCO ZINC000187681496 534477997 /nfs/dbraw/zinc/47/79/97/534477997.db2.gz OVBFXQBGJHEKQD-CZUORRHYSA-N 1 1 348.403 0.699 20 5 ECBDMO CCC[N@H+](CC(=O)NC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181567340 527890259 /nfs/dbraw/zinc/89/02/59/527890259.db2.gz NSLJUXPELMQUSP-LBPRGKRZSA-N 1 1 325.365 0.793 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000153689297 528400063 /nfs/dbraw/zinc/40/00/63/528400063.db2.gz MTFJHYDMFVYWFU-NSHDSACASA-N 1 1 325.369 0.891 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000153689297 528400066 /nfs/dbraw/zinc/40/00/66/528400066.db2.gz MTFJHYDMFVYWFU-NSHDSACASA-N 1 1 325.369 0.891 20 5 ECBDMO COCCC[N@@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000266178436 536500830 /nfs/dbraw/zinc/50/08/30/536500830.db2.gz WVPAVBMWWSBZNL-UHFFFAOYSA-N 1 1 327.385 0.574 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000773530404 579228862 /nfs/dbraw/zinc/22/88/62/579228862.db2.gz LFBZWRBKYYBDQG-CQSZACIVSA-N 1 1 349.347 0.623 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581800 579284664 /nfs/dbraw/zinc/28/46/64/579284664.db2.gz MBUSFOYTGQUQIS-OCCSQVGLSA-N 1 1 343.405 0.642 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581800 579284665 /nfs/dbraw/zinc/28/46/65/579284665.db2.gz MBUSFOYTGQUQIS-OCCSQVGLSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597532 579285751 /nfs/dbraw/zinc/28/57/51/579285751.db2.gz ICXFNQPWHIKQSD-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776597532 579285752 /nfs/dbraw/zinc/28/57/52/579285752.db2.gz ICXFNQPWHIKQSD-KBPBESRZSA-N 1 1 343.405 0.642 20 5 ECBDMO CNc1nccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000888983576 586249770 /nfs/dbraw/zinc/24/97/70/586249770.db2.gz IFPOAYNQZLKUNQ-UHFFFAOYSA-N 1 1 336.396 0.351 20 5 ECBDMO CNc1nccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000888983576 586249772 /nfs/dbraw/zinc/24/97/72/586249772.db2.gz IFPOAYNQZLKUNQ-UHFFFAOYSA-N 1 1 336.396 0.351 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896545515 586251128 /nfs/dbraw/zinc/25/11/28/586251128.db2.gz QOAUWOKTQQOOAC-BXUZGUMPSA-N 1 1 336.392 0.968 20 5 ECBDMO COc1cc(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567067 586256773 /nfs/dbraw/zinc/25/67/73/586256773.db2.gz YVPURGRNZJBBEA-SMDDNHRTSA-N 1 1 336.392 0.968 20 5 ECBDMO O=C(CC[N@@H+]1CCC[C@](O)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839147827 586838200 /nfs/dbraw/zinc/83/82/00/586838200.db2.gz SBORZAHIKARPFK-OAHLLOKOSA-N 1 1 341.339 0.882 20 5 ECBDMO COC(=O)[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000839630836 586884940 /nfs/dbraw/zinc/88/49/40/586884940.db2.gz POOFWDJFLYKQKO-DZGCQCFKSA-N 1 1 337.376 0.665 20 5 ECBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707594 586889615 /nfs/dbraw/zinc/88/96/15/586889615.db2.gz DCAHYTBSCAHHEE-XUWVNRHRSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839707594 586889618 /nfs/dbraw/zinc/88/96/18/586889618.db2.gz DCAHYTBSCAHHEE-XUWVNRHRSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[C@@H]1CC1[N+](=O)[O-] ZINC000839707594 586889619 /nfs/dbraw/zinc/88/96/19/586889619.db2.gz DCAHYTBSCAHHEE-XUWVNRHRSA-N 1 1 333.388 0.651 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000816952328 587330118 /nfs/dbraw/zinc/33/01/18/587330118.db2.gz IDCWGUTZZFDTMQ-JSGCOSHPSA-N 1 1 333.344 0.949 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000823639879 587735848 /nfs/dbraw/zinc/73/58/48/587735848.db2.gz KEXDXYFLPSIBHQ-LBPRGKRZSA-N 1 1 345.363 0.686 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000825745964 587958519 /nfs/dbraw/zinc/95/85/19/587958519.db2.gz AIXOABBOVBKJPV-OWCLPIDISA-N 1 1 349.387 0.686 20 5 ECBDMO O=C(NCC[NH+]1CCSCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825868484 587967792 /nfs/dbraw/zinc/96/77/92/587967792.db2.gz DWJXNLILPLWROC-CYBMUJFWSA-N 1 1 325.390 0.793 20 5 ECBDMO Cn1nccc1C([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccnn1C ZINC000860079022 589742382 /nfs/dbraw/zinc/74/23/82/589742382.db2.gz YYNUUDOYDDVSDN-UHFFFAOYSA-N 1 1 330.352 0.638 20 5 ECBDMO O=C1OC[C@H]2C[N@@H+](CN3CC[C@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]12 ZINC000863338973 590005899 /nfs/dbraw/zinc/00/58/99/590005899.db2.gz XUXULAFKFKQWIF-BPLDGKMQSA-N 1 1 345.355 0.973 20 5 ECBDMO O=C1OC[C@H]2C[N@H+](CN3CC[C@H](c4ccc([N+](=O)[O-])cc4)C3=O)C[C@@H]12 ZINC000863338973 590005901 /nfs/dbraw/zinc/00/59/01/590005901.db2.gz XUXULAFKFKQWIF-BPLDGKMQSA-N 1 1 345.355 0.973 20 5 ECBDMO C[NH+]1CCN(C(=O)CNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865505132 590147892 /nfs/dbraw/zinc/14/78/92/590147892.db2.gz LGTXJHWMEIAGHZ-UHFFFAOYSA-N 1 1 326.328 0.412 20 5 ECBDMO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131546806 590613126 /nfs/dbraw/zinc/61/31/26/590613126.db2.gz IFUCBNJTHHKPJH-LBPRGKRZSA-N 1 1 348.425 0.297 20 5 ECBDMO O=C([C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000886827814 590886688 /nfs/dbraw/zinc/88/66/88/590886688.db2.gz SAQNZVINLCQFOB-AWEZNQCLSA-N 1 1 333.392 0.634 20 5 ECBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233376 611526354 /nfs/dbraw/zinc/52/63/54/611526354.db2.gz BAYRGMORTQXRIS-DIBLEFCOSA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233376 611526355 /nfs/dbraw/zinc/52/63/55/611526355.db2.gz BAYRGMORTQXRIS-DIBLEFCOSA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233376 611526356 /nfs/dbraw/zinc/52/63/56/611526356.db2.gz BAYRGMORTQXRIS-DIBLEFCOSA-N 1 1 325.409 0.638 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000932724267 611660168 /nfs/dbraw/zinc/66/01/68/611660168.db2.gz CFGKPLSVYAHJCA-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000932724267 611660170 /nfs/dbraw/zinc/66/01/70/611660170.db2.gz CFGKPLSVYAHJCA-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000932724267 611660172 /nfs/dbraw/zinc/66/01/72/611660172.db2.gz CFGKPLSVYAHJCA-UHFFFAOYSA-N 1 1 338.412 0.244 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000172199874 609769650 /nfs/dbraw/zinc/76/96/50/609769650.db2.gz NFWIKRPRHPMOAN-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ncn1 ZINC000940107945 610210572 /nfs/dbraw/zinc/21/05/72/610210572.db2.gz SEANXPJJZXFRBV-ZIAGYGMSSA-N 1 1 333.392 0.921 20 5 ECBDMO Cc1c(NC(=O)CCN2CCNCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000923464982 611246258 /nfs/dbraw/zinc/24/62/58/611246258.db2.gz TXFWBYJBMQGUNG-UHFFFAOYSA-N 1 1 335.408 0.727 20 5 ECBDMO Cc1ncc(C[NH3+])c(=N)n1-c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001167677390 737276735 /nfs/dbraw/zinc/27/67/35/737276735.db2.gz PEDJTPMWFSBZBQ-UHFFFAOYSA-N 1 1 337.361 0.431 20 5 ECBDMO C[N@@H+](CCN1CCCC1=O)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430548 747995971 /nfs/dbraw/zinc/99/59/71/747995971.db2.gz CENAGBOISUDDMK-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[N@H+](CCN1CCCC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430548 747995976 /nfs/dbraw/zinc/99/59/76/747995976.db2.gz CENAGBOISUDDMK-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[N@@H+](CCN1CCCC1=O)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430548 747995979 /nfs/dbraw/zinc/99/59/79/747995979.db2.gz CENAGBOISUDDMK-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO O=C(NCC[NH2+]Cc1ccc(-n2cccn2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126948612 757123725 /nfs/dbraw/zinc/12/37/25/757123725.db2.gz FDFCRSXKZQBWJM-HUUCEWRRSA-N 1 1 329.360 0.743 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3cnco3)C[C@H]2C1 ZINC001048968903 757545165 /nfs/dbraw/zinc/54/51/65/757545165.db2.gz SQPDOBCYEVNODA-PHIMTYICSA-N 1 1 346.347 0.520 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3cnco3)C[C@H]2C1 ZINC001048968903 757545169 /nfs/dbraw/zinc/54/51/69/757545169.db2.gz SQPDOBCYEVNODA-PHIMTYICSA-N 1 1 346.347 0.520 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)NC/C=C\CNc1ncccc1[N+](=O)[O-] ZINC001107253457 758051391 /nfs/dbraw/zinc/05/13/91/758051391.db2.gz FFYSGMZERVNWGF-UPHRSURJSA-N 1 1 349.391 0.796 20 5 ECBDMO O=C(NCc1cccc2c1CC[N@H+](CCCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051291343 761836292 /nfs/dbraw/zinc/83/62/92/761836292.db2.gz PXZFVVSYCZPVMY-HZPDHXFCSA-N 1 1 333.388 0.709 20 5 ECBDMO O=C(NCc1cccc2c1CC[N@@H+](CCCO)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051291343 761836300 /nfs/dbraw/zinc/83/63/00/761836300.db2.gz PXZFVVSYCZPVMY-HZPDHXFCSA-N 1 1 333.388 0.709 20 5 ECBDMO O=C(NCc1cccc2c1CC[N@H+](CCCO)C2)[C@@H]1CC1[N+](=O)[O-] ZINC001051291343 761836309 /nfs/dbraw/zinc/83/63/09/761836309.db2.gz PXZFVVSYCZPVMY-HZPDHXFCSA-N 1 1 333.388 0.709 20 5 ECBDMO COc1coc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1=O ZINC001020139854 772207378 /nfs/dbraw/zinc/20/73/78/772207378.db2.gz OVLOXPDSBPJWDU-CNVPUSNMSA-N 1 1 337.332 0.050 20 5 ECBDMO CCN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080379272 777770925 /nfs/dbraw/zinc/77/09/25/777770925.db2.gz RZOHPYUXUWOILZ-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO Cc1cc(NC(=O)C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000174709394 231285433 /nfs/dbraw/zinc/28/54/33/231285433.db2.gz XRKHJIAVCUCJHT-LLVKDONJSA-N 1 1 338.324 0.019 20 5 ECBDMO Cc1cc(NC(=O)C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000174709394 231285436 /nfs/dbraw/zinc/28/54/36/231285436.db2.gz XRKHJIAVCUCJHT-LLVKDONJSA-N 1 1 338.324 0.019 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000155267690 529851320 /nfs/dbraw/zinc/85/13/20/529851320.db2.gz XJOOEGNTBSFTJE-UHFFFAOYSA-N 1 1 334.376 0.942 20 5 ECBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000159585579 529872213 /nfs/dbraw/zinc/87/22/13/529872213.db2.gz DNFQVVREZKXVRZ-UHFFFAOYSA-N 1 1 325.365 0.846 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426099564 210131791 /nfs/dbraw/zinc/13/17/91/210131791.db2.gz BHFYDGLZBZWIHL-MRVPVSSYSA-N 1 1 335.286 0.829 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000426099564 210131794 /nfs/dbraw/zinc/13/17/94/210131794.db2.gz BHFYDGLZBZWIHL-MRVPVSSYSA-N 1 1 335.286 0.829 20 5 ECBDMO CN1CC[NH+](CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102487068 219206636 /nfs/dbraw/zinc/20/66/36/219206636.db2.gz VBCZBLAZIWPLCJ-UHFFFAOYSA-N 1 1 338.412 0.280 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)COC)CC2)n1 ZINC000424981673 209988878 /nfs/dbraw/zinc/98/88/78/209988878.db2.gz BWPQTDIULXBWCD-UHFFFAOYSA-N 1 1 339.396 0.994 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067483456 215151765 /nfs/dbraw/zinc/15/17/65/215151765.db2.gz SXEIUQIABCFIAG-LLVKDONJSA-N 1 1 330.348 0.857 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304043 299235300 /nfs/dbraw/zinc/23/53/00/299235300.db2.gz AUPOASUFSRFAHR-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304043 299235304 /nfs/dbraw/zinc/23/53/04/299235304.db2.gz AUPOASUFSRFAHR-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](CC)C[C@H]32)c1[N+](=O)[O-] ZINC000355304043 299235307 /nfs/dbraw/zinc/23/53/07/299235307.db2.gz AUPOASUFSRFAHR-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355417542 299252178 /nfs/dbraw/zinc/25/21/78/299252178.db2.gz KCGXJNDPEPFJPY-CQSZACIVSA-N 1 1 344.375 0.919 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000355599827 299279832 /nfs/dbraw/zinc/27/98/32/299279832.db2.gz DODGRKRMHFRCHN-NSHDSACASA-N 1 1 337.332 0.454 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000356150614 299356240 /nfs/dbraw/zinc/35/62/40/299356240.db2.gz OBTIAMLTJQYXQP-QWRGUYRKSA-N 1 1 339.396 0.946 20 5 ECBDMO CNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000111269664 220130127 /nfs/dbraw/zinc/13/01/27/220130127.db2.gz MGOXWVQYJYEIPI-JSGCOSHPSA-N 1 1 337.376 0.793 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266270622 248214444 /nfs/dbraw/zinc/21/44/44/248214444.db2.gz RCMXFZBKQWLJCM-LLVKDONJSA-N 1 1 335.364 0.247 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413901237 208370535 /nfs/dbraw/zinc/37/05/35/208370535.db2.gz LYOHFTSYIMKEIC-CYBMUJFWSA-N 1 1 335.360 0.701 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000430201600 210357777 /nfs/dbraw/zinc/35/77/77/210357777.db2.gz DLMOTSWQZMFEDM-OAHLLOKOSA-N 1 1 339.392 0.728 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000430201600 210357782 /nfs/dbraw/zinc/35/77/82/210357782.db2.gz DLMOTSWQZMFEDM-OAHLLOKOSA-N 1 1 339.392 0.728 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000416291699 208618177 /nfs/dbraw/zinc/61/81/77/208618177.db2.gz HXGGWVZAXOSGMX-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272458672 296767869 /nfs/dbraw/zinc/76/78/69/296767869.db2.gz OFBBGDYFHYNFPI-UHFFFAOYSA-N 1 1 349.391 0.459 20 5 ECBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159432123 225217583 /nfs/dbraw/zinc/21/75/83/225217583.db2.gz DDGNJNFDUAKGFY-UWVGGRQHSA-N 1 1 325.369 0.936 20 5 ECBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000189429605 263163246 /nfs/dbraw/zinc/16/32/46/263163246.db2.gz LIPLCMUOYOWLTP-UWVGGRQHSA-N 1 1 326.275 0.397 20 5 ECBDMO C[C@H]1C[NH+](CCCCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270795313 263273269 /nfs/dbraw/zinc/27/32/69/263273269.db2.gz MRZDDZZWMZQYGS-QWRGUYRKSA-N 1 1 325.369 0.937 20 5 ECBDMO CCc1[nH]nc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000271003690 263292546 /nfs/dbraw/zinc/29/25/46/263292546.db2.gz GEOLYEXZOMUXBY-UWVGGRQHSA-N 1 1 327.410 0.998 20 5 ECBDMO CNC(=O)[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000272814354 263377004 /nfs/dbraw/zinc/37/70/04/263377004.db2.gz DCAVUXJJTRVUTE-ZDUSSCGKSA-N 1 1 336.348 0.370 20 5 ECBDMO CNC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000272814354 263377006 /nfs/dbraw/zinc/37/70/06/263377006.db2.gz DCAVUXJJTRVUTE-ZDUSSCGKSA-N 1 1 336.348 0.370 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000295228547 265054036 /nfs/dbraw/zinc/05/40/36/265054036.db2.gz CBYNOCFRULOXLL-UHFFFAOYSA-N 1 1 329.378 0.330 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000174325256 533688417 /nfs/dbraw/zinc/68/84/17/533688417.db2.gz BVFMGAPLCSDWGA-NXEZZACHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000174325256 533688424 /nfs/dbraw/zinc/68/84/24/533688424.db2.gz BVFMGAPLCSDWGA-NXEZZACHSA-N 1 1 340.355 0.843 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000155509725 274023807 /nfs/dbraw/zinc/02/38/07/274023807.db2.gz XCWGWYVUSYOEIW-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000155509725 274023808 /nfs/dbraw/zinc/02/38/08/274023808.db2.gz XCWGWYVUSYOEIW-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COC(=O)[C@@H]1CSCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000412081415 277367153 /nfs/dbraw/zinc/36/71/53/277367153.db2.gz QZYPWGQFHJZWQC-NSHDSACASA-N 1 1 341.389 0.595 20 5 ECBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330715308 437597264 /nfs/dbraw/zinc/59/72/64/437597264.db2.gz SNCFVPFQHBSALB-MCIONIFRSA-N 1 1 326.397 0.881 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186950361 288144890 /nfs/dbraw/zinc/14/48/90/288144890.db2.gz FGOZECXOCMCGEM-LLVKDONJSA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CC(C)(C)O ZINC000189925854 437614302 /nfs/dbraw/zinc/61/43/02/437614302.db2.gz RIUXBYHYTFAWNV-CYBMUJFWSA-N 1 1 338.408 0.534 20 5 ECBDMO COC[C@H](C(N)=O)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000339359148 297343222 /nfs/dbraw/zinc/34/32/22/297343222.db2.gz JUGWSYJVPRZNOO-CYBMUJFWSA-N 1 1 338.364 0.664 20 5 ECBDMO COC[C@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000339359148 297343224 /nfs/dbraw/zinc/34/32/24/297343224.db2.gz JUGWSYJVPRZNOO-CYBMUJFWSA-N 1 1 338.364 0.664 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000339396427 297345473 /nfs/dbraw/zinc/34/54/73/297345473.db2.gz WRAFSMSSKZBNSP-HUUCEWRRSA-N 1 1 336.392 0.552 20 5 ECBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000354519496 299063490 /nfs/dbraw/zinc/06/34/90/299063490.db2.gz FRFGBNJXVHEGOF-STQMWFEESA-N 1 1 345.359 0.683 20 5 ECBDMO NS(=O)(=O)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000362466028 300192699 /nfs/dbraw/zinc/19/26/99/300192699.db2.gz BCRCSWHEBGVGLI-UHFFFAOYSA-N 1 1 329.378 0.727 20 5 ECBDMO O=C1CNCCN1[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362827138 300223980 /nfs/dbraw/zinc/22/39/80/300223980.db2.gz SFXUCNCMGZRRKC-HNNXBMFYSA-N 1 1 348.403 0.870 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000363618279 300280783 /nfs/dbraw/zinc/28/07/83/300280783.db2.gz YIYVTBAZOICGHS-OAHLLOKOSA-N 1 1 346.387 0.973 20 5 ECBDMO O=C(C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000363914276 300305972 /nfs/dbraw/zinc/30/59/72/300305972.db2.gz VRSOCZUGGVEXMJ-UHFFFAOYSA-N 1 1 334.380 0.884 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000364068781 300322999 /nfs/dbraw/zinc/32/29/99/300322999.db2.gz DSZLFLXQTKMJRW-NEPJUHHUSA-N 1 1 337.380 0.308 20 5 ECBDMO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000377819329 301378847 /nfs/dbraw/zinc/37/88/47/301378847.db2.gz SHPMVVXSLHXSPJ-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000377819329 301378850 /nfs/dbraw/zinc/37/88/50/301378850.db2.gz SHPMVVXSLHXSPJ-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000032270445 436235889 /nfs/dbraw/zinc/23/58/89/436235889.db2.gz DLJMGLWGHTVBDY-CYBMUJFWSA-N 1 1 325.369 0.264 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000081524366 436349534 /nfs/dbraw/zinc/34/95/34/436349534.db2.gz PLTKKCHAHJKJKI-NSHDSACASA-N 1 1 334.376 0.798 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000045621643 436371839 /nfs/dbraw/zinc/37/18/39/436371839.db2.gz WMOIWTVSHQEOCM-UHFFFAOYSA-N 1 1 349.391 0.604 20 5 ECBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000106396173 436593782 /nfs/dbraw/zinc/59/37/82/436593782.db2.gz ZRBRFGPYRDABHJ-GFCCVEGCSA-N 1 1 325.369 0.015 20 5 ECBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000531864953 302064746 /nfs/dbraw/zinc/06/47/46/302064746.db2.gz QKZQKSCMRIZEEU-UWVGGRQHSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000531864953 302064749 /nfs/dbraw/zinc/06/47/49/302064749.db2.gz QKZQKSCMRIZEEU-UWVGGRQHSA-N 1 1 326.378 0.893 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1CCOC ZINC000117299359 436657495 /nfs/dbraw/zinc/65/74/95/436657495.db2.gz VHTSDSBDHGXZKN-GFCCVEGCSA-N 1 1 339.396 0.820 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1CCOC ZINC000117299359 436657498 /nfs/dbraw/zinc/65/74/98/436657498.db2.gz VHTSDSBDHGXZKN-GFCCVEGCSA-N 1 1 339.396 0.820 20 5 ECBDMO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(-c2nc[nH]n2)no1 ZINC000120803914 436697732 /nfs/dbraw/zinc/69/77/32/436697732.db2.gz SDGSTOWTBRWGDT-SNVBAGLBSA-N 1 1 347.339 0.946 20 5 ECBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000245722873 436766473 /nfs/dbraw/zinc/76/64/73/436766473.db2.gz HSRYUOSMENAHFG-DGCLKSJQSA-N 1 1 347.366 0.814 20 5 ECBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3c([N+](=O)[O-])cnn3C)CC2)c1 ZINC000127866346 436808203 /nfs/dbraw/zinc/80/82/03/436808203.db2.gz UVNJBQFZLXPNBW-UHFFFAOYSA-N 1 1 330.348 0.994 20 5 ECBDMO NC(=O)CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247458600 436794109 /nfs/dbraw/zinc/79/41/09/436794109.db2.gz ICZSUBJBDSQVIO-AAEUAGOBSA-N 1 1 325.369 0.130 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000155530266 436797057 /nfs/dbraw/zinc/79/70/57/436797057.db2.gz YUJTYWLUHOAITF-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000155530266 436797060 /nfs/dbraw/zinc/79/70/60/436797060.db2.gz YUJTYWLUHOAITF-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO CC(C)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000132671902 436869423 /nfs/dbraw/zinc/86/94/23/436869423.db2.gz OGBROVTWHOMIAR-JTQLQIEISA-N 1 1 340.384 0.140 20 5 ECBDMO COC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000134046469 436889431 /nfs/dbraw/zinc/88/94/31/436889431.db2.gz YJMMGYYUCYBOIV-ZDUSSCGKSA-N 1 1 326.353 0.570 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280638132 436909700 /nfs/dbraw/zinc/90/97/00/436909700.db2.gz XYVKOUGHJQNWQK-GJZGRUSLSA-N 1 1 347.375 0.701 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000275400738 436964216 /nfs/dbraw/zinc/96/42/16/436964216.db2.gz BUZWVDNQAZJWQL-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000275400738 436964220 /nfs/dbraw/zinc/96/42/20/436964220.db2.gz BUZWVDNQAZJWQL-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000171192647 436972746 /nfs/dbraw/zinc/97/27/46/436972746.db2.gz UQBJFAVLQSESOU-UHFFFAOYSA-N 1 1 339.396 0.884 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275482489 436974912 /nfs/dbraw/zinc/97/49/12/436974912.db2.gz UQWYBGTZMZGPOZ-JTQLQIEISA-N 1 1 338.364 0.613 20 5 ECBDMO COCCC[N@@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000275496644 436976601 /nfs/dbraw/zinc/97/66/01/436976601.db2.gz QEQMSWQVQQCQAA-CYBMUJFWSA-N 1 1 328.365 0.665 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000275164916 436934216 /nfs/dbraw/zinc/93/42/16/436934216.db2.gz VBXYQBZVNWDQMF-JTQLQIEISA-N 1 1 337.332 0.462 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000298626225 437045090 /nfs/dbraw/zinc/04/50/90/437045090.db2.gz VINJOLJKMXKFDW-NSHDSACASA-N 1 1 341.364 0.607 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264730363 437074111 /nfs/dbraw/zinc/07/41/11/437074111.db2.gz ICJUVAFWZCZYFT-UHFFFAOYSA-N 1 1 338.412 0.277 20 5 ECBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000299515679 437086008 /nfs/dbraw/zinc/08/60/08/437086008.db2.gz NVBVDPBBYOXBIM-STQMWFEESA-N 1 1 336.392 0.993 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[NH+](CCCO)CC2)c1[N+](=O)[O-] ZINC000286499537 437093901 /nfs/dbraw/zinc/09/39/01/437093901.db2.gz ZZIQGXDIFBBCBC-UHFFFAOYSA-N 1 1 338.364 0.589 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[N@@H+](C)CC1 ZINC000331571226 437122597 /nfs/dbraw/zinc/12/25/97/437122597.db2.gz YQCLBMCHIKLXJA-LBPRGKRZSA-N 1 1 338.412 0.991 20 5 ECBDMO NC(=O)[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000276548200 437126103 /nfs/dbraw/zinc/12/61/03/437126103.db2.gz KAGYCQXVRATQCO-OAHLLOKOSA-N 1 1 332.316 0.672 20 5 ECBDMO NC(=O)[C@@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000276548200 437126107 /nfs/dbraw/zinc/12/61/07/437126107.db2.gz KAGYCQXVRATQCO-OAHLLOKOSA-N 1 1 332.316 0.672 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000265770299 437189488 /nfs/dbraw/zinc/18/94/88/437189488.db2.gz ODHZDVWQMGAXOH-UHFFFAOYSA-N 1 1 347.379 0.572 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000332085634 437204852 /nfs/dbraw/zinc/20/48/52/437204852.db2.gz FVPAKGLPXBPRRM-LBPRGKRZSA-N 1 1 335.364 0.302 20 5 ECBDMO CO[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC000276834845 437167777 /nfs/dbraw/zinc/16/77/77/437167777.db2.gz GZSBEYPPLSUDRA-YUELXQCFSA-N 1 1 326.349 0.680 20 5 ECBDMO COCC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265645395 437168078 /nfs/dbraw/zinc/16/80/78/437168078.db2.gz LMBITLTYVOFCLF-UHFFFAOYSA-N 1 1 341.364 0.873 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266904469 437263008 /nfs/dbraw/zinc/26/30/08/437263008.db2.gz JHXTUIPZKYQRIP-STQMWFEESA-N 1 1 339.396 0.654 20 5 ECBDMO Cc1cn[nH]c1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000290012972 437456624 /nfs/dbraw/zinc/45/66/24/437456624.db2.gz UPCLTHNNQWBSSU-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO Cc1c[nH]nc1C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000290012972 437456626 /nfs/dbraw/zinc/45/66/26/437456626.db2.gz UPCLTHNNQWBSSU-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330461977 437517111 /nfs/dbraw/zinc/51/71/11/437517111.db2.gz XYDCOENXBQECDV-MNOVXSKESA-N 1 1 345.425 0.772 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330834260 437628223 /nfs/dbraw/zinc/62/82/23/437628223.db2.gz ZSLKTWOJFGTMAA-LBPRGKRZSA-N 1 1 334.376 0.796 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000330834260 437628227 /nfs/dbraw/zinc/62/82/27/437628227.db2.gz ZSLKTWOJFGTMAA-LBPRGKRZSA-N 1 1 334.376 0.796 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000343716648 437636489 /nfs/dbraw/zinc/63/64/89/437636489.db2.gz BLLVNIMXJOFBOX-QWHCGFSZSA-N 1 1 328.390 0.744 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190818470 437637743 /nfs/dbraw/zinc/63/77/43/437637743.db2.gz FJMAVEUQEPMOEQ-NWDGAFQWSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000190818470 437637753 /nfs/dbraw/zinc/63/77/53/437637753.db2.gz FJMAVEUQEPMOEQ-NWDGAFQWSA-N 1 1 325.365 0.905 20 5 ECBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343751541 437647203 /nfs/dbraw/zinc/64/72/03/437647203.db2.gz QGJQMZPGYKMXLE-GFCCVEGCSA-N 1 1 340.380 0.538 20 5 ECBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292088112 437659059 /nfs/dbraw/zinc/65/90/59/437659059.db2.gz FGAFEPIIKONEBK-GFCCVEGCSA-N 1 1 343.405 0.939 20 5 ECBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000292088112 437659063 /nfs/dbraw/zinc/65/90/63/437659063.db2.gz FGAFEPIIKONEBK-GFCCVEGCSA-N 1 1 343.405 0.939 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)C[C@H]2C1 ZINC000192485162 437677578 /nfs/dbraw/zinc/67/75/78/437677578.db2.gz PPFAIWGDKJRIFN-TXEJJXNPSA-N 1 1 342.359 0.809 20 5 ECBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](C)[N@H+]1C ZINC000292749503 437720443 /nfs/dbraw/zinc/72/04/43/437720443.db2.gz JMIVHCNEADKUKC-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@H](C)[N@@H+]1C ZINC000292749503 437720447 /nfs/dbraw/zinc/72/04/47/437720447.db2.gz JMIVHCNEADKUKC-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000331219589 437720583 /nfs/dbraw/zinc/72/05/83/437720583.db2.gz ASYPUQQKRVSIPZ-LLVKDONJSA-N 1 1 345.425 0.962 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000331219589 437720586 /nfs/dbraw/zinc/72/05/86/437720586.db2.gz ASYPUQQKRVSIPZ-LLVKDONJSA-N 1 1 345.425 0.962 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000331235200 437723468 /nfs/dbraw/zinc/72/34/68/437723468.db2.gz SVLJVMNHXWLULU-LLVKDONJSA-N 1 1 345.425 0.821 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000331300621 437737793 /nfs/dbraw/zinc/73/77/93/437737793.db2.gz UTVFAUXNDRXIMI-SECBINFHSA-N 1 1 325.369 0.544 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1[N+](=O)[O-] ZINC000331300621 437737796 /nfs/dbraw/zinc/73/77/96/437737796.db2.gz UTVFAUXNDRXIMI-SECBINFHSA-N 1 1 325.369 0.544 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356110224 437749117 /nfs/dbraw/zinc/74/91/17/437749117.db2.gz MEPNLPKATDNOMJ-LLVKDONJSA-N 1 1 325.369 0.415 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000356110228 437749374 /nfs/dbraw/zinc/74/93/74/437749374.db2.gz MEPNLPKATDNOMJ-NSHDSACASA-N 1 1 325.369 0.415 20 5 ECBDMO O=C1C[C@]2(CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000364981868 437841249 /nfs/dbraw/zinc/84/12/49/437841249.db2.gz KSWKPKCBWSRJSM-WMLDXEAASA-N 1 1 344.371 0.912 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416296406 437905986 /nfs/dbraw/zinc/90/59/86/437905986.db2.gz NUQTUKHIOWZAHB-GHMZBOCLSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000416296406 437905990 /nfs/dbraw/zinc/90/59/90/437905990.db2.gz NUQTUKHIOWZAHB-GHMZBOCLSA-N 1 1 347.375 0.998 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]12 ZINC000366307459 438050482 /nfs/dbraw/zinc/05/04/82/438050482.db2.gz HJZRPEHUWKVMCO-UONOGXRCSA-N 1 1 333.344 0.958 20 5 ECBDMO COC(=O)CN1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372150582 438040463 /nfs/dbraw/zinc/04/04/63/438040463.db2.gz PFZCQMLGPUAPSI-OAHLLOKOSA-N 1 1 337.376 0.809 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000427830104 438085458 /nfs/dbraw/zinc/08/54/58/438085458.db2.gz GDIRBCLAOKJSLW-GFCCVEGCSA-N 1 1 338.412 0.425 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)C1 ZINC000358066068 438139140 /nfs/dbraw/zinc/13/91/40/438139140.db2.gz MAGUMZHCQGOSRO-CQSZACIVSA-N 1 1 345.302 0.993 20 5 ECBDMO Nc1nccc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000366986767 438151985 /nfs/dbraw/zinc/15/19/85/438151985.db2.gz GALWCVZVRXDGJH-LBPRGKRZSA-N 1 1 344.375 1.008 20 5 ECBDMO C[N@@H+]1CC[C@@](O)(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358327192 438201619 /nfs/dbraw/zinc/20/16/19/438201619.db2.gz XDBUNGWPGNFKIN-CYBMUJFWSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000358327192 438201622 /nfs/dbraw/zinc/20/16/22/438201622.db2.gz XDBUNGWPGNFKIN-CYBMUJFWSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000368594791 438352681 /nfs/dbraw/zinc/35/26/81/438352681.db2.gz XLNWTCBSQZWYRE-DOMZBBRYSA-N 1 1 346.387 0.877 20 5 ECBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)CC1 ZINC000369251963 438442977 /nfs/dbraw/zinc/44/29/77/438442977.db2.gz DGAOZSLXZYJSMM-NSHDSACASA-N 1 1 349.391 0.594 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c1 ZINC000369379698 438463262 /nfs/dbraw/zinc/46/32/62/438463262.db2.gz NYZSYUSGBOYTDM-OCCSQVGLSA-N 1 1 335.368 0.298 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000408450580 438575231 /nfs/dbraw/zinc/57/52/31/438575231.db2.gz FVUXJGAIEZQQIJ-WCQYABFASA-N 1 1 334.380 0.662 20 5 ECBDMO CC(C)(C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)n1cc([N+](=O)[O-])cn1 ZINC000452796513 438673894 /nfs/dbraw/zinc/67/38/94/438673894.db2.gz NJCUPWLFSLNLQX-GFCCVEGCSA-N 1 1 339.396 0.489 20 5 ECBDMO COC(=O)[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+](C)C1 ZINC000413494735 438694658 /nfs/dbraw/zinc/69/46/58/438694658.db2.gz ICBJZHDQVGISFC-SNVBAGLBSA-N 1 1 334.336 0.179 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000494810986 438709826 /nfs/dbraw/zinc/70/98/26/438709826.db2.gz USHKMFTWWVAYPI-AWEZNQCLSA-N 1 1 333.348 0.898 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000457101529 438793620 /nfs/dbraw/zinc/79/36/20/438793620.db2.gz PWWMHDMZNIMHDL-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000457101529 438793623 /nfs/dbraw/zinc/79/36/23/438793623.db2.gz PWWMHDMZNIMHDL-CYBMUJFWSA-N 1 1 337.376 0.807 20 5 ECBDMO C[C@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+]1CC(C)(C)O ZINC000588027256 438813811 /nfs/dbraw/zinc/81/38/11/438813811.db2.gz YMOJFFNHASNYSA-NSHDSACASA-N 1 1 338.408 0.951 20 5 ECBDMO COc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864038 438845383 /nfs/dbraw/zinc/84/53/83/438845383.db2.gz XFXAOVGRYUAZIL-STQMWFEESA-N 1 1 335.360 0.885 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863009 438846077 /nfs/dbraw/zinc/84/60/77/438846077.db2.gz NUMSCPMEDZWRNJ-OLZOCXBDSA-N 1 1 337.380 0.157 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595742152 438853582 /nfs/dbraw/zinc/85/35/82/438853582.db2.gz OOLJOAUTZFFYLH-XNRPHZJLSA-N 1 1 349.387 0.935 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CCc2nc[nH]c2C1 ZINC000590379159 438914019 /nfs/dbraw/zinc/91/40/19/438914019.db2.gz LRFYYDJGRXZMEU-UHFFFAOYSA-N 1 1 329.316 0.633 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000596200256 438941322 /nfs/dbraw/zinc/94/13/22/438941322.db2.gz JUGMTMGPCZMFFA-JTQLQIEISA-N 1 1 337.361 0.866 20 5 ECBDMO NC(=O)c1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-] ZINC000596538418 438974180 /nfs/dbraw/zinc/97/41/80/438974180.db2.gz KOTUPBKZKFZNST-CYBMUJFWSA-N 1 1 334.376 0.729 20 5 ECBDMO Cn1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)c([N+](=O)[O-])n1 ZINC000602434562 439086714 /nfs/dbraw/zinc/08/67/14/439086714.db2.gz GMSLLRLZTGLQOU-GFCCVEGCSA-N 1 1 337.380 0.399 20 5 ECBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592184182 439174203 /nfs/dbraw/zinc/17/42/03/439174203.db2.gz HQEUNMYIBFCXGL-NSHDSACASA-N 1 1 335.286 0.792 20 5 ECBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000597624736 439141440 /nfs/dbraw/zinc/14/14/40/439141440.db2.gz KKOYSNLBNVDNTF-AWEZNQCLSA-N 1 1 348.403 0.870 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)CN2CCCC2)c1 ZINC000592430260 439226560 /nfs/dbraw/zinc/22/65/60/439226560.db2.gz RNENHQVSTGHSHT-GJZGRUSLSA-N 1 1 339.392 0.381 20 5 ECBDMO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000597874857 439196898 /nfs/dbraw/zinc/19/68/98/439196898.db2.gz RNXDNNAOOXPTFZ-UHFFFAOYSA-N 1 1 337.380 0.939 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000603740144 439279380 /nfs/dbraw/zinc/27/93/80/439279380.db2.gz PJECVMKEJIIZCX-ZDUSSCGKSA-N 1 1 349.391 0.312 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000582063255 439285848 /nfs/dbraw/zinc/28/58/48/439285848.db2.gz VRXCMNVLPDRDKM-KGLIPLIRSA-N 1 1 339.392 0.381 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000599107316 439360759 /nfs/dbraw/zinc/36/07/59/439360759.db2.gz MJNWMIPLUDHUDX-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599237071 439395371 /nfs/dbraw/zinc/39/53/71/439395371.db2.gz KNTOCDOWVWOGSZ-SNVBAGLBSA-N 1 1 331.398 0.291 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)nc1 ZINC000593531233 439395807 /nfs/dbraw/zinc/39/58/07/439395807.db2.gz PKVMKJMACIHDLM-VXGBXAGGSA-N 1 1 326.378 0.895 20 5 ECBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599244986 439396686 /nfs/dbraw/zinc/39/66/86/439396686.db2.gz OUXZDVAZBRIHNS-WDEREUQCSA-N 1 1 345.425 0.679 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593550998 439402055 /nfs/dbraw/zinc/40/20/55/439402055.db2.gz PPEHDDXPUVNZTM-CMPLNLGQSA-N 1 1 328.394 0.951 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593553671 439402910 /nfs/dbraw/zinc/40/29/10/439402910.db2.gz UQFRWPGIGLNMKL-UHFFFAOYSA-N 1 1 332.382 0.236 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCCC[NH+]2CCCC2)n1 ZINC000599314204 439427792 /nfs/dbraw/zinc/42/77/92/439427792.db2.gz YJCIZSNOAFOBAE-UHFFFAOYSA-N 1 1 345.425 0.873 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000583227772 439437312 /nfs/dbraw/zinc/43/73/12/439437312.db2.gz ZNNKILRZIPLLHV-BXUZGUMPSA-N 1 1 326.349 0.657 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000608799915 439545708 /nfs/dbraw/zinc/54/57/08/439545708.db2.gz QRWAQSNCZZNJBG-NSHDSACASA-N 1 1 336.348 0.742 20 5 ECBDMO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400260 439553730 /nfs/dbraw/zinc/55/37/30/439553730.db2.gz AAKNFIREZPYSTI-GARJFASQSA-N 1 1 338.364 0.923 20 5 ECBDMO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594400260 439553737 /nfs/dbraw/zinc/55/37/37/439553737.db2.gz AAKNFIREZPYSTI-GARJFASQSA-N 1 1 338.364 0.923 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000609665536 439582604 /nfs/dbraw/zinc/58/26/04/439582604.db2.gz UEJAJJQOJQGARX-ZDUSSCGKSA-N 1 1 335.408 0.785 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000610262212 439606912 /nfs/dbraw/zinc/60/69/12/439606912.db2.gz PPBUORKWKPRFSD-GHMZBOCLSA-N 1 1 326.378 0.895 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000610711943 439640901 /nfs/dbraw/zinc/64/09/01/439640901.db2.gz PWDYFTZNSKKHEW-UHFFFAOYSA-N 1 1 326.378 0.502 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccncc2)nc1 ZINC000595109733 439653817 /nfs/dbraw/zinc/65/38/17/439653817.db2.gz LCHXGMDXOLPPLN-ZDUSSCGKSA-N 1 1 349.372 0.720 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000573754613 439664041 /nfs/dbraw/zinc/66/40/41/439664041.db2.gz IGHAWFMDQHUPPK-SWLSCSKDSA-N 1 1 337.376 0.907 20 5 ECBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808449 439703709 /nfs/dbraw/zinc/70/37/09/439703709.db2.gz OUQRXMWZMRSAAY-JTQLQIEISA-N 1 1 329.303 0.598 20 5 ECBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600528212 439674488 /nfs/dbraw/zinc/67/44/88/439674488.db2.gz QCPDPPMFGSKZIZ-OAHLLOKOSA-N 1 1 336.392 0.970 20 5 ECBDMO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)nn21 ZINC000611239223 439684415 /nfs/dbraw/zinc/68/44/15/439684415.db2.gz LKZFGEMPZFLCSS-GFCCVEGCSA-N 1 1 332.364 0.939 20 5 ECBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000574308186 439698073 /nfs/dbraw/zinc/69/80/73/439698073.db2.gz GLMLIWRKECMTAE-ZDUSSCGKSA-N 1 1 334.376 0.877 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612057540 439745705 /nfs/dbraw/zinc/74/57/05/439745705.db2.gz QEZZSNDIUQXVJE-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO C[N@H+](CC(=O)N1CCCC1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612057540 439745706 /nfs/dbraw/zinc/74/57/06/439745706.db2.gz QEZZSNDIUQXVJE-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO CCc1ccc([C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[NH2+]2)cc1 ZINC000337570811 320951078 /nfs/dbraw/zinc/95/10/78/320951078.db2.gz CWFJTAYMVWZNJO-AWEZNQCLSA-N 1 1 344.375 0.922 20 5 ECBDMO CC(C)[NH+]1CCN([C@H]2CCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000531340868 322038344 /nfs/dbraw/zinc/03/83/44/322038344.db2.gz ZFJYSMPMHGXNRV-HNNXBMFYSA-N 1 1 336.440 0.892 20 5 ECBDMO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000420935771 546214993 /nfs/dbraw/zinc/21/49/93/546214993.db2.gz KFRPQOIJYKVKLU-QWHCGFSZSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](CO)O1 ZINC000420935771 546214996 /nfs/dbraw/zinc/21/49/96/546214996.db2.gz KFRPQOIJYKVKLU-QWHCGFSZSA-N 1 1 340.376 0.806 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000619871472 546376677 /nfs/dbraw/zinc/37/66/77/546376677.db2.gz JVLNWDGNGWNJQV-LBPRGKRZSA-N 1 1 337.380 0.953 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110239 579347411 /nfs/dbraw/zinc/34/74/11/579347411.db2.gz ZTZGSNVDLMOKCS-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110239 579347413 /nfs/dbraw/zinc/34/74/13/579347413.db2.gz ZTZGSNVDLMOKCS-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000789562277 578856688 /nfs/dbraw/zinc/85/66/88/578856688.db2.gz WWWOTZYJZUHCON-WBMJQRKESA-N 1 1 336.344 0.961 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1[N+](=O)[O-] ZINC000789562277 578856690 /nfs/dbraw/zinc/85/66/90/578856690.db2.gz WWWOTZYJZUHCON-WBMJQRKESA-N 1 1 336.344 0.961 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cs1 ZINC000768833992 579132937 /nfs/dbraw/zinc/13/29/37/579132937.db2.gz JFNRIKKVYVOUGQ-ZJUUUORDSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cs1 ZINC000768833992 579132938 /nfs/dbraw/zinc/13/29/38/579132938.db2.gz JFNRIKKVYVOUGQ-ZJUUUORDSA-N 1 1 347.418 0.798 20 5 ECBDMO CNS(=O)(=O)C1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582402 579284717 /nfs/dbraw/zinc/28/47/17/579284717.db2.gz PSOAWFNUOZHPRV-CQSZACIVSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591391 579285274 /nfs/dbraw/zinc/28/52/74/579285274.db2.gz OSLHENSOTUTSLG-STQMWFEESA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591391 579285276 /nfs/dbraw/zinc/28/52/76/579285276.db2.gz OSLHENSOTUTSLG-STQMWFEESA-N 1 1 329.378 0.252 20 5 ECBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)NC ZINC000764201247 579572815 /nfs/dbraw/zinc/57/28/15/579572815.db2.gz IHAZTFQGJJNESQ-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000888998739 586062156 /nfs/dbraw/zinc/06/21/56/586062156.db2.gz HAXHXYXHVAVZGB-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO COc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])ccc1OCC[NH+](C)C ZINC000839592562 586881481 /nfs/dbraw/zinc/88/14/81/586881481.db2.gz UBZGDYUZEHYXMA-CHWSQXEVSA-N 1 1 337.376 0.917 20 5 ECBDMO COC(=O)[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000839630838 586884957 /nfs/dbraw/zinc/88/49/57/586884957.db2.gz POOFWDJFLYKQKO-UKRRQHHQSA-N 1 1 337.376 0.665 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371270 587340327 /nfs/dbraw/zinc/34/03/27/587340327.db2.gz TWVTUZUMFUVAJL-IAQYHMDHSA-N 1 1 348.359 0.557 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000817371270 587340329 /nfs/dbraw/zinc/34/03/29/587340329.db2.gz TWVTUZUMFUVAJL-IAQYHMDHSA-N 1 1 348.359 0.557 20 5 ECBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1C[N@H+](C)CCO1 ZINC000820461303 587534877 /nfs/dbraw/zinc/53/48/77/587534877.db2.gz GZPHAODNLXZOHE-NOZJJQNGSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1C[N@@H+](C)CCO1 ZINC000820461303 587534878 /nfs/dbraw/zinc/53/48/78/587534878.db2.gz GZPHAODNLXZOHE-NOZJJQNGSA-N 1 1 333.352 0.906 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824707787 587889550 /nfs/dbraw/zinc/88/95/50/587889550.db2.gz VZTGPAZXNGNZCM-MNOVXSKESA-N 1 1 347.379 0.666 20 5 ECBDMO CC1(C)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000830554352 588375760 /nfs/dbraw/zinc/37/57/60/588375760.db2.gz YFVDRQBWXUPYER-AWEZNQCLSA-N 1 1 337.376 0.543 20 5 ECBDMO CC1(C)CN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000830554352 588375762 /nfs/dbraw/zinc/37/57/62/588375762.db2.gz YFVDRQBWXUPYER-AWEZNQCLSA-N 1 1 337.376 0.543 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000832823703 588507311 /nfs/dbraw/zinc/50/73/11/588507311.db2.gz VKAIMOSIIHWRDS-OAHLLOKOSA-N 1 1 338.408 0.628 20 5 ECBDMO CN(CCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000832823703 588507312 /nfs/dbraw/zinc/50/73/12/588507312.db2.gz VKAIMOSIIHWRDS-OAHLLOKOSA-N 1 1 338.408 0.628 20 5 ECBDMO CNc1nccc(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406507 589245918 /nfs/dbraw/zinc/24/59/18/589245918.db2.gz CQSIKZBCGPCLMZ-GHMZBOCLSA-N 1 1 335.364 0.625 20 5 ECBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000868343993 589894300 /nfs/dbraw/zinc/89/43/00/589894300.db2.gz MRCBWAWTHIPRRJ-QWHCGFSZSA-N 1 1 337.351 0.944 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000880166972 590374821 /nfs/dbraw/zinc/37/48/21/590374821.db2.gz MTNRSWOPDWPTKQ-UHFFFAOYSA-N 1 1 349.391 0.340 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000924984877 608686762 /nfs/dbraw/zinc/68/67/62/608686762.db2.gz YMHGOWPHNDCURN-RYUDHWBXSA-N 1 1 327.768 0.972 20 5 ECBDMO CNC(=O)c1ccc(N(C)CC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000919721376 609660670 /nfs/dbraw/zinc/66/06/70/609660670.db2.gz DSFQOFQUYVRHME-UHFFFAOYSA-N 1 1 349.391 0.165 20 5 ECBDMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919854 721847228 /nfs/dbraw/zinc/84/72/28/721847228.db2.gz DJSRLMLEMGZCOQ-VXGBXAGGSA-N 1 1 336.396 0.608 20 5 ECBDMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)ncc1[N+](=O)[O-] ZINC001164919854 721847230 /nfs/dbraw/zinc/84/72/30/721847230.db2.gz DJSRLMLEMGZCOQ-VXGBXAGGSA-N 1 1 336.396 0.608 20 5 ECBDMO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776704 739945655 /nfs/dbraw/zinc/94/56/55/739945655.db2.gz FRYYUEMQUXOUMD-LJIZCISZSA-N 1 1 347.419 0.984 20 5 ECBDMO Cc1nn(C(C)C)cc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776704 739945659 /nfs/dbraw/zinc/94/56/59/739945659.db2.gz FRYYUEMQUXOUMD-LJIZCISZSA-N 1 1 347.419 0.984 20 5 ECBDMO Cc1nn(C(C)C)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025776704 739945660 /nfs/dbraw/zinc/94/56/60/739945660.db2.gz FRYYUEMQUXOUMD-LJIZCISZSA-N 1 1 347.419 0.984 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2nnnn2C2CC2)CC1 ZINC000997772230 743801920 /nfs/dbraw/zinc/80/19/20/743801920.db2.gz MPOPCWVQFFYBQP-CHWSQXEVSA-N 1 1 349.395 0.001 20 5 ECBDMO Cc1nnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1C1CC1 ZINC000983648894 744992600 /nfs/dbraw/zinc/99/26/00/744992600.db2.gz LJPMCUVABSCOEB-HBJVGIJOSA-N 1 1 348.407 0.571 20 5 ECBDMO CC(C)n1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)nn1 ZINC000983654602 745000441 /nfs/dbraw/zinc/00/04/41/745000441.db2.gz OWPUTGWISZRFKX-HBJVGIJOSA-N 1 1 336.396 0.509 20 5 ECBDMO Cn1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1=O ZINC001000669731 745684738 /nfs/dbraw/zinc/68/47/38/745684738.db2.gz LNFYALTVEODWPT-HUUCEWRRSA-N 1 1 346.387 0.299 20 5 ECBDMO Cn1ccc(C[N@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001000669731 745684741 /nfs/dbraw/zinc/68/47/41/745684741.db2.gz LNFYALTVEODWPT-HUUCEWRRSA-N 1 1 346.387 0.299 20 5 ECBDMO Cn1ccc(C[N@@H+]2CC=C(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001000669731 745684746 /nfs/dbraw/zinc/68/47/46/745684746.db2.gz LNFYALTVEODWPT-HUUCEWRRSA-N 1 1 346.387 0.299 20 5 ECBDMO Cn1nccc1CC[NH+]1CCC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001001398295 746339917 /nfs/dbraw/zinc/33/99/17/746339917.db2.gz BPHOOYWJHGLNSP-HUUCEWRRSA-N 1 1 335.408 0.456 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000981763370 751074522 /nfs/dbraw/zinc/07/45/22/751074522.db2.gz HGQZCNQWHCTDIF-ZIAGYGMSSA-N 1 1 333.392 0.473 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCn1cccn1)C2 ZINC000981763370 751074529 /nfs/dbraw/zinc/07/45/29/751074529.db2.gz HGQZCNQWHCTDIF-ZIAGYGMSSA-N 1 1 333.392 0.473 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCn1cccn1)C2 ZINC000981763370 751074537 /nfs/dbraw/zinc/07/45/37/751074537.db2.gz HGQZCNQWHCTDIF-ZIAGYGMSSA-N 1 1 333.392 0.473 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])N(C1CC1)C1CCCC1 ZINC001126938750 756793950 /nfs/dbraw/zinc/79/39/50/756793950.db2.gz JKJZORBDMUHRLF-ZIAGYGMSSA-N 1 1 338.408 0.291 20 5 ECBDMO CCN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C1CCCCC1 ZINC001126942824 756906907 /nfs/dbraw/zinc/90/69/07/756906907.db2.gz HTADKPMVTOQUIN-ZIAGYGMSSA-N 1 1 340.424 0.539 20 5 ECBDMO Cc1cccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814443 757082924 /nfs/dbraw/zinc/08/29/24/757082924.db2.gz LLQAPZITMDBBJJ-HLPPOEQASA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1cccnc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814443 757082930 /nfs/dbraw/zinc/08/29/30/757082930.db2.gz LLQAPZITMDBBJJ-HLPPOEQASA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1cccnc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814443 757082935 /nfs/dbraw/zinc/08/29/35/757082935.db2.gz LLQAPZITMDBBJJ-HLPPOEQASA-N 1 1 330.388 0.945 20 5 ECBDMO NC(=O)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC001022063588 758226571 /nfs/dbraw/zinc/22/65/71/758226571.db2.gz FIDFFGBQBIABNV-XJFOESAGSA-N 1 1 332.360 0.188 20 5 ECBDMO Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001050326306 760131581 /nfs/dbraw/zinc/13/15/81/760131581.db2.gz WQKNCWRBWZGFRM-FDYHWXHSSA-N 1 1 337.380 0.808 20 5 ECBDMO Cc1ncc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)cn1 ZINC001050516681 760412305 /nfs/dbraw/zinc/41/23/05/760412305.db2.gz GMEWFYOCTLNCBV-HUUCEWRRSA-N 1 1 345.403 0.875 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001048697752 760963495 /nfs/dbraw/zinc/96/34/95/760963495.db2.gz PERYDWXWMDHMGH-TXEJJXNPSA-N 1 1 345.363 0.255 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001048697752 760963500 /nfs/dbraw/zinc/96/35/00/760963500.db2.gz PERYDWXWMDHMGH-TXEJJXNPSA-N 1 1 345.363 0.255 20 5 ECBDMO O=C(NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1)c1cnc[nH]c1=O ZINC001031757572 767160569 /nfs/dbraw/zinc/16/05/69/767160569.db2.gz YTIMTZDABYKTCH-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO CC[N@H+]1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001074109710 787897499 /nfs/dbraw/zinc/89/74/99/787897499.db2.gz ICVMHEFUYXKLHE-CHWSQXEVSA-N 1 1 348.407 0.485 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189343914 437592204 /nfs/dbraw/zinc/59/22/04/437592204.db2.gz URRJIWUVJXIHNC-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO NC(=O)CC[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174709733 231285543 /nfs/dbraw/zinc/28/55/43/231285543.db2.gz UROVEEWJFGCLST-HNNXBMFYSA-N 1 1 347.375 0.530 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000427828077 210221765 /nfs/dbraw/zinc/22/17/65/210221765.db2.gz AVJYHLQVLPXISV-GFCCVEGCSA-N 1 1 337.380 0.606 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000066620687 215059199 /nfs/dbraw/zinc/05/91/99/215059199.db2.gz NXNPDZLXOZTBTL-LBPRGKRZSA-N 1 1 346.387 0.925 20 5 ECBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309184 299236702 /nfs/dbraw/zinc/23/67/02/299236702.db2.gz CFYVRWQROIJJKI-LLVKDONJSA-N 1 1 325.369 0.809 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186941998 236072597 /nfs/dbraw/zinc/07/25/97/236072597.db2.gz IMSQUJJBLILGBE-JTQLQIEISA-N 1 1 339.396 0.554 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000186941998 236072600 /nfs/dbraw/zinc/07/26/00/236072600.db2.gz IMSQUJJBLILGBE-JTQLQIEISA-N 1 1 339.396 0.554 20 5 ECBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000420595833 209397741 /nfs/dbraw/zinc/39/77/41/209397741.db2.gz GRIKVJZRGLZSOW-GFCCVEGCSA-N 1 1 334.376 0.852 20 5 ECBDMO Cc1ccc(N2CCC(NC(=O)Cn3cnc([N+](=O)[O-])n3)CC2)[nH+]c1 ZINC000356191378 299362079 /nfs/dbraw/zinc/36/20/79/299362079.db2.gz SMMYPXRJTAKLGH-UHFFFAOYSA-N 1 1 345.363 0.675 20 5 ECBDMO COc1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000080846828 217337065 /nfs/dbraw/zinc/33/70/65/217337065.db2.gz TZXXTASHIQOEKD-CYBMUJFWSA-N 1 1 336.348 0.998 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456228881 211649073 /nfs/dbraw/zinc/64/90/73/211649073.db2.gz RECVUJMPKUTZJC-BETUJISGSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456228881 211649076 /nfs/dbraw/zinc/64/90/76/211649076.db2.gz RECVUJMPKUTZJC-BETUJISGSA-N 1 1 337.376 0.887 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000093159067 218199874 /nfs/dbraw/zinc/19/98/74/218199874.db2.gz NJFNFDUEIFEYAJ-UHFFFAOYSA-N 1 1 347.419 0.491 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000444831237 211100219 /nfs/dbraw/zinc/10/02/19/211100219.db2.gz YWQQKEUBXOHJDL-LBPRGKRZSA-N 1 1 338.364 0.782 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](CC)C(C)C)c([N+](=O)[O-])n1 ZINC000444165734 211054515 /nfs/dbraw/zinc/05/45/15/211054515.db2.gz HRLNKBQURXUNBZ-UHFFFAOYSA-N 1 1 333.414 0.820 20 5 ECBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000411955962 208178688 /nfs/dbraw/zinc/17/86/88/208178688.db2.gz ARYGMPZITXNUTP-INIZCTEOSA-N 1 1 329.360 0.920 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@H+](C)C1 ZINC000413918672 208376628 /nfs/dbraw/zinc/37/66/28/208376628.db2.gz LLKTXNAMGCITLI-NSHDSACASA-N 1 1 336.348 0.475 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2C)CC[N@@H+](C)C1 ZINC000413918672 208376631 /nfs/dbraw/zinc/37/66/31/208376631.db2.gz LLKTXNAMGCITLI-NSHDSACASA-N 1 1 336.348 0.475 20 5 ECBDMO C[NH+](C)CCN1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193154227 165053000 /nfs/dbraw/zinc/05/30/00/165053000.db2.gz FZQNXLBFMUFTEC-UHFFFAOYSA-N 1 1 346.391 0.791 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000193600716 165057286 /nfs/dbraw/zinc/05/72/86/165057286.db2.gz NFAZWFIRDPLWJS-OKILXGFUSA-N 1 1 330.388 0.977 20 5 ECBDMO COCC[N@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000171406276 227065085 /nfs/dbraw/zinc/06/50/85/227065085.db2.gz LFKQBXPJPYZKIH-UHFFFAOYSA-N 1 1 331.394 0.988 20 5 ECBDMO COCC[N@@H+](C)CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000171406276 227065088 /nfs/dbraw/zinc/06/50/88/227065088.db2.gz LFKQBXPJPYZKIH-UHFFFAOYSA-N 1 1 331.394 0.988 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176657483 263153346 /nfs/dbraw/zinc/15/33/46/263153346.db2.gz PSDGTNWTVSCVKO-UHFFFAOYSA-N 1 1 335.364 0.071 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269683277 263197010 /nfs/dbraw/zinc/19/70/10/263197010.db2.gz YXVYVTITUMXRES-SMDDNHRTSA-N 1 1 343.405 0.629 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000270590408 263254157 /nfs/dbraw/zinc/25/41/57/263254157.db2.gz CBZYLPGVRFPNMR-LBPRGKRZSA-N 1 1 325.369 0.144 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272378268 263345632 /nfs/dbraw/zinc/34/56/32/263345632.db2.gz FJZJSMZRJQWHRB-UHFFFAOYSA-N 1 1 335.408 0.887 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000282725652 264059535 /nfs/dbraw/zinc/05/95/35/264059535.db2.gz CGCMPRHFJHQHBU-ZJUUUORDSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](C)C1 ZINC000282725652 264059537 /nfs/dbraw/zinc/05/95/37/264059537.db2.gz CGCMPRHFJHQHBU-ZJUUUORDSA-N 1 1 340.355 0.843 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299226354 265353904 /nfs/dbraw/zinc/35/39/04/265353904.db2.gz NVUPMZILWDMWSN-NSHDSACASA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000299226354 265353907 /nfs/dbraw/zinc/35/39/07/265353907.db2.gz NVUPMZILWDMWSN-NSHDSACASA-N 1 1 329.378 0.976 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000189368187 437593678 /nfs/dbraw/zinc/59/36/78/437593678.db2.gz SPZBTXXDVXDUDO-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000419348953 277322759 /nfs/dbraw/zinc/32/27/59/277322759.db2.gz SSMDPBWHTIHSRH-AWEZNQCLSA-N 1 1 335.360 0.891 20 5 ECBDMO COC(=O)CNC(=O)[C@@H]1CCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000419348953 277322760 /nfs/dbraw/zinc/32/27/60/277322760.db2.gz SSMDPBWHTIHSRH-AWEZNQCLSA-N 1 1 335.360 0.891 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000359842312 299902006 /nfs/dbraw/zinc/90/20/06/299902006.db2.gz PYESMUOECXNYTE-NSHDSACASA-N 1 1 335.364 0.366 20 5 ECBDMO O=C1NC[C@@H]2[C@@H]1CCC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337209444 297185219 /nfs/dbraw/zinc/18/52/19/297185219.db2.gz AXSYUAQTAXHHGT-AEGPPILISA-N 1 1 335.360 0.545 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])n1 ZINC000339043253 297316445 /nfs/dbraw/zinc/31/64/45/297316445.db2.gz WRJYLCBMPVABPC-UHFFFAOYSA-N 1 1 345.425 0.964 20 5 ECBDMO CNC(=O)NC(=O)CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345646812 298179189 /nfs/dbraw/zinc/17/91/89/298179189.db2.gz TUHKJZVENDPZBO-SNVBAGLBSA-N 1 1 336.352 0.322 20 5 ECBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@H]4COC[C@@H]4O)CC3)nc2c1 ZINC000361333418 300083412 /nfs/dbraw/zinc/08/34/12/300083412.db2.gz AEAREVXTEHRDSZ-GJZGRUSLSA-N 1 1 347.375 0.743 20 5 ECBDMO C[C@H]1OCC[C@H]1[N@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582356 300107901 /nfs/dbraw/zinc/10/79/01/300107901.db2.gz IZOOAVPHIBMIAD-IUODEOHRSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000361582356 300107902 /nfs/dbraw/zinc/10/79/02/300107902.db2.gz IZOOAVPHIBMIAD-IUODEOHRSA-N 1 1 349.387 0.956 20 5 ECBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000361588429 300108745 /nfs/dbraw/zinc/10/87/45/300108745.db2.gz RSBFUKOIYUVQJX-NOLJZWGESA-N 1 1 340.376 0.806 20 5 ECBDMO COc1ccnc(N2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)n1 ZINC000363637075 300282533 /nfs/dbraw/zinc/28/25/33/300282533.db2.gz JFHIRXXHPNVCND-UHFFFAOYSA-N 1 1 347.379 0.802 20 5 ECBDMO O=C1CCCN1C[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364340096 300347010 /nfs/dbraw/zinc/34/70/10/300347010.db2.gz RJMFZABBNRAABN-OCCSQVGLSA-N 1 1 337.380 0.412 20 5 ECBDMO NC(=O)c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000024153722 436132344 /nfs/dbraw/zinc/13/23/44/436132344.db2.gz LJERAOGFSVGEBQ-CYBMUJFWSA-N 1 1 334.376 0.995 20 5 ECBDMO CN1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)C1=O ZINC000372557410 301008877 /nfs/dbraw/zinc/00/88/77/301008877.db2.gz MMQWEAOPAHXBSR-HIFRSBDPSA-N 1 1 337.380 0.097 20 5 ECBDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000372752974 301026549 /nfs/dbraw/zinc/02/65/49/301026549.db2.gz TZZRTYKXFFNYCB-GFCCVEGCSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000372752974 301026551 /nfs/dbraw/zinc/02/65/51/301026551.db2.gz TZZRTYKXFFNYCB-GFCCVEGCSA-N 1 1 343.405 0.672 20 5 ECBDMO CCCNC(=O)NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373243529 301054193 /nfs/dbraw/zinc/05/41/93/301054193.db2.gz IVHYWZOSHGWOHS-UHFFFAOYSA-N 1 1 338.368 0.664 20 5 ECBDMO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(=O)(=O)CC ZINC000075742625 436171429 /nfs/dbraw/zinc/17/14/29/436171429.db2.gz XGSZLCVGIJHRJD-AAEUAGOBSA-N 1 1 348.425 0.297 20 5 ECBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(=O)(=O)CC ZINC000075742625 436171436 /nfs/dbraw/zinc/17/14/36/436171436.db2.gz XGSZLCVGIJHRJD-AAEUAGOBSA-N 1 1 348.425 0.297 20 5 ECBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376174082 301240388 /nfs/dbraw/zinc/24/03/88/301240388.db2.gz PAGLDXOZCMRFFX-NWDGAFQWSA-N 1 1 332.364 0.937 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000048317208 436449031 /nfs/dbraw/zinc/44/90/31/436449031.db2.gz DBSSQULMUXUEPR-GHMZBOCLSA-N 1 1 340.384 0.190 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131736 436484652 /nfs/dbraw/zinc/48/46/52/436484652.db2.gz SHOFSLKUMMFFSQ-ZDUSSCGKSA-N 1 1 336.348 0.418 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC000051131736 436484655 /nfs/dbraw/zinc/48/46/55/436484655.db2.gz SHOFSLKUMMFFSQ-ZDUSSCGKSA-N 1 1 336.348 0.418 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000548741141 302324077 /nfs/dbraw/zinc/32/40/77/302324077.db2.gz CZCVVTPYMLQZTI-NXEZZACHSA-N 1 1 325.369 0.936 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000271443324 436688744 /nfs/dbraw/zinc/68/87/44/436688744.db2.gz UIEBAXHTMAJYEY-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000271443324 436688750 /nfs/dbraw/zinc/68/87/50/436688750.db2.gz UIEBAXHTMAJYEY-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151387817 436702298 /nfs/dbraw/zinc/70/22/98/436702298.db2.gz FGJDBLMNHXFAMY-NSHDSACASA-N 1 1 335.368 0.932 20 5 ECBDMO Cc1cc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000139961686 436667932 /nfs/dbraw/zinc/66/79/32/436667932.db2.gz JXFNJGLEVQAMKV-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000068177486 436736758 /nfs/dbraw/zinc/73/67/58/436736758.db2.gz CRPPGUMZEASFSG-CYBMUJFWSA-N 1 1 337.380 0.423 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000128041794 436810908 /nfs/dbraw/zinc/81/09/08/436810908.db2.gz RKSFBHFTBXQWHS-OCCSQVGLSA-N 1 1 337.380 0.551 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000128041794 436810911 /nfs/dbraw/zinc/81/09/11/436810911.db2.gz RKSFBHFTBXQWHS-OCCSQVGLSA-N 1 1 337.380 0.551 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249546008 436822470 /nfs/dbraw/zinc/82/24/70/436822470.db2.gz GHBPVPLZJMMLEG-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249546008 436822472 /nfs/dbraw/zinc/82/24/72/436822472.db2.gz GHBPVPLZJMMLEG-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000069499780 436776287 /nfs/dbraw/zinc/77/62/87/436776287.db2.gz WUXXBQDNRKYPGS-ZDUSSCGKSA-N 1 1 339.396 0.717 20 5 ECBDMO C[C@@H](C(N)=O)[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274035159 436794082 /nfs/dbraw/zinc/79/40/82/436794082.db2.gz MWFNXBIFTJXZPP-JTQLQIEISA-N 1 1 332.364 0.857 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249554294 436824310 /nfs/dbraw/zinc/82/43/10/436824310.db2.gz JELINYMERWYLSD-UXIGCNINSA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C(N)=O)C1 ZINC000249554294 436824313 /nfs/dbraw/zinc/82/43/13/436824313.db2.gz JELINYMERWYLSD-UXIGCNINSA-N 1 1 337.376 0.920 20 5 ECBDMO CC[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)CO ZINC000293480963 436881144 /nfs/dbraw/zinc/88/11/44/436881144.db2.gz RWFOSBNZFUNFMH-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO CC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H](C)CO ZINC000293480963 436881149 /nfs/dbraw/zinc/88/11/49/436881149.db2.gz RWFOSBNZFUNFMH-VIFPVBQESA-N 1 1 325.321 0.965 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000274896034 436889176 /nfs/dbraw/zinc/88/91/76/436889176.db2.gz NPQABJIVZZRPTG-CYBMUJFWSA-N 1 1 338.364 0.782 20 5 ECBDMO Cc1nn(C)c(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1[N+](=O)[O-] ZINC000161860849 436898454 /nfs/dbraw/zinc/89/84/54/436898454.db2.gz IUVLGMUEVKHKNO-LBPRGKRZSA-N 1 1 336.396 0.555 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000275460468 436971298 /nfs/dbraw/zinc/97/12/98/436971298.db2.gz YVDFXBQVAZUTNV-NEPJUHHUSA-N 1 1 336.392 0.846 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000275196305 436938385 /nfs/dbraw/zinc/93/83/85/436938385.db2.gz GQWBCUHKDXGJLF-WDEREUQCSA-N 1 1 325.369 0.013 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000263759039 436984903 /nfs/dbraw/zinc/98/49/03/436984903.db2.gz KSQHVTXFLADTJQ-UHFFFAOYSA-N 1 1 340.380 0.981 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275623230 436993060 /nfs/dbraw/zinc/99/30/60/436993060.db2.gz ITABKKXUFOBBOD-NSHDSACASA-N 1 1 329.378 0.594 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000275623230 436993062 /nfs/dbraw/zinc/99/30/62/436993062.db2.gz ITABKKXUFOBBOD-NSHDSACASA-N 1 1 329.378 0.594 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]3OCCN(C)[C@H]3C2)c1[N+](=O)[O-] ZINC000284705983 437064022 /nfs/dbraw/zinc/06/40/22/437064022.db2.gz KFFCVLKULJEUAJ-WDEREUQCSA-N 1 1 337.380 0.986 20 5 ECBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ncc[nH]1 ZINC000286030836 437087044 /nfs/dbraw/zinc/08/70/44/437087044.db2.gz JEIWTYOZQRSAGN-JTQLQIEISA-N 1 1 339.377 0.947 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CCO1 ZINC000301074267 437112221 /nfs/dbraw/zinc/11/22/21/437112221.db2.gz HWROCFUDPYJTNB-NSHDSACASA-N 1 1 349.391 0.778 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301936068 437135728 /nfs/dbraw/zinc/13/57/28/437135728.db2.gz RDZUDOIDRGTYEY-UHFFFAOYSA-N 1 1 333.352 0.260 20 5 ECBDMO CO[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000276919293 437176469 /nfs/dbraw/zinc/17/64/69/437176469.db2.gz RHLVCKVWXSUKOX-TUKIKUTGSA-N 1 1 326.349 0.680 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1C ZINC000319118839 437199403 /nfs/dbraw/zinc/19/94/03/437199403.db2.gz DDIIRSFTSUHQNR-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO Nc1c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc(F)cc1[N+](=O)[O-] ZINC000326910467 437234565 /nfs/dbraw/zinc/23/45/65/437234565.db2.gz NVNYQKQDPGLIOF-WDEREUQCSA-N 1 1 338.339 0.909 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000326758924 437235312 /nfs/dbraw/zinc/23/53/12/437235312.db2.gz NJJGFFUIEPPLTC-AWEZNQCLSA-N 1 1 335.364 0.792 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC000181380288 437317732 /nfs/dbraw/zinc/31/77/32/437317732.db2.gz VAZBECMTVWWAGN-HNNXBMFYSA-N 1 1 344.375 0.913 20 5 ECBDMO CNC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000267016569 437279903 /nfs/dbraw/zinc/27/99/03/437279903.db2.gz ABHVTKNHNVZDRY-UHFFFAOYSA-N 1 1 335.364 0.880 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000288267642 437301157 /nfs/dbraw/zinc/30/11/57/437301157.db2.gz GTFJZEXKWUHCFA-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000279150781 437379226 /nfs/dbraw/zinc/37/92/26/437379226.db2.gz ALWBTDNLWIFBGE-PHIMTYICSA-N 1 1 348.359 0.562 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1COC[C@@H]1OC ZINC000290216645 437471900 /nfs/dbraw/zinc/47/19/00/437471900.db2.gz VVGYZWFCMMXKAR-AAEUAGOBSA-N 1 1 325.321 0.545 20 5 ECBDMO COC[C@@H](C(N)=O)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339367922 437462477 /nfs/dbraw/zinc/46/24/77/437462477.db2.gz XCBXJLZANGFJHC-ZDUSSCGKSA-N 1 1 338.364 0.664 20 5 ECBDMO COC[C@@H](C(N)=O)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339367922 437462482 /nfs/dbraw/zinc/46/24/82/437462482.db2.gz XCBXJLZANGFJHC-ZDUSSCGKSA-N 1 1 338.364 0.664 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000354021889 437507041 /nfs/dbraw/zinc/50/70/41/437507041.db2.gz IKNAKUADVKUBSO-UHFFFAOYSA-N 1 1 336.348 0.388 20 5 ECBDMO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000187677176 437511998 /nfs/dbraw/zinc/51/19/98/437511998.db2.gz GBEMVHVKQROODH-HIFRSBDPSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187677176 437512005 /nfs/dbraw/zinc/51/20/05/437512005.db2.gz GBEMVHVKQROODH-HIFRSBDPSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCN1CCO ZINC000187677176 437512007 /nfs/dbraw/zinc/51/20/07/437512007.db2.gz GBEMVHVKQROODH-HIFRSBDPSA-N 1 1 339.392 0.333 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291790496 437627015 /nfs/dbraw/zinc/62/70/15/437627015.db2.gz MRMVRTLSROKOLY-IAGOWNOFSA-N 1 1 346.387 0.788 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C2)C1 ZINC000292329133 437680425 /nfs/dbraw/zinc/68/04/25/437680425.db2.gz PHEZCBGWSOWQBW-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192921807 437696891 /nfs/dbraw/zinc/69/68/91/437696891.db2.gz UFYSPMKMTSELER-BETUJISGSA-N 1 1 325.390 0.918 20 5 ECBDMO CCn1cc(S(=O)(=O)NCC[NH+]2CCCCC2)c([N+](=O)[O-])n1 ZINC000331240991 437723805 /nfs/dbraw/zinc/72/38/05/437723805.db2.gz XDSUZLMKGFSGNM-UHFFFAOYSA-N 1 1 331.398 0.575 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CCOC ZINC000356731346 437820870 /nfs/dbraw/zinc/82/08/70/437820870.db2.gz PBXWYQMQIIKOIP-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CCOC ZINC000356731346 437820874 /nfs/dbraw/zinc/82/08/74/437820874.db2.gz PBXWYQMQIIKOIP-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098154 437831773 /nfs/dbraw/zinc/83/17/73/437831773.db2.gz LKHFOBWIVBEIEB-LLVKDONJSA-N 1 1 339.396 0.970 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098154 437831781 /nfs/dbraw/zinc/83/17/81/437831781.db2.gz LKHFOBWIVBEIEB-LLVKDONJSA-N 1 1 339.396 0.970 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347098154 437831789 /nfs/dbraw/zinc/83/17/89/437831789.db2.gz LKHFOBWIVBEIEB-LLVKDONJSA-N 1 1 339.396 0.970 20 5 ECBDMO O=C1C[C@@]2(CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)CN1 ZINC000364981869 437840503 /nfs/dbraw/zinc/84/05/03/437840503.db2.gz KSWKPKCBWSRJSM-YOEHRIQHSA-N 1 1 344.371 0.912 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]2C1 ZINC000365520013 437927327 /nfs/dbraw/zinc/92/73/27/437927327.db2.gz WVEDSTVMLJLLIM-PHIMTYICSA-N 1 1 348.359 0.755 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000347677107 437929598 /nfs/dbraw/zinc/92/95/98/437929598.db2.gz YFIWXQMMKGYAJT-LBPRGKRZSA-N 1 1 338.412 0.330 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000416492644 437944068 /nfs/dbraw/zinc/94/40/68/437944068.db2.gz AQJCJVJEXFPSMK-JTQLQIEISA-N 1 1 329.378 0.833 20 5 ECBDMO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357452759 437991198 /nfs/dbraw/zinc/99/11/98/437991198.db2.gz ICGOPFLJIMCCMX-NSHDSACASA-N 1 1 336.396 0.527 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357684794 438044317 /nfs/dbraw/zinc/04/43/17/438044317.db2.gz LTLRQPIVHWMMRG-UHFFFAOYSA-N 1 1 345.363 0.903 20 5 ECBDMO C[C@@H](O)COC(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000366653651 438110116 /nfs/dbraw/zinc/11/01/16/438110116.db2.gz MTBVYNMGEFIWKE-VXGBXAGGSA-N 1 1 326.353 0.742 20 5 ECBDMO CN(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)S(C)(=O)=O ZINC000358275163 438192804 /nfs/dbraw/zinc/19/28/04/438192804.db2.gz NPIYFBKSVLAPLN-UHFFFAOYSA-N 1 1 331.398 0.147 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368059135 438282714 /nfs/dbraw/zinc/28/27/14/438282714.db2.gz XUBDWBJQBHDFQT-WCQYABFASA-N 1 1 332.360 0.910 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368059135 438282722 /nfs/dbraw/zinc/28/27/22/438282722.db2.gz XUBDWBJQBHDFQT-WCQYABFASA-N 1 1 332.360 0.910 20 5 ECBDMO C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CC3[N+](=O)[O-])CC2)nc1 ZINC000377673267 438322639 /nfs/dbraw/zinc/32/26/39/438322639.db2.gz XBRXBNXPJYOWAW-UONOGXRCSA-N 1 1 333.392 0.457 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000420637416 438417360 /nfs/dbraw/zinc/41/73/60/438417360.db2.gz OMTHJQJSFLDEJY-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@]1(CO)CCOC1 ZINC000359581287 438463043 /nfs/dbraw/zinc/46/30/43/438463043.db2.gz WRMXASHOBNUNSR-WFASDCNBSA-N 1 1 326.349 0.418 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](CCO)[C@H]2CCCSC2)c1 ZINC000439002364 438494710 /nfs/dbraw/zinc/49/47/10/438494710.db2.gz PLYYYYAIVNNZJT-WCQYABFASA-N 1 1 330.410 0.342 20 5 ECBDMO CNC(=O)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420967822 438454015 /nfs/dbraw/zinc/45/40/15/438454015.db2.gz ARJMIJFIKFBTGN-LBPRGKRZSA-N 1 1 332.360 0.552 20 5 ECBDMO CNC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000420967822 438454017 /nfs/dbraw/zinc/45/40/17/438454017.db2.gz ARJMIJFIKFBTGN-LBPRGKRZSA-N 1 1 332.360 0.552 20 5 ECBDMO CC[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000439159509 438501835 /nfs/dbraw/zinc/50/18/35/438501835.db2.gz JJRRNYYLFWALTD-NEPJUHHUSA-N 1 1 336.392 0.975 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000440047492 438529420 /nfs/dbraw/zinc/52/94/20/438529420.db2.gz GDXRANKYTSKSJB-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO CNc1nccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000553481154 438752812 /nfs/dbraw/zinc/75/28/12/438752812.db2.gz FWVQBBRTEYYINA-NSHDSACASA-N 1 1 337.380 0.730 20 5 ECBDMO Cn1c2cc(NC[C@H]3C[N@@H+](C)CCN3C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000587975206 438811026 /nfs/dbraw/zinc/81/10/26/438811026.db2.gz NAEUXRUAKJNCLC-NSHDSACASA-N 1 1 348.407 0.443 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304637 438829568 /nfs/dbraw/zinc/82/95/68/438829568.db2.gz LRMANPRAUQTUGH-GXFFZTMASA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000588304637 438829571 /nfs/dbraw/zinc/82/95/71/438829571.db2.gz LRMANPRAUQTUGH-GXFFZTMASA-N 1 1 346.343 0.424 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608415 438833749 /nfs/dbraw/zinc/83/37/49/438833749.db2.gz PGPQHHXDPDWIKS-ZIAGYGMSSA-N 1 1 347.375 0.948 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]2N1 ZINC000595742151 438855029 /nfs/dbraw/zinc/85/50/29/438855029.db2.gz OOLJOAUTZFFYLH-IVMMDQJWSA-N 1 1 349.387 0.935 20 5 ECBDMO O=C1[C@H]([N@@H+]2CCC(CO)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595805637 438865786 /nfs/dbraw/zinc/86/57/86/438865786.db2.gz JCEDJKSEWUEZBW-CQSZACIVSA-N 1 1 335.360 0.377 20 5 ECBDMO O=C1[C@H]([N@H+]2CCC(CO)(CO)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595805637 438865789 /nfs/dbraw/zinc/86/57/89/438865789.db2.gz JCEDJKSEWUEZBW-CQSZACIVSA-N 1 1 335.360 0.377 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000589928945 438893328 /nfs/dbraw/zinc/89/33/28/438893328.db2.gz IAALWVZKOPTMLS-GXFFZTMASA-N 1 1 341.389 0.928 20 5 ECBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596179877 438936693 /nfs/dbraw/zinc/93/66/93/438936693.db2.gz UYFYORSLENWNAR-NXEZZACHSA-N 1 1 328.394 0.771 20 5 ECBDMO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000517031555 438948386 /nfs/dbraw/zinc/94/83/86/438948386.db2.gz PEOKDSVKQIOOFZ-SNVBAGLBSA-N 1 1 342.359 0.988 20 5 ECBDMO COCCOCC[NH+]1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596291607 438950712 /nfs/dbraw/zinc/95/07/12/438950712.db2.gz LOGONAXDYNYCCJ-UHFFFAOYSA-N 1 1 325.369 0.357 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537891 438973594 /nfs/dbraw/zinc/97/35/94/438973594.db2.gz JHTAKDFVIXGICT-GFCCVEGCSA-N 1 1 335.364 0.124 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@](O)(CO)C2)c1 ZINC000459652094 438984965 /nfs/dbraw/zinc/98/49/65/438984965.db2.gz QBQQNWBPJIQAQE-DZGCQCFKSA-N 1 1 326.349 0.154 20 5 ECBDMO COc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709248 438990042 /nfs/dbraw/zinc/99/00/42/438990042.db2.gz PFXVDQRDAINCAF-MWLCHTKSSA-N 1 1 348.302 0.990 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709248 438990047 /nfs/dbraw/zinc/99/00/47/438990047.db2.gz PFXVDQRDAINCAF-MWLCHTKSSA-N 1 1 348.302 0.990 20 5 ECBDMO CNc1ccc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000520765007 439094495 /nfs/dbraw/zinc/09/44/95/439094495.db2.gz RGAPJNBPJQKEJX-CYBMUJFWSA-N 1 1 349.391 0.706 20 5 ECBDMO CN(CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000602989681 439177199 /nfs/dbraw/zinc/17/71/99/439177199.db2.gz ZCLKCWQZOFCKSC-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807090 439201647 /nfs/dbraw/zinc/20/16/47/439201647.db2.gz OFJQPRZBTHXYTF-ZJUUUORDSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@@H]1[C@H](CO)CC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000488807090 439201651 /nfs/dbraw/zinc/20/16/51/439201651.db2.gz OFJQPRZBTHXYTF-ZJUUUORDSA-N 1 1 337.332 0.965 20 5 ECBDMO C[C@H]1C[N@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000598000474 439211381 /nfs/dbraw/zinc/21/13/81/439211381.db2.gz VCRBUQMABCKNQG-RYUDHWBXSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@H]1C[N@@H+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)CO1 ZINC000598000474 439211384 /nfs/dbraw/zinc/21/13/84/439211384.db2.gz VCRBUQMABCKNQG-RYUDHWBXSA-N 1 1 325.369 0.407 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000597996077 439211700 /nfs/dbraw/zinc/21/17/00/439211700.db2.gz HZQVJLBRALXGCF-NEPJUHHUSA-N 1 1 339.396 0.715 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000597996077 439211702 /nfs/dbraw/zinc/21/17/02/439211702.db2.gz HZQVJLBRALXGCF-NEPJUHHUSA-N 1 1 339.396 0.715 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)CN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000569235239 439315717 /nfs/dbraw/zinc/31/57/17/439315717.db2.gz RXBXPQVWVLZOJR-HNNXBMFYSA-N 1 1 339.392 0.728 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000598904362 439325718 /nfs/dbraw/zinc/32/57/18/439325718.db2.gz FJITXFXSXPBFBB-TXEJJXNPSA-N 1 1 347.375 0.736 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000592998708 439330818 /nfs/dbraw/zinc/33/08/18/439330818.db2.gz FEMUIWOLDMDBNJ-CABCVRRESA-N 1 1 337.376 0.085 20 5 ECBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000593060586 439335210 /nfs/dbraw/zinc/33/52/10/439335210.db2.gz CPLUGDNJBSBCOO-MJBXVCDLSA-N 1 1 326.349 0.416 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598609503 439286513 /nfs/dbraw/zinc/28/65/13/439286513.db2.gz YZEXBSOYFBRVND-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000604267961 439305087 /nfs/dbraw/zinc/30/50/87/439305087.db2.gz JIPWSZBQJGEBRZ-WCQYABFASA-N 1 1 334.376 0.924 20 5 ECBDMO Cn1c2cc(NCC[N@H+]3CC[C@H](O)C3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000599199869 439380337 /nfs/dbraw/zinc/38/03/37/439380337.db2.gz VDWBXKYXSBDVFK-JTQLQIEISA-N 1 1 335.364 0.264 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245637 439397833 /nfs/dbraw/zinc/39/78/33/439397833.db2.gz VOOVPKPQBRFCNG-NXEZZACHSA-N 1 1 331.398 0.289 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027057 439510208 /nfs/dbraw/zinc/51/02/08/439510208.db2.gz LARFDEZFINTTIA-RWMBFGLXSA-N 1 1 334.376 0.673 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027425 439510551 /nfs/dbraw/zinc/51/05/51/439510551.db2.gz OQDYOLLDFTYUDP-QWHCGFSZSA-N 1 1 334.376 0.593 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3C[C@@H](CO)[C@H](CO)C3)n2)cc1 ZINC000599531103 439498950 /nfs/dbraw/zinc/49/89/50/439498950.db2.gz IMULYJHCXCQBPG-RYUDHWBXSA-N 1 1 334.332 0.677 20 5 ECBDMO O=c1ccc([C@H]2CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599642926 439524829 /nfs/dbraw/zinc/52/48/29/439524829.db2.gz XOKDVTUEFMWCAB-WCQYABFASA-N 1 1 334.336 0.485 20 5 ECBDMO O=c1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599642925 439525320 /nfs/dbraw/zinc/52/53/20/439525320.db2.gz XOKDVTUEFMWCAB-DGCLKSJQSA-N 1 1 334.336 0.485 20 5 ECBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393745 439553765 /nfs/dbraw/zinc/55/37/65/439553765.db2.gz OTSVPBMAKNIYIX-QWHCGFSZSA-N 1 1 335.360 0.641 20 5 ECBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000609442901 439570161 /nfs/dbraw/zinc/57/01/61/439570161.db2.gz UFRMFNUUDZJEKB-LLVKDONJSA-N 1 1 330.348 1.000 20 5 ECBDMO [NH3+][C@@H]1CCC[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594582745 439579897 /nfs/dbraw/zinc/57/98/97/439579897.db2.gz BETRFRJDIUCMLP-NEPJUHHUSA-N 1 1 342.421 0.733 20 5 ECBDMO CN1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1=O ZINC000572682261 439601098 /nfs/dbraw/zinc/60/10/98/439601098.db2.gz KGEJNYFHOSCEPG-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCOCC3)CC2)n1 ZINC000600109343 439613295 /nfs/dbraw/zinc/61/32/95/439613295.db2.gz ZKKVMLLEAGOEBN-UHFFFAOYSA-N 1 1 337.380 0.748 20 5 ECBDMO Nc1nccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600108240 439614275 /nfs/dbraw/zinc/61/42/75/439614275.db2.gz QGKVQQQWJDOBRK-UHFFFAOYSA-N 1 1 335.364 0.509 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[N@H+](C)CCO1 ZINC000610912396 439658399 /nfs/dbraw/zinc/65/83/99/439658399.db2.gz FDRIZUGAULYIQO-XPTSAGLGSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1C[N@@H+](C)CCO1 ZINC000610912396 439658403 /nfs/dbraw/zinc/65/84/03/439658403.db2.gz FDRIZUGAULYIQO-XPTSAGLGSA-N 1 1 337.332 0.772 20 5 ECBDMO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)S(C)(=O)=O ZINC000611084715 439671166 /nfs/dbraw/zinc/67/11/66/439671166.db2.gz NDZZMHGZIBDFMP-SECBINFHSA-N 1 1 330.362 0.889 20 5 ECBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808210 439704087 /nfs/dbraw/zinc/70/40/87/439704087.db2.gz MQWSKIOUZSDDSU-AWEZNQCLSA-N 1 1 332.360 0.732 20 5 ECBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])C1 ZINC000595357031 439712708 /nfs/dbraw/zinc/71/27/08/439712708.db2.gz WOGWSSCVUJILJP-SNVBAGLBSA-N 1 1 331.398 0.574 20 5 ECBDMO Cc1noc(C[NH+]2CCC(C(=O)N3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000595286069 439691010 /nfs/dbraw/zinc/69/10/10/439691010.db2.gz BSQWXGDLKPZEJZ-UHFFFAOYSA-N 1 1 338.364 0.962 20 5 ECBDMO CC1(C)CN(C(=O)CNc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000614894973 439789922 /nfs/dbraw/zinc/78/99/22/439789922.db2.gz MFKRLBHKISGKTC-UHFFFAOYSA-N 1 1 336.392 0.922 20 5 ECBDMO CNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672792 321196236 /nfs/dbraw/zinc/19/62/36/321196236.db2.gz SIYYAARKMPHLBS-UWVGGRQHSA-N 1 1 336.352 0.320 20 5 ECBDMO CNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000345672792 321196238 /nfs/dbraw/zinc/19/62/38/321196238.db2.gz SIYYAARKMPHLBS-UWVGGRQHSA-N 1 1 336.352 0.320 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000350782318 321330219 /nfs/dbraw/zinc/33/02/19/321330219.db2.gz WSPFCOXLXQOGOL-CYBMUJFWSA-N 1 1 344.389 0.897 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)c1 ZINC000619873742 546376133 /nfs/dbraw/zinc/37/61/33/546376133.db2.gz TWRVUPLIAVBLJM-GFCCVEGCSA-N 1 1 334.376 0.723 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000726163898 578138604 /nfs/dbraw/zinc/13/86/04/578138604.db2.gz OQPBYZYLYHBJBR-QWRGUYRKSA-N 1 1 349.343 0.917 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000736146883 578411082 /nfs/dbraw/zinc/41/10/82/578411082.db2.gz KFVBHHWOYXMMMT-SNVBAGLBSA-N 1 1 333.352 0.278 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794982308 578602438 /nfs/dbraw/zinc/60/24/38/578602438.db2.gz IBMGMMBLUZALNM-SPWCGHHHSA-N 1 1 336.344 0.685 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000797414778 578633790 /nfs/dbraw/zinc/63/37/90/578633790.db2.gz PDBHODWJMGRGIG-HNNXBMFYSA-N 1 1 334.332 0.918 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1 ZINC000797414778 578633791 /nfs/dbraw/zinc/63/37/91/578633791.db2.gz PDBHODWJMGRGIG-HNNXBMFYSA-N 1 1 334.332 0.918 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000780372458 578692510 /nfs/dbraw/zinc/69/25/10/578692510.db2.gz FYUVBWRDMVMTFZ-NSHDSACASA-N 1 1 326.353 0.842 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000787508858 578808586 /nfs/dbraw/zinc/80/85/86/578808586.db2.gz OMLJHFFWDCMDNK-UHFFFAOYSA-N 1 1 335.360 0.907 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000788964643 578846169 /nfs/dbraw/zinc/84/61/69/578846169.db2.gz IYYJOZOKWRHRHK-UHFFFAOYSA-N 1 1 346.361 0.281 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccc(C(N)=O)c1 ZINC000761655379 579530502 /nfs/dbraw/zinc/53/05/02/579530502.db2.gz COEFCAHGLSKPJB-UHFFFAOYSA-N 1 1 330.344 0.987 20 5 ECBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2nn[nH]n2)c1 ZINC000738373500 579624978 /nfs/dbraw/zinc/62/49/78/579624978.db2.gz DWCXUFACBKJVSU-GXSJLCMTSA-N 1 1 346.351 0.445 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000903013867 586766541 /nfs/dbraw/zinc/76/65/41/586766541.db2.gz NNMIUESTNFFNFO-BZNIZROVSA-N 1 1 332.360 0.943 20 5 ECBDMO C[C@H](C[NH+]1CCN(C)CC1)NC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994403 587847488 /nfs/dbraw/zinc/84/74/88/587847488.db2.gz RXSHLZCJMHZSNP-LLVKDONJSA-N 1 1 336.396 0.934 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000825745961 587958878 /nfs/dbraw/zinc/95/88/78/587958878.db2.gz AIXOABBOVBKJPV-ARFHVFGLSA-N 1 1 349.387 0.686 20 5 ECBDMO O=C1OCCN1c1cc([N+](=O)[O-])ccc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766786 589310248 /nfs/dbraw/zinc/31/02/48/589310248.db2.gz YFTCRUVEDOLTSU-QWHCGFSZSA-N 1 1 348.359 0.807 20 5 ECBDMO COC(=O)[C@]12C[N@@H+](Cc3onc(C)c3[N+](=O)[O-])C[C@H]1COCC2 ZINC000852001299 589437520 /nfs/dbraw/zinc/43/75/20/589437520.db2.gz HSUADFCBSUXJEM-IINYFYTJSA-N 1 1 325.321 0.903 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856257306 589658339 /nfs/dbraw/zinc/65/83/39/589658339.db2.gz UXOBABVDSRCYCY-HZPDHXFCSA-N 1 1 349.387 0.686 20 5 ECBDMO Cc1cc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1F ZINC000858629241 589762200 /nfs/dbraw/zinc/76/22/00/589762200.db2.gz YMSNSUYNXPLBAP-SECBINFHSA-N 1 1 333.341 0.309 20 5 ECBDMO Cc1cc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000861710208 589877573 /nfs/dbraw/zinc/87/75/73/589877573.db2.gz AOJKHTUOKSLLLU-NWDGAFQWSA-N 1 1 334.376 0.767 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863831055 590041891 /nfs/dbraw/zinc/04/18/91/590041891.db2.gz FXYYIPOQOQGIFD-JTQLQIEISA-N 1 1 327.312 0.296 20 5 ECBDMO C[N@H+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](CO)C1 ZINC000879002576 590557071 /nfs/dbraw/zinc/55/70/71/590557071.db2.gz WJZRUGPGJBAPRA-LBPRGKRZSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](CO)C1 ZINC000879002576 590557073 /nfs/dbraw/zinc/55/70/73/590557073.db2.gz WJZRUGPGJBAPRA-LBPRGKRZSA-N 1 1 340.355 0.671 20 5 ECBDMO CN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](CO)C1 ZINC000879002576 590557074 /nfs/dbraw/zinc/55/70/74/590557074.db2.gz WJZRUGPGJBAPRA-LBPRGKRZSA-N 1 1 340.355 0.671 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CC[NH+](CC[N+](=O)[O-])CC2)C1 ZINC000930845064 609127413 /nfs/dbraw/zinc/12/74/13/609127413.db2.gz FVFIMLHHEWCMMV-GFCCVEGCSA-N 1 1 341.408 0.918 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054856 609697315 /nfs/dbraw/zinc/69/73/15/609697315.db2.gz KNJDQDUPPAOCSF-RYUDHWBXSA-N 1 1 325.369 0.612 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000921054856 609697316 /nfs/dbraw/zinc/69/73/16/609697316.db2.gz KNJDQDUPPAOCSF-RYUDHWBXSA-N 1 1 325.369 0.612 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000919519663 610047410 /nfs/dbraw/zinc/04/74/10/610047410.db2.gz QYIZTDYWXGGKJY-NSHDSACASA-N 1 1 327.341 0.086 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)n1 ZINC000858606617 611325059 /nfs/dbraw/zinc/32/50/59/611325059.db2.gz GEMQNFIUQCKOML-UHFFFAOYSA-N 1 1 339.377 0.308 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1cnon1 ZINC001026115877 740387117 /nfs/dbraw/zinc/38/71/17/740387117.db2.gz AKTSUKPSZNMURS-IMRBUKKESA-N 1 1 329.316 0.838 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21)c1cnon1 ZINC001026115877 740387121 /nfs/dbraw/zinc/38/71/21/740387121.db2.gz AKTSUKPSZNMURS-IMRBUKKESA-N 1 1 329.316 0.838 20 5 ECBDMO COc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997770954 743800787 /nfs/dbraw/zinc/80/07/87/743800787.db2.gz DDTZZNFXJGPTBM-ZIAGYGMSSA-N 1 1 349.391 0.479 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2ccn[nH]2)CC1 ZINC001001213087 746166230 /nfs/dbraw/zinc/16/62/30/746166230.db2.gz PRHFNUBMSOQCNQ-UHFFFAOYSA-N 1 1 347.379 0.693 20 5 ECBDMO Cc1nnc(CN(C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)o1 ZINC001029964282 750112551 /nfs/dbraw/zinc/11/25/51/750112551.db2.gz CTSGZZRUEMATRB-CHWSQXEVSA-N 1 1 337.380 0.714 20 5 ECBDMO CCN(Cc1ccccc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126942592 756898244 /nfs/dbraw/zinc/89/82/44/756898244.db2.gz CDJXTBFNYLIEEW-HUUCEWRRSA-N 1 1 348.403 0.406 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC000996429964 757659381 /nfs/dbraw/zinc/65/93/81/757659381.db2.gz XMADJMXIZSICGN-CHWSQXEVSA-N 1 1 341.799 0.782 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)F)C[C@H]2C1 ZINC001048640431 760837658 /nfs/dbraw/zinc/83/76/58/760837658.db2.gz BBESWFMHXXEEFT-PHIMTYICSA-N 1 1 339.371 0.967 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)F)C[C@H]2C1 ZINC001048640431 760837668 /nfs/dbraw/zinc/83/76/68/760837668.db2.gz BBESWFMHXXEEFT-PHIMTYICSA-N 1 1 339.371 0.967 20 5 ECBDMO COc1cc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)sn1 ZINC001127613098 767180996 /nfs/dbraw/zinc/18/09/96/767180996.db2.gz PLKMVZFUBZGRSQ-UHFFFAOYSA-N 1 1 340.365 0.313 20 5 ECBDMO CC[N@H+](CCNC(=O)Cn1cncn1)Cc1ccccc1[N+](=O)[O-] ZINC001266434765 835839251 /nfs/dbraw/zinc/83/92/51/835839251.db2.gz NDBGEPITCRGNQC-UHFFFAOYSA-N 1 1 332.364 0.825 20 5 ECBDMO CC[N@@H+](CCNC(=O)Cn1cncn1)Cc1ccccc1[N+](=O)[O-] ZINC001266434765 835839256 /nfs/dbraw/zinc/83/92/56/835839256.db2.gz NDBGEPITCRGNQC-UHFFFAOYSA-N 1 1 332.364 0.825 20 5 ECBDMO O=C(CC[NH+]1CCOCC1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001267662634 838185043 /nfs/dbraw/zinc/18/50/43/838185043.db2.gz ZSCCTKMDYGQKTN-UHFFFAOYSA-N 1 1 348.403 0.618 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ccccc3O)CC2)c1 ZINC000174648858 231269347 /nfs/dbraw/zinc/26/93/47/231269347.db2.gz APXDMFVQUAPJOF-AWEZNQCLSA-N 1 1 347.375 0.680 20 5 ECBDMO Cc1cnn([C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000174785866 231309947 /nfs/dbraw/zinc/30/99/47/231309947.db2.gz ZJNMPWZMHVLEGE-HIFRSBDPSA-N 1 1 334.380 0.994 20 5 ECBDMO C[N@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000098077804 219080402 /nfs/dbraw/zinc/08/04/02/219080402.db2.gz PGKGCFCROWBERO-UHFFFAOYSA-N 1 1 330.348 0.953 20 5 ECBDMO C[C@@H]([NH3+])C[C@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977582 296021020 /nfs/dbraw/zinc/02/10/20/296021020.db2.gz FWLPFNOYUAXRCC-MNOVXSKESA-N 1 1 330.410 0.589 20 5 ECBDMO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1C[C@H](C)O ZINC000246989585 243349589 /nfs/dbraw/zinc/34/95/89/243349589.db2.gz UZCAAWCSOZELPC-WCQYABFASA-N 1 1 339.396 0.403 20 5 ECBDMO COCCOC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557172 211329438 /nfs/dbraw/zinc/32/94/38/211329438.db2.gz BMUGWWFLPCNKSD-GXTWGEPZSA-N 1 1 340.380 0.500 20 5 ECBDMO O=C1NC[C@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663030 251234333 /nfs/dbraw/zinc/23/43/33/251234333.db2.gz NFKOMWTYVRTJTJ-STQMWFEESA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663030 251234336 /nfs/dbraw/zinc/23/43/36/251234336.db2.gz NFKOMWTYVRTJTJ-STQMWFEESA-N 1 1 336.348 0.044 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411953467 208178068 /nfs/dbraw/zinc/17/80/68/208178068.db2.gz UGYVYTPFHHQVTI-ARFHVFGLSA-N 1 1 332.360 0.960 20 5 ECBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000411958688 208178320 /nfs/dbraw/zinc/17/83/20/208178320.db2.gz CJCMPSZZBCLQIC-INIZCTEOSA-N 1 1 329.360 0.920 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000117296534 221048199 /nfs/dbraw/zinc/04/81/99/221048199.db2.gz JIXJRWDYIVZCHE-LLVKDONJSA-N 1 1 325.369 0.279 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C[C@H]1C ZINC000117296534 221048202 /nfs/dbraw/zinc/04/82/02/221048202.db2.gz JIXJRWDYIVZCHE-LLVKDONJSA-N 1 1 325.369 0.279 20 5 ECBDMO Cc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080896195 296625939 /nfs/dbraw/zinc/62/59/39/296625939.db2.gz JHZIHVOEMOFKEZ-INIZCTEOSA-N 1 1 337.376 0.716 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255165222 296741291 /nfs/dbraw/zinc/74/12/91/296741291.db2.gz KTZWYBUGZFGZMX-WAYWQWQTSA-N 1 1 346.387 0.888 20 5 ECBDMO COCCOC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247352808 165161220 /nfs/dbraw/zinc/16/12/20/165161220.db2.gz GVBKDXHJAPWAFF-TZMCWYRMSA-N 1 1 328.369 0.137 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000189343438 437593459 /nfs/dbraw/zinc/59/34/59/437593459.db2.gz VCXZNUQSRBXGTJ-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCOC ZINC000123386375 222269287 /nfs/dbraw/zinc/26/92/87/222269287.db2.gz XXOBUJBDKYQBOE-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCOC ZINC000123386375 222269289 /nfs/dbraw/zinc/26/92/89/222269289.db2.gz XXOBUJBDKYQBOE-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1n1ccnc1 ZINC000269692044 263197570 /nfs/dbraw/zinc/19/75/70/263197570.db2.gz ILKISNMCIPXVRX-SNPRPXQTSA-N 1 1 334.380 0.932 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000270447344 263243262 /nfs/dbraw/zinc/24/32/62/263243262.db2.gz SWFWXLOEEIEDBH-AWEZNQCLSA-N 1 1 345.403 0.981 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270843455 263278522 /nfs/dbraw/zinc/27/85/22/263278522.db2.gz WDKZPQCAOYVPJU-TXEJJXNPSA-N 1 1 339.396 0.948 20 5 ECBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000271002917 263292322 /nfs/dbraw/zinc/29/23/22/263292322.db2.gz GAKKWUKDZWBZRX-NSHDSACASA-N 1 1 338.364 0.662 20 5 ECBDMO COC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(OC)OC ZINC000274288718 263455682 /nfs/dbraw/zinc/45/56/82/263455682.db2.gz GCBWJZRNWFWCJG-UHFFFAOYSA-N 1 1 330.341 0.275 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000283117455 264084668 /nfs/dbraw/zinc/08/46/68/264084668.db2.gz MTCSUNACTARFGH-UHFFFAOYSA-N 1 1 326.328 0.768 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000283117455 264084670 /nfs/dbraw/zinc/08/46/70/264084670.db2.gz MTCSUNACTARFGH-UHFFFAOYSA-N 1 1 326.328 0.768 20 5 ECBDMO C[N@@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285156423 264285888 /nfs/dbraw/zinc/28/58/88/264285888.db2.gz SXQNGHAWJXCJAE-KGLIPLIRSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285156423 264285892 /nfs/dbraw/zinc/28/58/92/264285892.db2.gz SXQNGHAWJXCJAE-KGLIPLIRSA-N 1 1 341.389 0.688 20 5 ECBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[N@H+](C)C1 ZINC000285165979 264286747 /nfs/dbraw/zinc/28/67/47/264286747.db2.gz UCYMXTIAWOUNHT-STQMWFEESA-N 1 1 343.405 0.934 20 5 ECBDMO CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000285165979 264286749 /nfs/dbraw/zinc/28/67/49/264286749.db2.gz UCYMXTIAWOUNHT-STQMWFEESA-N 1 1 343.405 0.934 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285436584 264312277 /nfs/dbraw/zinc/31/22/77/264312277.db2.gz LWFFVEIFLAGSNE-AOOOYVTPSA-N 1 1 325.369 0.936 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285436584 264312279 /nfs/dbraw/zinc/31/22/79/264312279.db2.gz LWFFVEIFLAGSNE-AOOOYVTPSA-N 1 1 325.369 0.936 20 5 ECBDMO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])C1 ZINC000286253987 264384386 /nfs/dbraw/zinc/38/43/86/264384386.db2.gz FGFYFFNZBFKLBM-RYUDHWBXSA-N 1 1 337.380 0.952 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000490050103 276300637 /nfs/dbraw/zinc/30/06/37/276300637.db2.gz ZPZSEFSZUBYBJP-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000490050103 276300640 /nfs/dbraw/zinc/30/06/40/276300640.db2.gz ZPZSEFSZUBYBJP-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104598759 293395307 /nfs/dbraw/zinc/39/53/07/293395307.db2.gz DYJUCAVXXJZFGQ-NWDGAFQWSA-N 1 1 339.396 0.715 20 5 ECBDMO CN1CCC([NH+]2CCC(NC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC000332149578 297008734 /nfs/dbraw/zinc/00/87/34/297008734.db2.gz PVLPENKYWZILOM-UHFFFAOYSA-N 1 1 336.396 0.606 20 5 ECBDMO C[C@H]1C[N@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344372344 298011563 /nfs/dbraw/zinc/01/15/63/298011563.db2.gz YSNYZGFTSNBVFU-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000344372344 298011564 /nfs/dbraw/zinc/01/15/64/298011564.db2.gz YSNYZGFTSNBVFU-LBPRGKRZSA-N 1 1 334.376 0.877 20 5 ECBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000344466997 298024953 /nfs/dbraw/zinc/02/49/53/298024953.db2.gz XXVYCUXLOUONPO-UHFFFAOYSA-N 1 1 332.364 0.954 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000345021141 298108364 /nfs/dbraw/zinc/10/83/64/298108364.db2.gz UQXMAUYKAJOUMX-MRXNPFEDSA-N 1 1 337.376 0.855 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccnn1C ZINC000346769052 298338868 /nfs/dbraw/zinc/33/88/68/298338868.db2.gz OKJQDEQRTRQOQC-ZANVPECISA-N 1 1 333.352 0.123 20 5 ECBDMO COc1cc(C[NH2+]C[C@H]2CCCS2(=O)=O)c([N+](=O)[O-])cc1O ZINC000360274889 299963574 /nfs/dbraw/zinc/96/35/74/299963574.db2.gz NIWMKMDWRRRWCE-SNVBAGLBSA-N 1 1 330.362 0.976 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000364203305 300335275 /nfs/dbraw/zinc/33/52/75/300335275.db2.gz WHXZHBWPHXYNHZ-LBPRGKRZSA-N 1 1 339.396 0.405 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)Cn3cccn3)C2)nc1 ZINC000072665159 436052728 /nfs/dbraw/zinc/05/27/28/436052728.db2.gz AXSFKCUTNSSZGP-JSGCOSHPSA-N 1 1 332.364 0.734 20 5 ECBDMO O=C1C[C@@]2(CN1)CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000072833663 436058357 /nfs/dbraw/zinc/05/83/57/436058357.db2.gz FYWQPLYWTBVBOI-WMLDXEAASA-N 1 1 349.387 0.937 20 5 ECBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCO)CC1 ZINC000078314386 436264529 /nfs/dbraw/zinc/26/45/29/436264529.db2.gz ZFGFEQJSORRHBW-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO O=C(CN1CC[NH+](CCO)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000078606451 436273119 /nfs/dbraw/zinc/27/31/19/436273119.db2.gz QOKXJMMDEHNIQS-UHFFFAOYSA-N 1 1 334.376 0.094 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052672862 436514350 /nfs/dbraw/zinc/51/43/50/436514350.db2.gz XGALOYHJNBXITP-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000052672862 436514354 /nfs/dbraw/zinc/51/43/54/436514354.db2.gz XGALOYHJNBXITP-LBPRGKRZSA-N 1 1 343.405 0.987 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000050784410 436478470 /nfs/dbraw/zinc/47/84/70/436478470.db2.gz IXVRJFAUAOGFEO-GXFFZTMASA-N 1 1 346.343 0.424 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000050784410 436478475 /nfs/dbraw/zinc/47/84/75/436478475.db2.gz IXVRJFAUAOGFEO-GXFFZTMASA-N 1 1 346.343 0.424 20 5 ECBDMO C[C@H]1C[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000137532940 436659040 /nfs/dbraw/zinc/65/90/40/436659040.db2.gz FNKRCMODMPUADH-JSGCOSHPSA-N 1 1 344.375 0.966 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000271473486 436690733 /nfs/dbraw/zinc/69/07/33/436690733.db2.gz ZFHVHEXMBHIEIE-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000271473486 436690736 /nfs/dbraw/zinc/69/07/36/436690736.db2.gz ZFHVHEXMBHIEIE-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000066808921 436696330 /nfs/dbraw/zinc/69/63/30/436696330.db2.gz QVHXRGFFMCGAPB-UHFFFAOYSA-N 1 1 333.392 0.980 20 5 ECBDMO NS(=O)(=O)c1ccc(N2CCC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000142905591 436673811 /nfs/dbraw/zinc/67/38/11/436673811.db2.gz KFFIJJYPMCQUKC-LLVKDONJSA-N 1 1 340.405 0.917 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000067711338 436720758 /nfs/dbraw/zinc/72/07/58/436720758.db2.gz VZLYDKHUZLLSOF-SECBINFHSA-N 1 1 326.378 0.891 20 5 ECBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000156703249 436819049 /nfs/dbraw/zinc/81/90/49/436819049.db2.gz OANOYENRKARVEH-UHFFFAOYSA-N 1 1 328.292 0.714 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000156919335 436821977 /nfs/dbraw/zinc/82/19/77/436821977.db2.gz WKVMEDAIRFOUST-OLZOCXBDSA-N 1 1 340.380 0.958 20 5 ECBDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000156919335 436821979 /nfs/dbraw/zinc/82/19/79/436821979.db2.gz WKVMEDAIRFOUST-OLZOCXBDSA-N 1 1 340.380 0.958 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000247324438 436792345 /nfs/dbraw/zinc/79/23/45/436792345.db2.gz WLKXVEGLVRZANR-FRRDWIJNSA-N 1 1 328.394 0.359 20 5 ECBDMO C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293357062 436869542 /nfs/dbraw/zinc/86/95/42/436869542.db2.gz OCQKLDMOOFSRTE-HZPDHXFCSA-N 1 1 334.376 0.688 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000251851555 436829019 /nfs/dbraw/zinc/82/90/19/436829019.db2.gz QGQQOZTUCVQHCV-QWRGUYRKSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000251851555 436829021 /nfs/dbraw/zinc/82/90/21/436829021.db2.gz QGQQOZTUCVQHCV-QWRGUYRKSA-N 1 1 347.375 0.998 20 5 ECBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000280818454 436923545 /nfs/dbraw/zinc/92/35/45/436923545.db2.gz XTHKGAVIVPASCU-UHFFFAOYSA-N 1 1 338.412 0.720 20 5 ECBDMO COC[C@H](O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817392 436877400 /nfs/dbraw/zinc/87/74/00/436877400.db2.gz JCQZCIVSIDATNT-CYBMUJFWSA-N 1 1 349.391 0.991 20 5 ECBDMO CCCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1[N+](=O)[O-] ZINC000295295980 436964734 /nfs/dbraw/zinc/96/47/34/436964734.db2.gz AQZYUSFSQBIYKI-NSHDSACASA-N 1 1 339.396 0.847 20 5 ECBDMO CNC(=O)[C@@]1(C)CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000281067514 436943409 /nfs/dbraw/zinc/94/34/09/436943409.db2.gz KORWMVLIFJMGIJ-LRDDRELGSA-N 1 1 337.376 0.793 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264445374 437030310 /nfs/dbraw/zinc/03/03/10/437030310.db2.gz CELCPDQKOBNBJE-AWEZNQCLSA-N 1 1 334.376 0.593 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000281670525 436988288 /nfs/dbraw/zinc/98/82/88/436988288.db2.gz DGKBLGKQZOZAOB-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000263911043 437001139 /nfs/dbraw/zinc/00/11/39/437001139.db2.gz KRFOQTKLNRRVGZ-SNVBAGLBSA-N 1 1 338.364 0.998 20 5 ECBDMO CNC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000263911043 437001142 /nfs/dbraw/zinc/00/11/42/437001142.db2.gz KRFOQTKLNRRVGZ-SNVBAGLBSA-N 1 1 338.364 0.998 20 5 ECBDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CO ZINC000282098522 437009716 /nfs/dbraw/zinc/00/97/16/437009716.db2.gz PBMBTUUWGVRALI-RYUDHWBXSA-N 1 1 325.365 0.987 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264501481 437038438 /nfs/dbraw/zinc/03/84/38/437038438.db2.gz KKWVTVLNOUEMSK-SECBINFHSA-N 1 1 326.378 0.726 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264586398 437050406 /nfs/dbraw/zinc/05/04/06/437050406.db2.gz VJERUJXFUIDKKP-GFCCVEGCSA-N 1 1 335.364 0.247 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264792852 437085182 /nfs/dbraw/zinc/08/51/82/437085182.db2.gz UYHDZKIWNCYHOZ-ZDUSSCGKSA-N 1 1 335.408 0.636 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264792850 437085450 /nfs/dbraw/zinc/08/54/50/437085450.db2.gz UYHDZKIWNCYHOZ-CYBMUJFWSA-N 1 1 335.408 0.636 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274104 437081876 /nfs/dbraw/zinc/08/18/76/437081876.db2.gz ZRWPUJLVXGCNDN-QWRGUYRKSA-N 1 1 341.364 0.606 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000276274104 437081879 /nfs/dbraw/zinc/08/18/79/437081879.db2.gz ZRWPUJLVXGCNDN-QWRGUYRKSA-N 1 1 341.364 0.606 20 5 ECBDMO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ncc[nH]1 ZINC000286171753 437088662 /nfs/dbraw/zinc/08/86/62/437088662.db2.gz QJKQWLYWKCKZFA-SNVBAGLBSA-N 1 1 339.377 0.947 20 5 ECBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CN1CC[NH+](C)CC1 ZINC000176665303 437152047 /nfs/dbraw/zinc/15/20/47/437152047.db2.gz WBTTXMUQVHPLAN-GFCCVEGCSA-N 1 1 335.408 0.790 20 5 ECBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305695890 437161790 /nfs/dbraw/zinc/16/17/90/437161790.db2.gz RWHZIGKHXSBAMQ-DZGCQCFKSA-N 1 1 348.407 0.840 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](O)(C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000276510746 437119570 /nfs/dbraw/zinc/11/95/70/437119570.db2.gz ZQZWKQANOFUTJX-HNNXBMFYSA-N 1 1 336.348 0.154 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000324879569 437229304 /nfs/dbraw/zinc/22/93/04/437229304.db2.gz DINPEFPUWIEBMB-SNVBAGLBSA-N 1 1 332.364 0.901 20 5 ECBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267113680 437291921 /nfs/dbraw/zinc/29/19/21/437291921.db2.gz YFTXXUCWQWVPIY-QWHCGFSZSA-N 1 1 339.396 0.654 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000268028130 437356786 /nfs/dbraw/zinc/35/67/86/437356786.db2.gz UDGVDASFIUTDCM-BETUJISGSA-N 1 1 339.396 0.797 20 5 ECBDMO Cc1cccc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000186700511 437481779 /nfs/dbraw/zinc/48/17/79/437481779.db2.gz ZJHKUYUSRAMFDL-CYBMUJFWSA-N 1 1 346.387 0.940 20 5 ECBDMO CCC1(CC)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000185251625 437432682 /nfs/dbraw/zinc/43/26/82/437432682.db2.gz ADTAVTAYIVFJKT-ZAMGYDSWSA-N 1 1 344.437 0.775 20 5 ECBDMO CCC1(CC)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[S@]1=O ZINC000185251625 437432688 /nfs/dbraw/zinc/43/26/88/437432688.db2.gz ADTAVTAYIVFJKT-ZAMGYDSWSA-N 1 1 344.437 0.775 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338981795 437432757 /nfs/dbraw/zinc/43/27/57/437432757.db2.gz PXPYLKKMMBUFND-JTQLQIEISA-N 1 1 344.393 0.306 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000338981795 437432759 /nfs/dbraw/zinc/43/27/59/437432759.db2.gz PXPYLKKMMBUFND-JTQLQIEISA-N 1 1 344.393 0.306 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188462048 437549118 /nfs/dbraw/zinc/54/91/18/437549118.db2.gz GWOGCAGTRLIVBE-OAHLLOKOSA-N 1 1 335.360 0.905 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188462048 437549121 /nfs/dbraw/zinc/54/91/21/437549121.db2.gz GWOGCAGTRLIVBE-OAHLLOKOSA-N 1 1 335.360 0.905 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000330657287 437581075 /nfs/dbraw/zinc/58/10/75/437581075.db2.gz VSQMFQXNYSTNKY-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)[C@@H](C)C1 ZINC000330657287 437581077 /nfs/dbraw/zinc/58/10/77/437581077.db2.gz VSQMFQXNYSTNKY-NSHDSACASA-N 1 1 338.364 0.643 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CCOC ZINC000356731348 437820795 /nfs/dbraw/zinc/82/07/95/437820795.db2.gz PBXWYQMQIIKOIP-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CCOC ZINC000356731348 437820800 /nfs/dbraw/zinc/82/08/00/437820800.db2.gz PBXWYQMQIIKOIP-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1C[C@H](C)O ZINC000356739717 437822392 /nfs/dbraw/zinc/82/23/92/437822392.db2.gz OUJRDJCPNALNAL-QWRGUYRKSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1C[C@H](C)O ZINC000356739717 437822400 /nfs/dbraw/zinc/82/24/00/437822400.db2.gz OUJRDJCPNALNAL-QWRGUYRKSA-N 1 1 325.369 0.246 20 5 ECBDMO CN1CCC[C@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1=O ZINC000370413623 437779163 /nfs/dbraw/zinc/77/91/63/437779163.db2.gz OIXFLMHSUSBOFU-MRXNPFEDSA-N 1 1 334.376 0.701 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347447313 437892831 /nfs/dbraw/zinc/89/28/31/437892831.db2.gz MHSAIWNIOZNUGO-CYBMUJFWSA-N 1 1 344.375 1.290 20 5 ECBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000416293788 437905554 /nfs/dbraw/zinc/90/55/54/437905554.db2.gz KHHNKUFLPAJSBC-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000416293788 437905559 /nfs/dbraw/zinc/90/55/59/437905559.db2.gz KHHNKUFLPAJSBC-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357452757 437990062 /nfs/dbraw/zinc/99/00/62/437990062.db2.gz ICGOPFLJIMCCMX-LLVKDONJSA-N 1 1 336.396 0.527 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000366305977 438050413 /nfs/dbraw/zinc/05/04/13/438050413.db2.gz FAJMMDOIWLQZIV-GHMZBOCLSA-N 1 1 334.288 0.598 20 5 ECBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]12 ZINC000366305977 438050418 /nfs/dbraw/zinc/05/04/18/438050418.db2.gz FAJMMDOIWLQZIV-GHMZBOCLSA-N 1 1 334.288 0.598 20 5 ECBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000371993425 438021259 /nfs/dbraw/zinc/02/12/59/438021259.db2.gz QWNYCRKVRIFMOK-NSHDSACASA-N 1 1 349.351 0.507 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000371994226 438021359 /nfs/dbraw/zinc/02/13/59/438021359.db2.gz JNAGXYRSCROLBF-UONOGXRCSA-N 1 1 337.380 0.551 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000424991013 438005979 /nfs/dbraw/zinc/00/59/79/438005979.db2.gz NGIIQTAXAZSJEA-UHFFFAOYSA-N 1 1 337.380 0.755 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCN3CCOC[C@H]3C2)c1 ZINC000348759251 438093256 /nfs/dbraw/zinc/09/32/56/438093256.db2.gz AFWIOZALZVYESV-CABCVRRESA-N 1 1 337.376 0.351 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366759640 438121696 /nfs/dbraw/zinc/12/16/96/438121696.db2.gz RASIDOGIYZYLIW-TZMCWYRMSA-N 1 1 348.359 0.513 20 5 ECBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000374531008 438216426 /nfs/dbraw/zinc/21/64/26/438216426.db2.gz QHIHJILJJPRHQK-ZDUSSCGKSA-N 1 1 336.396 0.078 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000358431389 438222792 /nfs/dbraw/zinc/22/27/92/438222792.db2.gz STJTYIOPCFYUSX-NSHDSACASA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000358431389 438222794 /nfs/dbraw/zinc/22/27/94/438222794.db2.gz STJTYIOPCFYUSX-NSHDSACASA-N 1 1 329.378 0.727 20 5 ECBDMO CN1CC[NH+](C[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000367623966 438229655 /nfs/dbraw/zinc/22/96/55/438229655.db2.gz SGQFMROMHPJTCE-OAHLLOKOSA-N 1 1 336.440 0.751 20 5 ECBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]12 ZINC000368635336 438357164 /nfs/dbraw/zinc/35/71/64/438357164.db2.gz FQHWOQIHNXEHES-OLZOCXBDSA-N 1 1 347.327 0.556 20 5 ECBDMO CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378424560 438384836 /nfs/dbraw/zinc/38/48/36/438384836.db2.gz FBXFRZCKYFHGOD-HNNXBMFYSA-N 1 1 336.440 0.892 20 5 ECBDMO CN(CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378424560 438384840 /nfs/dbraw/zinc/38/48/40/438384840.db2.gz FBXFRZCKYFHGOD-HNNXBMFYSA-N 1 1 336.440 0.892 20 5 ECBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405421337 438471048 /nfs/dbraw/zinc/47/10/48/438471048.db2.gz XSNWCOJYMDDNFO-NWDGAFQWSA-N 1 1 335.360 0.885 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000438655962 438484047 /nfs/dbraw/zinc/48/40/47/438484047.db2.gz LYCQOTAZTKCJAE-LBPRGKRZSA-N 1 1 325.390 0.994 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CCSC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000438655962 438484050 /nfs/dbraw/zinc/48/40/50/438484050.db2.gz LYCQOTAZTKCJAE-LBPRGKRZSA-N 1 1 325.390 0.994 20 5 ECBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000369825212 438520483 /nfs/dbraw/zinc/52/04/83/438520483.db2.gz GZQLCMGGWXBAAX-PYJNHQTQSA-N 1 1 337.380 0.271 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000408144512 438522742 /nfs/dbraw/zinc/52/27/42/438522742.db2.gz AGLPSFPVYNUPKR-GHMZBOCLSA-N 1 1 343.409 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000408144512 438522747 /nfs/dbraw/zinc/52/27/47/438522747.db2.gz AGLPSFPVYNUPKR-GHMZBOCLSA-N 1 1 343.409 0.526 20 5 ECBDMO O=C([C@@H]1CCCO1)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369995765 438540233 /nfs/dbraw/zinc/54/02/33/438540233.db2.gz BQFTUEWPBCLVRO-AWEZNQCLSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C([C@@H]1CCCO1)N1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000369995765 438540234 /nfs/dbraw/zinc/54/02/34/438540234.db2.gz BQFTUEWPBCLVRO-AWEZNQCLSA-N 1 1 337.380 0.505 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452393347 438660782 /nfs/dbraw/zinc/66/07/82/438660782.db2.gz SJCWQDRMDKNJTH-CQSZACIVSA-N 1 1 337.376 0.937 20 5 ECBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413495671 438694028 /nfs/dbraw/zinc/69/40/28/438694028.db2.gz JBOQNKBCJZALOF-LLVKDONJSA-N 1 1 325.369 0.661 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000453919946 438700690 /nfs/dbraw/zinc/70/06/90/438700690.db2.gz QNCGDTLBDHUZGT-GXFFZTMASA-N 1 1 348.359 0.704 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456211130 438762883 /nfs/dbraw/zinc/76/28/83/438762883.db2.gz NJVCVEFQPFIDRS-TXEJJXNPSA-N 1 1 339.396 0.403 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])c1 ZINC000595608754 438834100 /nfs/dbraw/zinc/83/41/00/438834100.db2.gz VMLJKNSKPQPWRZ-NSHDSACASA-N 1 1 330.348 0.807 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595665063 438842765 /nfs/dbraw/zinc/84/27/65/438842765.db2.gz FBFWDCAPWKMXJA-GXTWGEPZSA-N 1 1 338.316 0.881 20 5 ECBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000561316774 438843766 /nfs/dbraw/zinc/84/37/66/438843766.db2.gz XWGJRNCGLSUTMJ-LLVKDONJSA-N 1 1 336.396 0.328 20 5 ECBDMO Nc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000588860185 438844205 /nfs/dbraw/zinc/84/42/05/438844205.db2.gz GBQGBFWFXUBFBT-GHMZBOCLSA-N 1 1 338.339 0.597 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000578803979 438955456 /nfs/dbraw/zinc/95/54/56/438955456.db2.gz FBZZTVJUIFGVTG-HNNXBMFYSA-N 1 1 335.408 0.567 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709251 438991305 /nfs/dbraw/zinc/99/13/05/438991305.db2.gz PFXVDQRDAINCAF-ONGXEEELSA-N 1 1 348.302 0.990 20 5 ECBDMO COc1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709251 438991309 /nfs/dbraw/zinc/99/13/09/438991309.db2.gz PFXVDQRDAINCAF-ONGXEEELSA-N 1 1 348.302 0.990 20 5 ECBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602059437 439005517 /nfs/dbraw/zinc/00/55/17/439005517.db2.gz ZMDIISPLYGPRQN-ZDUSSCGKSA-N 1 1 333.392 0.980 20 5 ECBDMO NC(=O)c1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)on1 ZINC000591752161 439080837 /nfs/dbraw/zinc/08/08/37/439080837.db2.gz ZDHBNXHZKSUXOL-JTQLQIEISA-N 1 1 336.304 0.211 20 5 ECBDMO CN1CCN(C(=O)C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602966031 439170807 /nfs/dbraw/zinc/17/08/07/439170807.db2.gz VCZJLGJBFHNEPT-MRXNPFEDSA-N 1 1 336.392 0.166 20 5 ECBDMO COCCOCC[NH+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602705309 439126338 /nfs/dbraw/zinc/12/63/38/439126338.db2.gz KLRWQSKBFLJNPO-UHFFFAOYSA-N 1 1 327.385 0.109 20 5 ECBDMO CCN1CCN([C@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778484 439133961 /nfs/dbraw/zinc/13/39/61/439133961.db2.gz YMXKLEKOUNPBRI-HNNXBMFYSA-N 1 1 336.440 0.812 20 5 ECBDMO CCN1CCN([C@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778484 439133968 /nfs/dbraw/zinc/13/39/68/439133968.db2.gz YMXKLEKOUNPBRI-HNNXBMFYSA-N 1 1 336.440 0.812 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(Cc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1 ZINC000602804541 439137519 /nfs/dbraw/zinc/13/75/19/439137519.db2.gz JHNYSRPOTMYMGO-LLVKDONJSA-N 1 1 325.369 0.398 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1[nH]ncc1[N+](=O)[O-] ZINC000597993159 439209281 /nfs/dbraw/zinc/20/92/81/439209281.db2.gz ZSZMIDFDMRTQSO-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000597993159 439209287 /nfs/dbraw/zinc/20/92/87/439209287.db2.gz ZSZMIDFDMRTQSO-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1n[nH]cc1[N+](=O)[O-] ZINC000597993159 439209292 /nfs/dbraw/zinc/20/92/92/439209292.db2.gz ZSZMIDFDMRTQSO-ZDUSSCGKSA-N 1 1 345.359 0.815 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000597996086 439211624 /nfs/dbraw/zinc/21/16/24/439211624.db2.gz HZQVJLBRALXGCF-RYUDHWBXSA-N 1 1 339.396 0.715 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000597996086 439211627 /nfs/dbraw/zinc/21/16/27/439211627.db2.gz HZQVJLBRALXGCF-RYUDHWBXSA-N 1 1 339.396 0.715 20 5 ECBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525694554 439214022 /nfs/dbraw/zinc/21/40/22/439214022.db2.gz HRVAQBPWWGOZEE-NSHDSACASA-N 1 1 328.394 0.952 20 5 ECBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000592388727 439217132 /nfs/dbraw/zinc/21/71/32/439217132.db2.gz LLBWHZMOZKLZKF-MRVPVSSYSA-N 1 1 349.390 0.182 20 5 ECBDMO COC(=O)c1ccnc(N2CC[NH+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000598593129 439282538 /nfs/dbraw/zinc/28/25/38/439282538.db2.gz QNLNSTZLJIQNEV-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000598367273 439255897 /nfs/dbraw/zinc/25/58/97/439255897.db2.gz RXEGCSNQXIXJKY-ZIAGYGMSSA-N 1 1 349.391 0.551 20 5 ECBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1c[nH]nc1[N+](=O)[O-] ZINC000598367265 439256814 /nfs/dbraw/zinc/25/68/14/439256814.db2.gz RLZAYZOWLPZBPK-VXGBXAGGSA-N 1 1 335.364 0.691 20 5 ECBDMO CC[NH+]1CCN(c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])CC1 ZINC000603474490 439264183 /nfs/dbraw/zinc/26/41/83/439264183.db2.gz QCKCNLLTBZFDPG-UHFFFAOYSA-N 1 1 342.421 0.987 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598901626 439323154 /nfs/dbraw/zinc/32/31/54/439323154.db2.gz AWILILAIWNMGCT-FZMZJTMJSA-N 1 1 347.375 0.879 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])C[C@@H]21 ZINC000598632447 439292757 /nfs/dbraw/zinc/29/27/57/439292757.db2.gz CYBDSMWRHHPTJZ-NEPJUHHUSA-N 1 1 334.380 0.362 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598630294 439292856 /nfs/dbraw/zinc/29/28/56/439292856.db2.gz GSKRWQIUUZYYCU-GFCCVEGCSA-N 1 1 336.396 0.752 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000599108956 439360444 /nfs/dbraw/zinc/36/04/44/439360444.db2.gz XBCFPBATUROHIE-NSHDSACASA-N 1 1 329.378 0.478 20 5 ECBDMO CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000570198321 439399841 /nfs/dbraw/zinc/39/98/41/439399841.db2.gz UKHVEFKWOMUQQS-ZDUSSCGKSA-N 1 1 346.387 0.690 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593550999 439400839 /nfs/dbraw/zinc/40/08/39/439400839.db2.gz PPEHDDXPUVNZTM-JQWIXIFHSA-N 1 1 328.394 0.951 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000599338447 439440527 /nfs/dbraw/zinc/44/05/27/439440527.db2.gz RSCMIZMVZHMUHR-SNVBAGLBSA-N 1 1 345.425 0.727 20 5 ECBDMO O=C(C[NH+]1C[C@@H](CO)[C@H](CO)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000599531194 439499458 /nfs/dbraw/zinc/49/94/58/439499458.db2.gz MFPWHCYHZRBSEV-STQMWFEESA-N 1 1 335.360 0.017 20 5 ECBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645057 439527396 /nfs/dbraw/zinc/52/73/96/439527396.db2.gz OJBVXYNUYURLMO-BJHJDKERSA-N 1 1 332.360 0.680 20 5 ECBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000599695894 439538855 /nfs/dbraw/zinc/53/88/55/439538855.db2.gz YRZGXSCUJBSCPE-LLVKDONJSA-N 1 1 331.398 0.053 20 5 ECBDMO Cn1c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571821 439577528 /nfs/dbraw/zinc/57/75/28/439577528.db2.gz LTWQJDZEODCCCT-LBPRGKRZSA-N 1 1 335.408 0.832 20 5 ECBDMO Cn1c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571821 439577533 /nfs/dbraw/zinc/57/75/33/439577533.db2.gz LTWQJDZEODCCCT-LBPRGKRZSA-N 1 1 335.408 0.832 20 5 ECBDMO Cn1c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571820 439578366 /nfs/dbraw/zinc/57/83/66/439578366.db2.gz LTWQJDZEODCCCT-GFCCVEGCSA-N 1 1 335.408 0.832 20 5 ECBDMO Cn1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000609571820 439578367 /nfs/dbraw/zinc/57/83/67/439578367.db2.gz LTWQJDZEODCCCT-GFCCVEGCSA-N 1 1 335.408 0.832 20 5 ECBDMO CNc1nccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)c1[N+](=O)[O-] ZINC000572496257 439586817 /nfs/dbraw/zinc/58/68/17/439586817.db2.gz GUCYTJKHHUFVQB-NSHDSACASA-N 1 1 337.380 0.608 20 5 ECBDMO C[NH+]1CCN(CC(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000610340028 439610802 /nfs/dbraw/zinc/61/08/02/439610802.db2.gz OFZZAHUJFSAHQI-CYBMUJFWSA-N 1 1 348.407 0.250 20 5 ECBDMO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000586779741 439661464 /nfs/dbraw/zinc/66/14/64/439661464.db2.gz PZJUEHYOTLBNRH-GFCCVEGCSA-N 1 1 336.396 0.558 20 5 ECBDMO CN(C(=O)c1cc([N+](=O)[O-])n[nH]1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000586779741 439661466 /nfs/dbraw/zinc/66/14/66/439661466.db2.gz PZJUEHYOTLBNRH-GFCCVEGCSA-N 1 1 336.396 0.558 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000600807467 439704528 /nfs/dbraw/zinc/70/45/28/439704528.db2.gz DZUACLWNMMYPQU-ZDUSSCGKSA-N 1 1 345.359 0.577 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCCN(Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000555417274 322180591 /nfs/dbraw/zinc/18/05/91/322180591.db2.gz DRQJRSQRRGMVKR-GFCCVEGCSA-N 1 1 329.378 0.814 20 5 ECBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286684640 517961375 /nfs/dbraw/zinc/96/13/75/517961375.db2.gz CNWRMEFJBYKCAM-WCQYABFASA-N 1 1 341.368 0.363 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000171506118 534887399 /nfs/dbraw/zinc/88/73/99/534887399.db2.gz YSKKKOCTNRRNPO-UHFFFAOYSA-N 1 1 343.405 0.425 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000171506118 534887400 /nfs/dbraw/zinc/88/74/00/534887400.db2.gz YSKKKOCTNRRNPO-UHFFFAOYSA-N 1 1 343.405 0.425 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190160828 528553186 /nfs/dbraw/zinc/55/31/86/528553186.db2.gz DRVGZXXYYKJVOX-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO CC1(C)C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000420935772 546214202 /nfs/dbraw/zinc/21/42/02/546214202.db2.gz KFRPQOIJYKVKLU-STQMWFEESA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](CO)O1 ZINC000420935772 546214204 /nfs/dbraw/zinc/21/42/04/546214204.db2.gz KFRPQOIJYKVKLU-STQMWFEESA-N 1 1 340.376 0.806 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000600534204 546297141 /nfs/dbraw/zinc/29/71/41/546297141.db2.gz TZMAYFQKSALBNP-CYBMUJFWSA-N 1 1 345.359 0.577 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000749540336 579339244 /nfs/dbraw/zinc/33/92/44/579339244.db2.gz NQVVWKQEQQVBNJ-ZYHUDNBSSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000749540336 579339245 /nfs/dbraw/zinc/33/92/45/579339245.db2.gz NQVVWKQEQQVBNJ-ZYHUDNBSSA-N 1 1 338.412 0.990 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110245 579347506 /nfs/dbraw/zinc/34/75/06/579347506.db2.gz ZTZGSNVDLMOKCS-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750110245 579347507 /nfs/dbraw/zinc/34/75/07/579347507.db2.gz ZTZGSNVDLMOKCS-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000752320371 579383213 /nfs/dbraw/zinc/38/32/13/579383213.db2.gz BIEWOQFXONYWBD-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC(N)=O)CC1 ZINC000755321618 579432209 /nfs/dbraw/zinc/43/22/09/579432209.db2.gz CBUBCVIHHFIOGN-UHFFFAOYSA-N 1 1 336.348 0.283 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000736149635 578411715 /nfs/dbraw/zinc/41/17/15/578411715.db2.gz VKYIIPLUWVLKKE-VHSXEESVSA-N 1 1 348.367 0.061 20 5 ECBDMO C[N@@H+](CCO)C1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736801284 578453407 /nfs/dbraw/zinc/45/34/07/578453407.db2.gz HEWNIPCXVRGAKH-UHFFFAOYSA-N 1 1 347.379 0.668 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737006183 578472385 /nfs/dbraw/zinc/47/23/85/578472385.db2.gz WFDLKLAILWVYRO-SNVBAGLBSA-N 1 1 348.367 0.693 20 5 ECBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794785010 578600059 /nfs/dbraw/zinc/60/00/59/578600059.db2.gz JAGPDBDTPMREGE-KGLIPLIRSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000794785010 578600060 /nfs/dbraw/zinc/60/00/60/578600060.db2.gz JAGPDBDTPMREGE-KGLIPLIRSA-N 1 1 343.405 0.594 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000789380301 578853079 /nfs/dbraw/zinc/85/30/79/578853079.db2.gz XONOQVVWEKDBAE-IUODEOHRSA-N 1 1 334.332 0.302 20 5 ECBDMO C[S@](=O)CC[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000774668016 579253091 /nfs/dbraw/zinc/25/30/91/579253091.db2.gz UDPBRXXSWUHOJJ-QHCPKHFHSA-N 1 1 337.405 0.972 20 5 ECBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000762817127 579548941 /nfs/dbraw/zinc/54/89/41/579548941.db2.gz CXCWZBCZECQZRN-CQSZACIVSA-N 1 1 338.320 0.608 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837192921 588944658 /nfs/dbraw/zinc/94/46/58/588944658.db2.gz XTZGQXVRDJEZLU-LLVKDONJSA-N 1 1 341.339 0.638 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000837192921 588944659 /nfs/dbraw/zinc/94/46/59/588944659.db2.gz XTZGQXVRDJEZLU-LLVKDONJSA-N 1 1 341.339 0.638 20 5 ECBDMO COc1c(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000896540601 586250218 /nfs/dbraw/zinc/25/02/18/586250218.db2.gz FWXIABOHTCRXGN-FZMZJTMJSA-N 1 1 336.392 0.968 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000840133437 587152219 /nfs/dbraw/zinc/15/22/19/587152219.db2.gz MGKBGHWUURGABO-YGRLFVJLSA-N 1 1 330.344 0.784 20 5 ECBDMO Cn1cnc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000808383559 587154436 /nfs/dbraw/zinc/15/44/36/587154436.db2.gz INOGHDHHQZIMKK-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826581671 588071720 /nfs/dbraw/zinc/07/17/20/588071720.db2.gz YBUJTHWNQZVFFI-LBPRGKRZSA-N 1 1 329.397 0.918 20 5 ECBDMO CN(C)c1cc(F)c(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000828505810 588185198 /nfs/dbraw/zinc/18/51/98/588185198.db2.gz XPEQLODIFKTQRD-OAHLLOKOSA-N 1 1 340.355 0.596 20 5 ECBDMO C[N@H+]1CC[C@H](CN2C(=O)c3ccc([N+](=O)[O-])cc3S2(=O)=O)C1 ZINC000830078326 588359337 /nfs/dbraw/zinc/35/93/37/588359337.db2.gz BWZUFMIYTDOROI-VIFPVBQESA-N 1 1 325.346 0.691 20 5 ECBDMO C[C@@H]1[C@@H](O)CC[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000831839707 588453534 /nfs/dbraw/zinc/45/35/34/588453534.db2.gz TXVYSWIWBAUIBH-CJNGLKHVSA-N 1 1 348.403 0.699 20 5 ECBDMO CC(C)C[C@H](NC(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000854632436 589597337 /nfs/dbraw/zinc/59/73/37/589597337.db2.gz MGMHPQVAWNVVGW-RFQIPJPRSA-N 1 1 340.424 0.345 20 5 ECBDMO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000854947087 589614175 /nfs/dbraw/zinc/61/41/75/589614175.db2.gz FDWZTYARYVLNPO-UHFFFAOYSA-N 1 1 331.350 0.221 20 5 ECBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856257304 589658332 /nfs/dbraw/zinc/65/83/32/589658332.db2.gz UXOBABVDSRCYCY-CVEARBPZSA-N 1 1 349.387 0.686 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928095673 611673597 /nfs/dbraw/zinc/67/35/97/611673597.db2.gz VESJZGXPWFPLGT-GHMZBOCLSA-N 1 1 339.421 0.946 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928095673 611673600 /nfs/dbraw/zinc/67/36/00/611673600.db2.gz VESJZGXPWFPLGT-GHMZBOCLSA-N 1 1 339.421 0.946 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000914832112 609897817 /nfs/dbraw/zinc/89/78/17/609897817.db2.gz MRBPZAVMUQJMQS-UHFFFAOYSA-N 1 1 336.348 0.040 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941406863 610721869 /nfs/dbraw/zinc/72/18/69/610721869.db2.gz HEXULBKKQFBVSS-HZPDHXFCSA-N 1 1 336.436 0.670 20 5 ECBDMO O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000943699393 610943280 /nfs/dbraw/zinc/94/32/80/610943280.db2.gz IBUBNLPRFJDSQO-AAVRWANBSA-N 1 1 338.408 0.291 20 5 ECBDMO Cc1nn[nH]c1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001025933478 740262262 /nfs/dbraw/zinc/26/22/62/740262262.db2.gz LSNSQFRDZBWOQR-NHAGDIPZSA-N 1 1 342.359 0.882 20 5 ECBDMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001026144755 740418078 /nfs/dbraw/zinc/41/80/78/740418078.db2.gz ITVJOLQRFNUECB-FOLVSLTJSA-N 1 1 342.359 0.433 20 5 ECBDMO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC000997770980 743800812 /nfs/dbraw/zinc/80/08/12/743800812.db2.gz DTNWUJXXFIFCNV-HUUCEWRRSA-N 1 1 333.392 0.778 20 5 ECBDMO CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997772685 743802377 /nfs/dbraw/zinc/80/23/77/743802377.db2.gz QIDNFKWAXNZCSY-HUUCEWRRSA-N 1 1 335.408 0.896 20 5 ECBDMO CCn1nnc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983652962 744997033 /nfs/dbraw/zinc/99/70/33/744997033.db2.gz FNMPRJXJMIIRAE-FDYHWXHSSA-N 1 1 336.396 0.256 20 5 ECBDMO Cn1nccc1CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000672902 745686960 /nfs/dbraw/zinc/68/69/60/745686960.db2.gz BMABQPSTJGZWNK-HUUCEWRRSA-N 1 1 333.392 0.376 20 5 ECBDMO Cn1nccc1CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000672902 745686964 /nfs/dbraw/zinc/68/69/64/745686964.db2.gz BMABQPSTJGZWNK-HUUCEWRRSA-N 1 1 333.392 0.376 20 5 ECBDMO Cn1nccc1CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001000672902 745686966 /nfs/dbraw/zinc/68/69/66/745686966.db2.gz BMABQPSTJGZWNK-HUUCEWRRSA-N 1 1 333.392 0.376 20 5 ECBDMO Cn1nccc1CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000981764593 751075814 /nfs/dbraw/zinc/07/58/14/751075814.db2.gz UTXLDUGOMAUXPH-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cn1nccc1CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764593 751075820 /nfs/dbraw/zinc/07/58/20/751075820.db2.gz UTXLDUGOMAUXPH-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cn1nccc1CC[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000981764593 751075829 /nfs/dbraw/zinc/07/58/29/751075829.db2.gz UTXLDUGOMAUXPH-HUUCEWRRSA-N 1 1 347.419 0.552 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105504819 753763471 /nfs/dbraw/zinc/76/34/71/753763471.db2.gz BWXJAGGYHGQNSG-UHFFFAOYSA-N 1 1 348.367 0.067 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])n1 ZINC001212108662 754068636 /nfs/dbraw/zinc/06/86/36/754068636.db2.gz ZAINJSJDTMAFFS-LLVKDONJSA-N 1 1 345.425 0.916 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])n1 ZINC001212108662 754068637 /nfs/dbraw/zinc/06/86/37/754068637.db2.gz ZAINJSJDTMAFFS-LLVKDONJSA-N 1 1 345.425 0.916 20 5 ECBDMO CN1C(=O)CCc2cc(C[NH2+]CCNC(=O)[C@@H]3CC3[N+](=O)[O-])ccc21 ZINC001126936625 756764621 /nfs/dbraw/zinc/76/46/21/756764621.db2.gz NBJPAHCCBREVEO-UKRRQHHQSA-N 1 1 346.387 0.467 20 5 ECBDMO Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812378 757074014 /nfs/dbraw/zinc/07/40/14/757074014.db2.gz HESKEDAAKSGSAD-AYRXBEOTSA-N 1 1 333.392 0.018 20 5 ECBDMO Cn1nccc1CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812378 757074020 /nfs/dbraw/zinc/07/40/20/757074020.db2.gz HESKEDAAKSGSAD-AYRXBEOTSA-N 1 1 333.392 0.018 20 5 ECBDMO Cn1nccc1CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812378 757074028 /nfs/dbraw/zinc/07/40/28/757074028.db2.gz HESKEDAAKSGSAD-AYRXBEOTSA-N 1 1 333.392 0.018 20 5 ECBDMO O=C(NCC[NH2+]CCOCCOc1ccccc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126949393 757171224 /nfs/dbraw/zinc/17/12/24/757171224.db2.gz QLHODWVKJNRROK-HUUCEWRRSA-N 1 1 337.376 0.453 20 5 ECBDMO Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001050325594 760129088 /nfs/dbraw/zinc/12/90/88/760129088.db2.gz JAXVMVAEEFEJPN-QHSBEEBCSA-N 1 1 335.408 0.850 20 5 ECBDMO Cn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001050325850 760130785 /nfs/dbraw/zinc/13/07/85/760130785.db2.gz OGERCKBPGRKSSN-NMFUWQPSSA-N 1 1 335.408 0.850 20 5 ECBDMO Cn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)nn1 ZINC001050326332 760131824 /nfs/dbraw/zinc/13/18/24/760131824.db2.gz XUDZDVKVCDINNP-HBJVGIJOSA-N 1 1 336.396 0.245 20 5 ECBDMO Cn1c(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)c[nH]c1=O ZINC001031899352 763446113 /nfs/dbraw/zinc/44/61/13/763446113.db2.gz YCDGQCVTMGDKBR-UHFFFAOYSA-N 1 1 345.359 0.896 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000174305721 231172687 /nfs/dbraw/zinc/17/26/87/231172687.db2.gz HAFFFDFAGHVPOJ-NWDGAFQWSA-N 1 1 339.396 0.403 20 5 ECBDMO Nc1c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cccc1[N+](=O)[O-] ZINC000186614363 235959306 /nfs/dbraw/zinc/95/93/06/235959306.db2.gz WDUIGUROAUCUKV-LLVKDONJSA-N 1 1 347.375 0.213 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189548552 237012838 /nfs/dbraw/zinc/01/28/38/237012838.db2.gz PWLMRRWUIFRPDG-NWDGAFQWSA-N 1 1 336.392 0.581 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000193572798 240219445 /nfs/dbraw/zinc/21/94/45/240219445.db2.gz NHSQHWKLQDTDHW-LBPRGKRZSA-N 1 1 335.408 0.912 20 5 ECBDMO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+](C)Cc1ccccc1 ZINC000110350346 220030938 /nfs/dbraw/zinc/03/09/38/220030938.db2.gz SYZTUZOUIZLBRM-GFCCVEGCSA-N 1 1 332.364 0.823 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266097821 248095447 /nfs/dbraw/zinc/09/54/47/248095447.db2.gz YGDPFMBKQJBKBF-UHFFFAOYSA-N 1 1 334.376 0.464 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)CN(C)c2ccccc2[N+](=O)[O-])C1 ZINC000266320193 248245714 /nfs/dbraw/zinc/24/57/14/248245714.db2.gz HYTLEESAIPHQPY-CYBMUJFWSA-N 1 1 336.392 0.868 20 5 ECBDMO COCCOC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557189 211329047 /nfs/dbraw/zinc/32/90/47/211329047.db2.gz BMUGWWFLPCNKSD-OCCSQVGLSA-N 1 1 340.380 0.500 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)C1 ZINC000450304215 211317285 /nfs/dbraw/zinc/31/72/85/211317285.db2.gz LKJYMHPNBOYRJG-NSHDSACASA-N 1 1 346.391 0.892 20 5 ECBDMO COC(=O)[C@]1(C)CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000412073420 208199356 /nfs/dbraw/zinc/19/93/56/208199356.db2.gz QEUAKQCIIDBPIG-GXTWGEPZSA-N 1 1 326.353 0.427 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@H+](C)C1 ZINC000413895469 208366301 /nfs/dbraw/zinc/36/63/01/208366301.db2.gz FDBDYBWOPFQLMP-SNVBAGLBSA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2N)CC[N@@H+](C)C1 ZINC000413895469 208366305 /nfs/dbraw/zinc/36/63/05/208366305.db2.gz FDBDYBWOPFQLMP-SNVBAGLBSA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413920042 208376740 /nfs/dbraw/zinc/37/67/40/208376740.db2.gz MWPAMCQXNHHIAD-ZDUSSCGKSA-N 1 1 335.360 0.701 20 5 ECBDMO C[N@@H+](CCCNC(=O)C1CCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429558473 210322629 /nfs/dbraw/zinc/32/26/29/210322629.db2.gz URWRXCSFOYJBFL-CQSZACIVSA-N 1 1 339.396 0.390 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000451664219 285165109 /nfs/dbraw/zinc/16/51/09/285165109.db2.gz OBNDGKMJHPPYJX-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000451664219 285165111 /nfs/dbraw/zinc/16/51/11/285165111.db2.gz OBNDGKMJHPPYJX-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154301033 224234406 /nfs/dbraw/zinc/23/44/06/224234406.db2.gz QGHDYZOHKMHWJG-UHFFFAOYSA-N 1 1 349.384 0.899 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154301033 224234408 /nfs/dbraw/zinc/23/44/08/224234408.db2.gz QGHDYZOHKMHWJG-UHFFFAOYSA-N 1 1 349.384 0.899 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000358626238 299745240 /nfs/dbraw/zinc/74/52/40/299745240.db2.gz QLOZONLNGLHHQR-UHFFFAOYSA-N 1 1 340.299 0.976 20 5 ECBDMO C[C@@](O)(CNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000174479660 263150081 /nfs/dbraw/zinc/15/00/81/263150081.db2.gz LKYFAESUBMMQOQ-DKRLNXSXSA-N 1 1 349.387 0.807 20 5 ECBDMO CCc1n[nH]c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000267066069 263180184 /nfs/dbraw/zinc/18/01/84/263180184.db2.gz ANKMLVYJECHALV-NSHDSACASA-N 1 1 338.412 0.494 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000271140143 263302167 /nfs/dbraw/zinc/30/21/67/263302167.db2.gz OUDWISCLCDMXJP-UHFFFAOYSA-N 1 1 339.396 0.799 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000271140143 263302169 /nfs/dbraw/zinc/30/21/69/263302169.db2.gz OUDWISCLCDMXJP-UHFFFAOYSA-N 1 1 339.396 0.799 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000271140143 263302170 /nfs/dbraw/zinc/30/21/70/263302170.db2.gz OUDWISCLCDMXJP-UHFFFAOYSA-N 1 1 339.396 0.799 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283864156 264160622 /nfs/dbraw/zinc/16/06/22/264160622.db2.gz HOVDANQBKMNLJB-VIFPVBQESA-N 1 1 325.344 0.292 20 5 ECBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1COC[C@H]1O ZINC000286079306 264367357 /nfs/dbraw/zinc/36/73/57/264367357.db2.gz SEUPSUBOGXJZPI-CHWSQXEVSA-N 1 1 327.312 0.754 20 5 ECBDMO Cc1nc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncc1[N+](=O)[O-] ZINC000297398183 265145275 /nfs/dbraw/zinc/14/52/75/265145275.db2.gz FOIOWXPHDYAVMU-LBPRGKRZSA-N 1 1 334.380 0.436 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000189343461 437594455 /nfs/dbraw/zinc/59/44/55/437594455.db2.gz VCXZNUQSRBXGTJ-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1CC(C)(C)O ZINC000189925873 437613106 /nfs/dbraw/zinc/61/31/06/437613106.db2.gz RIUXBYHYTFAWNV-ZDUSSCGKSA-N 1 1 338.408 0.534 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000330791646 437615678 /nfs/dbraw/zinc/61/56/78/437615678.db2.gz BJWYYTOKADECGU-QWRGUYRKSA-N 1 1 325.369 0.246 20 5 ECBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000330791646 437615682 /nfs/dbraw/zinc/61/56/82/437615682.db2.gz BJWYYTOKADECGU-QWRGUYRKSA-N 1 1 325.369 0.246 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 ZINC000332692416 297065684 /nfs/dbraw/zinc/06/56/84/297065684.db2.gz UMCBRUHCFLARQF-UHFFFAOYSA-N 1 1 347.331 0.186 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346643478 298310479 /nfs/dbraw/zinc/31/04/79/298310479.db2.gz LRECZWHOHDGXDD-CUBALJKWSA-N 1 1 349.387 0.920 20 5 ECBDMO COc1ccc(CN2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1[N+](=O)[O-] ZINC000362696345 300210829 /nfs/dbraw/zinc/21/08/29/300210829.db2.gz YGNPJPQMVNEXOE-CQSZACIVSA-N 1 1 348.403 1.000 20 5 ECBDMO COc1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000362696345 300210832 /nfs/dbraw/zinc/21/08/32/300210832.db2.gz YGNPJPQMVNEXOE-CQSZACIVSA-N 1 1 348.403 1.000 20 5 ECBDMO COc1ccc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000362696345 300210835 /nfs/dbraw/zinc/21/08/35/300210835.db2.gz YGNPJPQMVNEXOE-CQSZACIVSA-N 1 1 348.403 1.000 20 5 ECBDMO O=C1CNCCN1[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362840160 300226185 /nfs/dbraw/zinc/22/61/85/300226185.db2.gz RTWDLXOZIJKUOX-HNNXBMFYSA-N 1 1 348.403 0.870 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000363639011 300282523 /nfs/dbraw/zinc/28/25/23/300282523.db2.gz VBFVGSARVDRAHC-ZDUSSCGKSA-N 1 1 336.396 0.030 20 5 ECBDMO CNS(=O)(=O)CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664987 436050817 /nfs/dbraw/zinc/05/08/17/436050817.db2.gz NPSGAEXTGPCWIY-LLVKDONJSA-N 1 1 343.409 0.415 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCCNC1=O ZINC000373280337 301056402 /nfs/dbraw/zinc/05/64/02/301056402.db2.gz KLFDJSLPQFWTIX-GXTWGEPZSA-N 1 1 337.376 0.935 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000376494226 301267465 /nfs/dbraw/zinc/26/74/65/301267465.db2.gz DGCMDCSLKAQTIF-GJZGRUSLSA-N 1 1 334.376 0.969 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593346 301363095 /nfs/dbraw/zinc/36/30/95/301363095.db2.gz NNLILDLRTKTGSD-WDEREUQCSA-N 1 1 337.380 0.863 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000076459262 436209221 /nfs/dbraw/zinc/20/92/21/436209221.db2.gz OLXDXJYDFLRWBL-SNVBAGLBSA-N 1 1 340.405 0.974 20 5 ECBDMO CN(CC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1[N+](=O)[O-] ZINC000080206066 436314978 /nfs/dbraw/zinc/31/49/78/436314978.db2.gz FGQAROHVNLDVMC-CYBMUJFWSA-N 1 1 335.408 0.393 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000043285593 436330397 /nfs/dbraw/zinc/33/03/97/436330397.db2.gz NHRWQQSWRNOBFO-GFCCVEGCSA-N 1 1 325.369 0.264 20 5 ECBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245358 436369789 /nfs/dbraw/zinc/36/97/89/436369789.db2.gz HLCWTLFMQMYPOP-OAHLLOKOSA-N 1 1 339.392 0.599 20 5 ECBDMO COCCOC[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090550971 436432702 /nfs/dbraw/zinc/43/27/02/436432702.db2.gz BAOOJKNRBBRBPO-ZDUSSCGKSA-N 1 1 325.365 0.741 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000051558684 436492343 /nfs/dbraw/zinc/49/23/43/436492343.db2.gz XFHBPSPURHSTIE-UHFFFAOYSA-N 1 1 335.364 0.880 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000105613599 436577002 /nfs/dbraw/zinc/57/70/02/436577002.db2.gz FHWJJVKPPBRACE-UKRRQHHQSA-N 1 1 337.376 0.935 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000064345387 436648442 /nfs/dbraw/zinc/64/84/42/436648442.db2.gz CWDJTWRRPHAHBG-RYUDHWBXSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064345387 436648444 /nfs/dbraw/zinc/64/84/44/436648444.db2.gz CWDJTWRRPHAHBG-RYUDHWBXSA-N 1 1 341.389 0.736 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000067717792 436722514 /nfs/dbraw/zinc/72/25/14/436722514.db2.gz XDMMCJPFWPLCJO-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372315 436750242 /nfs/dbraw/zinc/75/02/42/436750242.db2.gz RVXATSWWUFTPMC-NEPJUHHUSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000273372315 436750244 /nfs/dbraw/zinc/75/02/44/436750244.db2.gz RVXATSWWUFTPMC-NEPJUHHUSA-N 1 1 336.348 0.044 20 5 ECBDMO CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245431054 436761855 /nfs/dbraw/zinc/76/18/55/436761855.db2.gz NWDVHAIYFMTKOK-DZGCQCFKSA-N 1 1 325.413 0.816 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000128041534 436811619 /nfs/dbraw/zinc/81/16/19/436811619.db2.gz RKSFBHFTBXQWHS-TZMCWYRMSA-N 1 1 337.380 0.551 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000128041534 436811622 /nfs/dbraw/zinc/81/16/22/436811622.db2.gz RKSFBHFTBXQWHS-TZMCWYRMSA-N 1 1 337.380 0.551 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000249543469 436822494 /nfs/dbraw/zinc/82/24/94/436822494.db2.gz FQFPWCDYURVYRJ-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000249543469 436822496 /nfs/dbraw/zinc/82/24/96/436822496.db2.gz FQFPWCDYURVYRJ-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274386289 436820814 /nfs/dbraw/zinc/82/08/14/436820814.db2.gz GFHHDBFUFBLLSE-BBRMVZONSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000274386289 436820815 /nfs/dbraw/zinc/82/08/15/436820815.db2.gz GFHHDBFUFBLLSE-BBRMVZONSA-N 1 1 338.360 0.826 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCOC ZINC000130935545 436846320 /nfs/dbraw/zinc/84/63/20/436846320.db2.gz QCHYWIWTBJWRHB-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCOC ZINC000130935545 436846324 /nfs/dbraw/zinc/84/63/24/436846324.db2.gz QCHYWIWTBJWRHB-LBPRGKRZSA-N 1 1 339.396 0.901 20 5 ECBDMO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1CCO ZINC000249573296 436824489 /nfs/dbraw/zinc/82/44/89/436824489.db2.gz OVBFXQBGJHEKQD-BBRMVZONSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1CCO ZINC000249573296 436824491 /nfs/dbraw/zinc/82/44/91/436824491.db2.gz OVBFXQBGJHEKQD-BBRMVZONSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000249554288 436824566 /nfs/dbraw/zinc/82/45/66/436824566.db2.gz JELINYMERWYLSD-KYOSRNDESA-N 1 1 337.376 0.920 20 5 ECBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000249554288 436824569 /nfs/dbraw/zinc/82/45/69/436824569.db2.gz JELINYMERWYLSD-KYOSRNDESA-N 1 1 337.376 0.920 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000274444662 436827919 /nfs/dbraw/zinc/82/79/19/436827919.db2.gz VDDSSOJKHSGQIT-UHFFFAOYSA-N 1 1 347.393 0.196 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000274968622 436901674 /nfs/dbraw/zinc/90/16/74/436901674.db2.gz HVHYLQQCGARIFG-CYBMUJFWSA-N 1 1 346.387 0.940 20 5 ECBDMO C[NH2+][C@H](C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000262029274 436902753 /nfs/dbraw/zinc/90/27/53/436902753.db2.gz DVSSWZVBHFHWPZ-AWEZNQCLSA-N 1 1 333.348 0.914 20 5 ECBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1CC(C)(C)O ZINC000275453823 436970126 /nfs/dbraw/zinc/97/01/26/436970126.db2.gz GVBYISDKODHQOF-SNVBAGLBSA-N 1 1 337.380 0.370 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262371378 436928863 /nfs/dbraw/zinc/92/88/63/436928863.db2.gz LTEVDOCEZNBMGB-LBPRGKRZSA-N 1 1 347.375 0.213 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOCCO ZINC000282636667 437017697 /nfs/dbraw/zinc/01/76/97/437017697.db2.gz YZMVMSZNQVBFQT-NSHDSACASA-N 1 1 341.364 0.871 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOCCO ZINC000282636667 437017703 /nfs/dbraw/zinc/01/77/03/437017703.db2.gz YZMVMSZNQVBFQT-NSHDSACASA-N 1 1 341.364 0.871 20 5 ECBDMO CNS(=O)(=O)c1ccc(NCC[N@@H+](C)CCOC)c([N+](=O)[O-])c1 ZINC000263793109 436987605 /nfs/dbraw/zinc/98/76/05/436987605.db2.gz OAQBZBQZDXOALE-UHFFFAOYSA-N 1 1 346.409 0.493 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000275749664 437009485 /nfs/dbraw/zinc/00/94/85/437009485.db2.gz NMAUFKAWOWUXKV-LBPRGKRZSA-N 1 1 337.380 0.971 20 5 ECBDMO CC[N@H+]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000264664439 437060561 /nfs/dbraw/zinc/06/05/61/437060561.db2.gz RVKBJAOCBVAZGB-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO NS(=O)(=O)c1ccc(N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000299325841 437070659 /nfs/dbraw/zinc/07/06/59/437070659.db2.gz JQMYZWYIQYTVDB-UHFFFAOYSA-N 1 1 326.378 0.527 20 5 ECBDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650202 437085485 /nfs/dbraw/zinc/08/54/85/437085485.db2.gz UPYBPBBLBMRIIK-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO CC[N@H+]1CCO[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650202 437085488 /nfs/dbraw/zinc/08/54/88/437085488.db2.gz UPYBPBBLBMRIIK-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853067 437090815 /nfs/dbraw/zinc/09/08/15/437090815.db2.gz LJBWCOJXBCHMLX-OAHLLOKOSA-N 1 1 336.440 0.893 20 5 ECBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174823671 437088029 /nfs/dbraw/zinc/08/80/29/437088029.db2.gz QWOXTDMZXHBSEB-LBPRGKRZSA-N 1 1 345.425 0.585 20 5 ECBDMO C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000302476816 437143760 /nfs/dbraw/zinc/14/37/60/437143760.db2.gz WUNISMPHBRYIDT-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@H]1CN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302476816 437143764 /nfs/dbraw/zinc/14/37/64/437143764.db2.gz WUNISMPHBRYIDT-LBPRGKRZSA-N 1 1 348.403 0.990 20 5 ECBDMO CCN(C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)S(C)(=O)=O ZINC000176237699 437137686 /nfs/dbraw/zinc/13/76/86/437137686.db2.gz GBBSLZIHUWLAQM-UHFFFAOYSA-N 1 1 345.425 0.537 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000287301290 437175322 /nfs/dbraw/zinc/17/53/22/437175322.db2.gz VESWDZYMNIYFNT-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO CC(C)OCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266791839 437243141 /nfs/dbraw/zinc/24/31/41/437243141.db2.gz FCGUBYOXZQSTMF-UHFFFAOYSA-N 1 1 325.369 0.361 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000266815345 437249098 /nfs/dbraw/zinc/24/90/98/437249098.db2.gz WHHBCDOEQRIDPT-CQSZACIVSA-N 1 1 335.408 0.682 20 5 ECBDMO COC(=O)C[C@@H]1CSCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266958169 437269877 /nfs/dbraw/zinc/26/98/77/437269877.db2.gz VYNPXNIRRSWGAM-ZYHUDNBSSA-N 1 1 344.393 0.133 20 5 ECBDMO CC[N@H+](CCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000266880616 437260525 /nfs/dbraw/zinc/26/05/25/437260525.db2.gz WRKJQUDOPUZYLG-UHFFFAOYSA-N 1 1 325.321 0.966 20 5 ECBDMO CC[N@@H+](CCCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000266880616 437260528 /nfs/dbraw/zinc/26/05/28/437260528.db2.gz WRKJQUDOPUZYLG-UHFFFAOYSA-N 1 1 325.321 0.966 20 5 ECBDMO O=C1C[C@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858125 437350390 /nfs/dbraw/zinc/35/03/90/437350390.db2.gz KYUYBUJNUOAWDR-XJKSGUPXSA-N 1 1 335.360 0.547 20 5 ECBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000278921953 437355470 /nfs/dbraw/zinc/35/54/70/437355470.db2.gz UBOVWGYTJRRSQQ-UHFFFAOYSA-N 1 1 337.380 0.636 20 5 ECBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000278921953 437355474 /nfs/dbraw/zinc/35/54/74/437355474.db2.gz UBOVWGYTJRRSQQ-UHFFFAOYSA-N 1 1 337.380 0.636 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279129816 437377347 /nfs/dbraw/zinc/37/73/47/437377347.db2.gz VWKKOFMTDLVTHK-OAHLLOKOSA-N 1 1 334.332 0.648 20 5 ECBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170324 437378043 /nfs/dbraw/zinc/37/80/43/437378043.db2.gz JVWBJISDVPWBJZ-IAQYHMDHSA-N 1 1 346.387 0.924 20 5 ECBDMO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000187724998 437510772 /nfs/dbraw/zinc/51/07/72/437510772.db2.gz YODXPWAKSLADKN-KBPBESRZSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187724998 437510785 /nfs/dbraw/zinc/51/07/85/437510785.db2.gz YODXPWAKSLADKN-KBPBESRZSA-N 1 1 339.392 0.333 20 5 ECBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187724998 437510788 /nfs/dbraw/zinc/51/07/88/437510788.db2.gz YODXPWAKSLADKN-KBPBESRZSA-N 1 1 339.392 0.333 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])n1 ZINC000330459419 437516827 /nfs/dbraw/zinc/51/68/27/437516827.db2.gz UDCAPLDNQWKFRZ-NSHDSACASA-N 1 1 345.425 0.821 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361558267 437671245 /nfs/dbraw/zinc/67/12/45/437671245.db2.gz VYVJGSAOTCGTJJ-HNNXBMFYSA-N 1 1 336.348 0.739 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361558267 437671250 /nfs/dbraw/zinc/67/12/50/437671250.db2.gz VYVJGSAOTCGTJJ-HNNXBMFYSA-N 1 1 336.348 0.739 20 5 ECBDMO Cc1cc[nH+]c(N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)c1 ZINC000361928197 437700676 /nfs/dbraw/zinc/70/06/76/437700676.db2.gz SNPHSRZBLBFWRX-UHFFFAOYSA-N 1 1 331.336 0.239 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)n1 ZINC000331292323 437734715 /nfs/dbraw/zinc/73/47/15/437734715.db2.gz WWVJOMAKKMHPLM-UHFFFAOYSA-N 1 1 338.412 0.567 20 5 ECBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362606330 437745771 /nfs/dbraw/zinc/74/57/71/437745771.db2.gz NHXJMUSGHDJXMM-PWSUYJOCSA-N 1 1 327.385 0.387 20 5 ECBDMO CC(=O)NCC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347629929 437920838 /nfs/dbraw/zinc/92/08/38/437920838.db2.gz AHFICRHHTNGJRY-UKRRQHHQSA-N 1 1 339.396 0.390 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000366104822 438018591 /nfs/dbraw/zinc/01/85/91/438018591.db2.gz RUTPABAKBZPEQB-GFCCVEGCSA-N 1 1 343.409 0.291 20 5 ECBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](N3CCCS3(=O)=O)C2)n1 ZINC000366104822 438018594 /nfs/dbraw/zinc/01/85/94/438018594.db2.gz RUTPABAKBZPEQB-GFCCVEGCSA-N 1 1 343.409 0.291 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429388 438072642 /nfs/dbraw/zinc/07/26/42/438072642.db2.gz FOQGRZRTPLHYOW-WQAKAFBOSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366429388 438072647 /nfs/dbraw/zinc/07/26/47/438072647.db2.gz FOQGRZRTPLHYOW-WQAKAFBOSA-N 1 1 346.343 0.516 20 5 ECBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372346454 438075782 /nfs/dbraw/zinc/07/57/82/438075782.db2.gz NOVVEKBEQRVVDA-YUTCNCBUSA-N 1 1 334.376 0.875 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366759150 438122334 /nfs/dbraw/zinc/12/23/34/438122334.db2.gz PLHMAJSZHYDMBG-ZIAGYGMSSA-N 1 1 348.359 0.513 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000358057183 438134393 /nfs/dbraw/zinc/13/43/93/438134393.db2.gz OTSTYJGOADAPJV-MRXNPFEDSA-N 1 1 345.359 0.577 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358189644 438175784 /nfs/dbraw/zinc/17/57/84/438175784.db2.gz BBCMHHRDJQEEOL-ZDUSSCGKSA-N 1 1 329.378 0.248 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000358202230 438181017 /nfs/dbraw/zinc/18/10/17/438181017.db2.gz RDHACWDHYSODSR-GFCCVEGCSA-N 1 1 349.796 0.593 20 5 ECBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111402 438167014 /nfs/dbraw/zinc/16/70/14/438167014.db2.gz XBNCJBUUSURUSU-JQWIXIFHSA-N 1 1 336.348 0.679 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000367111402 438167019 /nfs/dbraw/zinc/16/70/19/438167019.db2.gz XBNCJBUUSURUSU-JQWIXIFHSA-N 1 1 336.348 0.679 20 5 ECBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1cccnc1 ZINC000376740129 438291047 /nfs/dbraw/zinc/29/10/47/438291047.db2.gz QOHOLNNBTDEQGN-AAEUAGOBSA-N 1 1 329.364 0.889 20 5 ECBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3C(=O)NC(=O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368639157 438357365 /nfs/dbraw/zinc/35/73/65/438357365.db2.gz SJXFVPUQESQMCF-NWDGAFQWSA-N 1 1 349.343 0.577 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000368784654 438379410 /nfs/dbraw/zinc/37/94/10/438379410.db2.gz PEBAKMBABMLDOY-GFCCVEGCSA-N 1 1 337.380 0.503 20 5 ECBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368811958 438381356 /nfs/dbraw/zinc/38/13/56/438381356.db2.gz CWDJTWRRPHAHBG-NEPJUHHUSA-N 1 1 341.389 0.736 20 5 ECBDMO CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Br)c1=O ZINC000388369872 438424777 /nfs/dbraw/zinc/42/47/77/438424777.db2.gz PHEFUAYPWCGWQW-VIFPVBQESA-N 1 1 334.170 0.832 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)S(C)(=O)=O ZINC000352550685 438437309 /nfs/dbraw/zinc/43/73/09/438437309.db2.gz PBVKJPZANZCICJ-LBPRGKRZSA-N 1 1 345.425 0.395 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000369452261 438478108 /nfs/dbraw/zinc/47/81/08/438478108.db2.gz NXLVKTUICYKRKQ-AWEZNQCLSA-N 1 1 348.359 0.942 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000369287797 438447281 /nfs/dbraw/zinc/44/72/81/438447281.db2.gz KTGPIOAIBSAYFK-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000369287797 438447285 /nfs/dbraw/zinc/44/72/85/438447285.db2.gz KTGPIOAIBSAYFK-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO C[C@H](C(=O)N1CCc2ncc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC000408202672 438533809 /nfs/dbraw/zinc/53/38/09/438533809.db2.gz NLLAMTAEMZJGQZ-GFCCVEGCSA-N 1 1 333.392 0.510 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000370044919 438545898 /nfs/dbraw/zinc/54/58/98/438545898.db2.gz IGOJVLJAPOLUFH-LBPRGKRZSA-N 1 1 337.380 0.399 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000370044919 438545902 /nfs/dbraw/zinc/54/59/02/438545902.db2.gz IGOJVLJAPOLUFH-LBPRGKRZSA-N 1 1 337.380 0.399 20 5 ECBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000408376175 438564226 /nfs/dbraw/zinc/56/42/26/438564226.db2.gz VWHBOWBYUQWBJE-CQSZACIVSA-N 1 1 348.407 0.345 20 5 ECBDMO C[C@](O)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000440792388 438565392 /nfs/dbraw/zinc/56/53/92/438565392.db2.gz LZSPCJNODRIBNU-HNNXBMFYSA-N 1 1 338.364 0.800 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000423537414 438685074 /nfs/dbraw/zinc/68/50/74/438685074.db2.gz CWXFIDSQGZDACE-CYBMUJFWSA-N 1 1 346.387 0.940 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000451672158 438706773 /nfs/dbraw/zinc/70/67/73/438706773.db2.gz RRYIYNUITDFYOY-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000451672158 438706776 /nfs/dbraw/zinc/70/67/76/438706776.db2.gz RRYIYNUITDFYOY-GFCCVEGCSA-N 1 1 343.405 0.720 20 5 ECBDMO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000548713090 438731723 /nfs/dbraw/zinc/73/17/23/438731723.db2.gz WIGLLIHVKYQYPF-NSHDSACASA-N 1 1 336.396 0.185 20 5 ECBDMO Cc1n[nH]c(C(=O)NC2CCC([NH+]3CCNCC3)CC2)c1[N+](=O)[O-] ZINC000576702237 438795662 /nfs/dbraw/zinc/79/56/62/438795662.db2.gz VXCYITFESXFZAI-UHFFFAOYSA-N 1 1 336.396 0.573 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000456160050 438760283 /nfs/dbraw/zinc/76/02/83/438760283.db2.gz GGNVDJDUAOWULA-OSAQELSMSA-N 1 1 346.387 0.876 20 5 ECBDMO Nc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cc(F)cc1[N+](=O)[O-] ZINC000588860197 438843609 /nfs/dbraw/zinc/84/36/09/438843609.db2.gz GBQGBFWFXUBFBT-MNOVXSKESA-N 1 1 338.339 0.597 20 5 ECBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601446334 438898818 /nfs/dbraw/zinc/89/88/18/438898818.db2.gz ZNGGDJPXXLUFCN-LLVKDONJSA-N 1 1 326.378 0.705 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590279223 438905359 /nfs/dbraw/zinc/90/53/59/438905359.db2.gz ANJXTRRGJPZLPF-GXFFZTMASA-N 1 1 348.359 0.704 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(CN2CC[N@@H+](CCO)[C@@H](C)C2)c1 ZINC000589514676 438875727 /nfs/dbraw/zinc/87/57/27/438875727.db2.gz DVYUOHPJJZOTKY-LBPRGKRZSA-N 1 1 337.376 0.880 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589925728 438891528 /nfs/dbraw/zinc/89/15/28/438891528.db2.gz PDBIMKJJFWZXAE-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000590447557 438925933 /nfs/dbraw/zinc/92/59/33/438925933.db2.gz YUZOVHOGOBOMBH-UKRRQHHQSA-N 1 1 346.387 0.877 20 5 ECBDMO COC(=O)[C@@H]1CN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@@H+](C)C1 ZINC000591189340 438988520 /nfs/dbraw/zinc/98/85/20/438988520.db2.gz JNCVMAHRXNFRSK-NSHDSACASA-N 1 1 338.364 0.210 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)c1 ZINC000602193785 439037546 /nfs/dbraw/zinc/03/75/46/439037546.db2.gz HHFXLQQFOJHTQV-UHFFFAOYSA-N 1 1 334.376 0.749 20 5 ECBDMO COc1c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000597624727 439140945 /nfs/dbraw/zinc/14/09/45/439140945.db2.gz KJFNDJPZXIKKDL-LBPRGKRZSA-N 1 1 334.376 0.723 20 5 ECBDMO Cc1cc(OCC(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)ccc1[N+](=O)[O-] ZINC000597624950 439141906 /nfs/dbraw/zinc/14/19/06/439141906.db2.gz MHVZGIGFPHTZLQ-CQSZACIVSA-N 1 1 348.403 0.788 20 5 ECBDMO COC(=O)[C@H]1CSCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602845772 439142703 /nfs/dbraw/zinc/14/27/03/439142703.db2.gz LRGUKIKKUQKCNJ-LLVKDONJSA-N 1 1 328.394 0.938 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000597627067 439143462 /nfs/dbraw/zinc/14/34/62/439143462.db2.gz XLUAUKIFVSTXDH-GFCCVEGCSA-N 1 1 348.359 0.443 20 5 ECBDMO COCCOCC[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602867176 439148696 /nfs/dbraw/zinc/14/86/96/439148696.db2.gz DIQZPYJRMWBHNW-UHFFFAOYSA-N 1 1 341.412 0.380 20 5 ECBDMO O=C1CCCN1[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000525784092 439216601 /nfs/dbraw/zinc/21/66/01/439216601.db2.gz ZEEXBQRKNGLGSG-OCCSQVGLSA-N 1 1 337.380 0.239 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000603740143 439281122 /nfs/dbraw/zinc/28/11/22/439281122.db2.gz PJECVMKEJIIZCX-CYBMUJFWSA-N 1 1 349.391 0.312 20 5 ECBDMO COCC[N@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000593100884 439341243 /nfs/dbraw/zinc/34/12/43/439341243.db2.gz LFRFUEJZEHCRIT-UHFFFAOYSA-N 1 1 338.408 0.799 20 5 ECBDMO CN(C)S(=O)(=O)N1CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000599093516 439354706 /nfs/dbraw/zinc/35/47/06/439354706.db2.gz VUDPQSWHZCPBTE-CYBMUJFWSA-N 1 1 340.405 0.662 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000599260771 439404081 /nfs/dbraw/zinc/40/40/81/439404081.db2.gz FFLUZIRKAOFPTJ-GHMZBOCLSA-N 1 1 343.409 0.433 20 5 ECBDMO C[C@@](O)(CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000491942695 439476957 /nfs/dbraw/zinc/47/69/57/439476957.db2.gz WMJOMWFZMTZQAQ-KEGWNNHHSA-N 1 1 349.387 0.807 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643675 439523688 /nfs/dbraw/zinc/52/36/88/439523688.db2.gz CTCRBCFNFBMBQY-JGZJWPJOSA-N 1 1 336.348 0.738 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643675 439523692 /nfs/dbraw/zinc/52/36/92/439523692.db2.gz CTCRBCFNFBMBQY-JGZJWPJOSA-N 1 1 336.348 0.738 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594198956 439526593 /nfs/dbraw/zinc/52/65/93/439526593.db2.gz WMEULGDLIZIONK-ZIAGYGMSSA-N 1 1 334.376 0.890 20 5 ECBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599648882 439527211 /nfs/dbraw/zinc/52/72/11/439527211.db2.gz XWFWGTOSMLHMDH-SNVBAGLBSA-N 1 1 328.394 0.913 20 5 ECBDMO C[N@H+]1CCC[C@H](NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000609257747 439556237 /nfs/dbraw/zinc/55/62/37/439556237.db2.gz KZRHTMNWBZIKNT-JTQLQIEISA-N 1 1 346.343 0.401 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCOCC2)C1 ZINC000600069781 439609172 /nfs/dbraw/zinc/60/91/72/439609172.db2.gz SLEZRFYKSTUVFT-UHFFFAOYSA-N 1 1 334.376 0.986 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000610390307 439613162 /nfs/dbraw/zinc/61/31/62/439613162.db2.gz JFSQXZDMIMJTFW-MRXNPFEDSA-N 1 1 332.360 0.959 20 5 ECBDMO Cc1ncc(C[NH2+]CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000600131825 439616429 /nfs/dbraw/zinc/61/64/29/439616429.db2.gz UXIGJEZUMDIPHB-UHFFFAOYSA-N 1 1 340.361 0.959 20 5 ECBDMO Cc1c[nH]c(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000594916774 439642312 /nfs/dbraw/zinc/64/23/12/439642312.db2.gz CBLOCBPZHXWICC-UHFFFAOYSA-N 1 1 339.377 0.694 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C(C)(C)C1 ZINC000595127896 439658235 /nfs/dbraw/zinc/65/82/35/439658235.db2.gz TXIJIXUSUNFRLA-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO CN1CC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000573822530 439669511 /nfs/dbraw/zinc/66/95/11/439669511.db2.gz ORQMRLCYRWTYJG-LBPRGKRZSA-N 1 1 327.362 0.189 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000600545978 439675727 /nfs/dbraw/zinc/67/57/27/439675727.db2.gz INXHYDQPGGAGJQ-CQSZACIVSA-N 1 1 348.403 0.991 20 5 ECBDMO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000574188822 439688180 /nfs/dbraw/zinc/68/81/80/439688180.db2.gz JAHDZMPCZGUSJU-ZDUSSCGKSA-N 1 1 346.387 0.831 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC000611334841 439692408 /nfs/dbraw/zinc/69/24/08/439692408.db2.gz PKENHZQJYHAKRG-GFCCVEGCSA-N 1 1 337.380 0.655 20 5 ECBDMO COC(=O)c1cnc(N2CC[NH+](C(C)(C)CO)CC2)c([N+](=O)[O-])c1 ZINC000616371781 439816596 /nfs/dbraw/zinc/81/65/96/439816596.db2.gz OLXIUNJACOAQMB-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000617405656 439876855 /nfs/dbraw/zinc/87/68/55/439876855.db2.gz JDUPFBNQNXESND-YPMHNXCESA-N 1 1 337.380 0.482 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)n1 ZINC000617410459 439877655 /nfs/dbraw/zinc/87/76/55/439877655.db2.gz RLVXRUYXGUXEJK-UHFFFAOYSA-N 1 1 325.369 0.340 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)n1 ZINC000617410459 439877660 /nfs/dbraw/zinc/87/76/60/439877660.db2.gz RLVXRUYXGUXEJK-UHFFFAOYSA-N 1 1 325.369 0.340 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC[N@@H+](C)CC2)n1 ZINC000617405681 439878735 /nfs/dbraw/zinc/87/87/35/439878735.db2.gz RAPJMHJSBJLQIO-UHFFFAOYSA-N 1 1 338.412 0.569 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)n1 ZINC000617405681 439878744 /nfs/dbraw/zinc/87/87/44/439878744.db2.gz RAPJMHJSBJLQIO-UHFFFAOYSA-N 1 1 338.412 0.569 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCN(C)CC2)n1 ZINC000617405681 439878751 /nfs/dbraw/zinc/87/87/51/439878751.db2.gz RAPJMHJSBJLQIO-UHFFFAOYSA-N 1 1 338.412 0.569 20 5 ECBDMO C[C@H](C(=O)N(C)CC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617834765 439982112 /nfs/dbraw/zinc/98/21/12/439982112.db2.gz DMNKDJGHIQVOIX-ZDUSSCGKSA-N 1 1 348.403 0.931 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[NH+]1CCN(C)CC1 ZINC000347515704 321242786 /nfs/dbraw/zinc/24/27/86/321242786.db2.gz GZWXCGVJCSOQLR-GFCCVEGCSA-N 1 1 338.412 0.330 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000347641930 321246916 /nfs/dbraw/zinc/24/69/16/321246916.db2.gz AFYFLEDGJBNQMM-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000545304950 322108717 /nfs/dbraw/zinc/10/87/17/322108717.db2.gz MYGNUFQDYSCRDR-UHFFFAOYSA-N 1 1 339.348 0.410 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000563085539 322296878 /nfs/dbraw/zinc/29/68/78/322296878.db2.gz NLOXAOJWESMAPU-GAJTVXKRSA-N 1 1 339.348 0.934 20 5 ECBDMO NC(=O)c1c[nH+]ccc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000565879724 322484404 /nfs/dbraw/zinc/48/44/04/322484404.db2.gz OYHRNRXFXMTFFJ-UHFFFAOYSA-N 1 1 328.332 0.810 20 5 ECBDMO C[N@H+](CCN1CCCS1(=O)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750071797 579347048 /nfs/dbraw/zinc/34/70/48/579347048.db2.gz MYXFIMNKSOZKOJ-AWEZNQCLSA-N 1 1 343.405 0.596 20 5 ECBDMO C[N@@H+](CCN1CCCS1(=O)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750071797 579347050 /nfs/dbraw/zinc/34/70/50/579347050.db2.gz MYXFIMNKSOZKOJ-AWEZNQCLSA-N 1 1 343.405 0.596 20 5 ECBDMO CNS(=O)(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000729266753 578294679 /nfs/dbraw/zinc/29/46/79/578294679.db2.gz GTDMPSOYQJKDND-UHFFFAOYSA-N 1 1 342.421 0.656 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000736145485 578410998 /nfs/dbraw/zinc/41/09/98/578410998.db2.gz CDXOIEYWEZDJBJ-QWRGUYRKSA-N 1 1 347.379 0.666 20 5 ECBDMO C[N@H+](CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSC1 ZINC000767117999 579101521 /nfs/dbraw/zinc/10/15/21/579101521.db2.gz VNOCCXYMZFTCNX-LBPRGKRZSA-N 1 1 341.389 0.737 20 5 ECBDMO C[N@@H+](CC(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCSC1 ZINC000767117999 579101522 /nfs/dbraw/zinc/10/15/22/579101522.db2.gz VNOCCXYMZFTCNX-LBPRGKRZSA-N 1 1 341.389 0.737 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581798 579284723 /nfs/dbraw/zinc/28/47/23/579284723.db2.gz MBUSFOYTGQUQIS-JSGCOSHPSA-N 1 1 343.405 0.642 20 5 ECBDMO CS(=O)(=O)N[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776581798 579284724 /nfs/dbraw/zinc/28/47/24/579284724.db2.gz MBUSFOYTGQUQIS-JSGCOSHPSA-N 1 1 343.405 0.642 20 5 ECBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2nn[nH]n2)c1 ZINC000738373502 579625010 /nfs/dbraw/zinc/62/50/10/579625010.db2.gz DWCXUFACBKJVSU-MWLCHTKSSA-N 1 1 346.351 0.445 20 5 ECBDMO COc1cc(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567066 586256559 /nfs/dbraw/zinc/25/65/59/586256559.db2.gz YVPURGRNZJBBEA-RISCZKNCSA-N 1 1 336.392 0.968 20 5 ECBDMO C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000899943279 586514535 /nfs/dbraw/zinc/51/45/35/586514535.db2.gz ZTMGSAODNGTGQQ-WBVHZDCISA-N 1 1 348.403 0.699 20 5 ECBDMO O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC000839657663 586886130 /nfs/dbraw/zinc/88/61/30/586886130.db2.gz DPVCJWVVAVLGMZ-HZPDHXFCSA-N 1 1 333.388 0.925 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@H](CO)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000808750491 587160865 /nfs/dbraw/zinc/16/08/65/587160865.db2.gz KQMSCKWUNKBFNQ-QMTHXVAHSA-N 1 1 341.339 0.738 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000816952329 587329846 /nfs/dbraw/zinc/32/98/46/587329846.db2.gz IDCWGUTZZFDTMQ-OCCSQVGLSA-N 1 1 333.344 0.949 20 5 ECBDMO CC[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821164293 587576277 /nfs/dbraw/zinc/57/62/77/587576277.db2.gz AOYNXZZQWNKKBQ-SNVBAGLBSA-N 1 1 332.368 0.948 20 5 ECBDMO COCC[N@H+]1CCC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821691052 587623052 /nfs/dbraw/zinc/62/30/52/587623052.db2.gz GXMCVSLHLDVKEA-JTQLQIEISA-N 1 1 348.367 0.693 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826974527 588093490 /nfs/dbraw/zinc/09/34/90/588093490.db2.gz JHFVPOVMVSENBF-UHFFFAOYSA-N 1 1 328.413 0.444 20 5 ECBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000829015255 588214990 /nfs/dbraw/zinc/21/49/90/588214990.db2.gz CMLFFRBHGAGEAN-TXEJJXNPSA-N 1 1 336.392 0.846 20 5 ECBDMO O=C(CC[N@@H+]1CCC(CO)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852629222 589503741 /nfs/dbraw/zinc/50/37/41/589503741.db2.gz GSVVEBJLFOCQST-UHFFFAOYSA-N 1 1 341.339 0.739 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])CC[C@H]21 ZINC000867811068 589846969 /nfs/dbraw/zinc/84/69/69/589846969.db2.gz NLIPJQICVYOOFZ-GHMZBOCLSA-N 1 1 326.378 0.705 20 5 ECBDMO CNc1c(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714158 589878312 /nfs/dbraw/zinc/87/83/12/589878312.db2.gz IOWANYUGDOTNRV-NWDGAFQWSA-N 1 1 334.376 0.918 20 5 ECBDMO O=C(NCC[N@H+]1CC[C@H](O)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863832858 590041778 /nfs/dbraw/zinc/04/17/78/590041778.db2.gz HCUHHKRHRNEZFX-LBPRGKRZSA-N 1 1 329.303 0.869 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863832858 590041780 /nfs/dbraw/zinc/04/17/80/590041780.db2.gz HCUHHKRHRNEZFX-LBPRGKRZSA-N 1 1 329.303 0.869 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000880165885 590374751 /nfs/dbraw/zinc/37/47/51/590374751.db2.gz XARAYGGCAVBBIX-UHFFFAOYSA-N 1 1 336.348 0.040 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886043806 590788663 /nfs/dbraw/zinc/78/86/63/590788663.db2.gz KKKSBZZALNBMAU-CQSZACIVSA-N 1 1 333.392 0.728 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000137840696 590836367 /nfs/dbraw/zinc/83/63/67/590836367.db2.gz SUGXMIVJQHOTEO-UHFFFAOYSA-N 1 1 336.348 0.040 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935399012 611367916 /nfs/dbraw/zinc/36/79/16/611367916.db2.gz DSIUUFZVNJTCEI-OAHLLOKOSA-N 1 1 325.340 0.849 20 5 ECBDMO C[N@@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000931403083 611536271 /nfs/dbraw/zinc/53/62/71/611536271.db2.gz IWGUXMCOUBFDJR-CABCVRRESA-N 1 1 334.376 0.308 20 5 ECBDMO C[N@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1CO ZINC000931403083 611536273 /nfs/dbraw/zinc/53/62/73/611536273.db2.gz IWGUXMCOUBFDJR-CABCVRRESA-N 1 1 334.376 0.308 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000913548529 609690893 /nfs/dbraw/zinc/69/08/93/609690893.db2.gz NSOUJFYXMJKPCK-LBPRGKRZSA-N 1 1 327.768 0.926 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1CO ZINC000913548529 609690894 /nfs/dbraw/zinc/69/08/94/609690894.db2.gz NSOUJFYXMJKPCK-LBPRGKRZSA-N 1 1 327.768 0.926 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000912744232 609998767 /nfs/dbraw/zinc/99/87/67/609998767.db2.gz RJTLOCYROTULCS-LBPRGKRZSA-N 1 1 327.768 0.926 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](CO)C1 ZINC000912744232 609998768 /nfs/dbraw/zinc/99/87/68/609998768.db2.gz RJTLOCYROTULCS-LBPRGKRZSA-N 1 1 327.768 0.926 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001022953375 736312044 /nfs/dbraw/zinc/31/20/44/736312044.db2.gz PCMHDZLIYKASLO-TXEJJXNPSA-N 1 1 330.348 0.692 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776062 739944897 /nfs/dbraw/zinc/94/48/97/739944897.db2.gz VDNIQJYOLJKPTE-LJIZCISZSA-N 1 1 337.420 0.905 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](CCCC3CCOCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776062 739944899 /nfs/dbraw/zinc/94/48/99/739944899.db2.gz VDNIQJYOLJKPTE-LJIZCISZSA-N 1 1 337.420 0.905 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCC3CCOCC3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025776062 739944901 /nfs/dbraw/zinc/94/49/01/739944901.db2.gz VDNIQJYOLJKPTE-LJIZCISZSA-N 1 1 337.420 0.905 20 5 ECBDMO Cc1nc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001025776118 739945012 /nfs/dbraw/zinc/94/50/12/739945012.db2.gz ZCAOSIKLEOWNKT-RGDJUOJXSA-N 1 1 336.417 0.706 20 5 ECBDMO Cc1nc(CC[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001025776118 739945014 /nfs/dbraw/zinc/94/50/14/739945014.db2.gz ZCAOSIKLEOWNKT-RGDJUOJXSA-N 1 1 336.417 0.706 20 5 ECBDMO Cc1nc(CC[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])cs1 ZINC001025776118 739945019 /nfs/dbraw/zinc/94/50/19/739945019.db2.gz ZCAOSIKLEOWNKT-RGDJUOJXSA-N 1 1 336.417 0.706 20 5 ECBDMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001026144990 740418462 /nfs/dbraw/zinc/41/84/62/740418462.db2.gz GFYYZPSIFCOBPN-VIKVFOODSA-N 1 1 342.359 0.433 20 5 ECBDMO COCC(=O)N1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985189388 747531049 /nfs/dbraw/zinc/53/10/49/747531049.db2.gz OFSVBLJXXNYCPO-UHFFFAOYSA-N 1 1 325.369 0.398 20 5 ECBDMO COCC(=O)N1CCC([N@@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000985189388 747531055 /nfs/dbraw/zinc/53/10/55/747531055.db2.gz OFSVBLJXXNYCPO-UHFFFAOYSA-N 1 1 325.369 0.398 20 5 ECBDMO Cc1ccccc1CN(C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126942564 756912761 /nfs/dbraw/zinc/91/27/61/756912761.db2.gz BMOIAPQFMAFCOX-HUUCEWRRSA-N 1 1 348.403 0.324 20 5 ECBDMO O=C(CC[NH+]1CCCCC1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114611 756951586 /nfs/dbraw/zinc/95/15/86/756951586.db2.gz RRTQOVLYJZAFPW-ZIAGYGMSSA-N 1 1 338.408 0.198 20 5 ECBDMO O=C(c1ccc2c[nH+]cn2c1)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001011114886 756952636 /nfs/dbraw/zinc/95/26/36/756952636.db2.gz ZRMIRNVSGYCOIQ-ZIAGYGMSSA-N 1 1 343.343 0.284 20 5 ECBDMO C[NH+]1CCC(CC(=O)N2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001011115674 756954889 /nfs/dbraw/zinc/95/48/89/756954889.db2.gz QBCMHPNAPLZENT-ZIAGYGMSSA-N 1 1 338.408 0.054 20 5 ECBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063906 758226117 /nfs/dbraw/zinc/22/61/17/758226117.db2.gz OFIVTSOBKSZZCM-BAESOJJISA-N 1 1 333.392 0.621 20 5 ECBDMO CCC[N@@H+](C)CC(=O)N(CC)CCNc1ncc([N+](=O)[O-])c(N)n1 ZINC001106809119 769077608 /nfs/dbraw/zinc/07/76/08/769077608.db2.gz AKHCLYUAUAWRCZ-UHFFFAOYSA-N 1 1 339.400 0.569 20 5 ECBDMO CC(F)(F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574894 769159787 /nfs/dbraw/zinc/15/97/87/769159787.db2.gz CHDNIFXEKIPJIG-GHMZBOCLSA-N 1 1 348.350 0.004 20 5 ECBDMO Cn1ncc(C(=O)NCC2C[NH+](Cc3ccccc3[N+](=O)[O-])C2)c1N ZINC001031628220 771530114 /nfs/dbraw/zinc/53/01/14/771530114.db2.gz BPUQNGHOYUFVQG-UHFFFAOYSA-N 1 1 344.375 0.772 20 5 ECBDMO Cn1ccc(C[NH+]2CCC(C)(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1=O ZINC001045436055 775610103 /nfs/dbraw/zinc/61/01/03/775610103.db2.gz FUPDJVAIRVYSEQ-ZIAGYGMSSA-N 1 1 348.403 0.521 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001079746920 776794134 /nfs/dbraw/zinc/79/41/34/776794134.db2.gz NDJIKMZMOIIFGF-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO C[N@@H+](CCNC(=O)c1ccc(=O)[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001266253358 835559059 /nfs/dbraw/zinc/55/90/59/835559059.db2.gz WFRJWPNKBGKQCJ-UHFFFAOYSA-N 1 1 331.332 0.952 20 5 ECBDMO CNC(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001266901158 836455040 /nfs/dbraw/zinc/45/50/40/836455040.db2.gz BAONXAAOFPWURD-NHAGDIPZSA-N 1 1 347.375 0.070 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000066620688 215060158 /nfs/dbraw/zinc/06/01/58/215060158.db2.gz NXNPDZLXOZTBTL-GFCCVEGCSA-N 1 1 346.387 0.925 20 5 ECBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000184081214 235301938 /nfs/dbraw/zinc/30/19/38/235301938.db2.gz KULXDQYXYGADHL-LBPRGKRZSA-N 1 1 335.408 0.933 20 5 ECBDMO C[C@](O)(CNc1c(C(N)=O)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000420593827 209396351 /nfs/dbraw/zinc/39/63/51/209396351.db2.gz CHQGLOKZYHODSP-HNNXBMFYSA-N 1 1 338.364 0.189 20 5 ECBDMO C[NH+](C)[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000131218202 223214492 /nfs/dbraw/zinc/21/44/92/223214492.db2.gz MGIJVHWPGAPIRJ-LBPRGKRZSA-N 1 1 336.352 0.986 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000193177065 240047534 /nfs/dbraw/zinc/04/75/34/240047534.db2.gz GDOVWJUCJWIQQX-UHFFFAOYSA-N 1 1 329.378 0.978 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000193536848 240203352 /nfs/dbraw/zinc/20/33/52/240203352.db2.gz IQYUCOGEEUORKS-UHFFFAOYSA-N 1 1 326.378 0.550 20 5 ECBDMO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000246736868 243305495 /nfs/dbraw/zinc/30/54/95/243305495.db2.gz FXZFZOJUUNSXKQ-NWDGAFQWSA-N 1 1 325.369 0.095 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000111269964 220129828 /nfs/dbraw/zinc/12/98/28/220129828.db2.gz XRKOIVAVFZZBCB-CYBMUJFWSA-N 1 1 346.387 0.942 20 5 ECBDMO CNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000111269964 220129831 /nfs/dbraw/zinc/12/98/31/220129831.db2.gz XRKOIVAVFZZBCB-CYBMUJFWSA-N 1 1 346.387 0.942 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000450623280 211335717 /nfs/dbraw/zinc/33/57/17/211335717.db2.gz MCXSYTVHZIANKK-MRXNPFEDSA-N 1 1 335.360 0.741 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446900723 211162398 /nfs/dbraw/zinc/16/23/98/211162398.db2.gz QUEHLRIVUIYCNV-HNNXBMFYSA-N 1 1 348.363 0.337 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000411939123 208173521 /nfs/dbraw/zinc/17/35/21/208173521.db2.gz ITLATIKJLJQEPK-GFCCVEGCSA-N 1 1 334.376 0.968 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956203 208179648 /nfs/dbraw/zinc/17/96/48/208179648.db2.gz RCKLCJPIZQFQLG-CHWSQXEVSA-N 1 1 337.376 0.745 20 5 ECBDMO CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000414006563 208385692 /nfs/dbraw/zinc/38/56/92/208385692.db2.gz QIORJXTUOVZSOH-WCQYABFASA-N 1 1 334.376 0.924 20 5 ECBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028706 210294964 /nfs/dbraw/zinc/29/49/64/210294964.db2.gz CRQXNRJNAVLYOE-VRKREXBASA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@H]1C[C@@H]1N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028706 210294971 /nfs/dbraw/zinc/29/49/71/210294971.db2.gz CRQXNRJNAVLYOE-VRKREXBASA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@H]1C[C@@H]1N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028706 210294977 /nfs/dbraw/zinc/29/49/77/210294977.db2.gz CRQXNRJNAVLYOE-VRKREXBASA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419329387 209061057 /nfs/dbraw/zinc/06/10/57/209061057.db2.gz FCHWECZXXZEWEM-NWDGAFQWSA-N 1 1 336.392 0.581 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000116889694 221004758 /nfs/dbraw/zinc/00/47/58/221004758.db2.gz LSLTVEMSYPPYQK-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000116889694 221004760 /nfs/dbraw/zinc/00/47/60/221004760.db2.gz LSLTVEMSYPPYQK-LLVKDONJSA-N 1 1 329.378 0.597 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000282725644 264059751 /nfs/dbraw/zinc/05/97/51/264059751.db2.gz CGCMPRHFJHQHBU-UWVGGRQHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](C)C1 ZINC000282725644 264059752 /nfs/dbraw/zinc/05/97/52/264059752.db2.gz CGCMPRHFJHQHBU-UWVGGRQHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296785072 265116627 /nfs/dbraw/zinc/11/66/27/265116627.db2.gz QLBQFBOVHTUGOH-GFCCVEGCSA-N 1 1 343.384 0.609 20 5 ECBDMO CC(C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000299113268 265338063 /nfs/dbraw/zinc/33/80/63/265338063.db2.gz GFIIIXSXAIVAIA-AWEZNQCLSA-N 1 1 339.396 0.654 20 5 ECBDMO Cc1cc(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000176479102 280350739 /nfs/dbraw/zinc/35/07/39/280350739.db2.gz CFVXSPJRBNWJCL-INIZCTEOSA-N 1 1 337.376 0.716 20 5 ECBDMO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1C[C@H](C)O ZINC000246736879 288259580 /nfs/dbraw/zinc/25/95/80/288259580.db2.gz FXZFZOJUUNSXKQ-RYUDHWBXSA-N 1 1 325.369 0.095 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH+](CC)CC1 ZINC000330793133 437615582 /nfs/dbraw/zinc/61/55/82/437615582.db2.gz CGEZKENTHANZHZ-LBPRGKRZSA-N 1 1 338.412 0.991 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000339396423 297345220 /nfs/dbraw/zinc/34/52/20/297345220.db2.gz WRAFSMSSKZBNSP-CABCVRRESA-N 1 1 336.392 0.552 20 5 ECBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000363681914 300285567 /nfs/dbraw/zinc/28/55/67/300285567.db2.gz GTUSOWDVWYPSDU-KGLIPLIRSA-N 1 1 348.359 0.513 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363865516 300300990 /nfs/dbraw/zinc/30/09/90/300300990.db2.gz GLSZOJYQUJAYKP-STQMWFEESA-N 1 1 335.364 0.243 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000364656573 300376118 /nfs/dbraw/zinc/37/61/18/300376118.db2.gz ALBNEFXJNIYUQZ-PMOUVXMZSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364656573 300376121 /nfs/dbraw/zinc/37/61/21/300376121.db2.gz ALBNEFXJNIYUQZ-PMOUVXMZSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000364656573 300376123 /nfs/dbraw/zinc/37/61/23/300376123.db2.gz ALBNEFXJNIYUQZ-PMOUVXMZSA-N 1 1 335.408 0.927 20 5 ECBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c2c(c1)COCO2 ZINC000375237628 301162030 /nfs/dbraw/zinc/16/20/30/301162030.db2.gz ONYPLGORCFYWOP-HNNXBMFYSA-N 1 1 335.360 0.978 20 5 ECBDMO O=[N+]([O-])c1cc(C[N@H+]2CCN3CCOC[C@@H]3C2)c2c(c1)COCO2 ZINC000375237628 301162031 /nfs/dbraw/zinc/16/20/31/301162031.db2.gz ONYPLGORCFYWOP-HNNXBMFYSA-N 1 1 335.360 0.978 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494098 301180212 /nfs/dbraw/zinc/18/02/12/301180212.db2.gz FDLGPQQFSCBYMF-LLVKDONJSA-N 1 1 347.375 1.000 20 5 ECBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494098 301180214 /nfs/dbraw/zinc/18/02/14/301180214.db2.gz FDLGPQQFSCBYMF-LLVKDONJSA-N 1 1 347.375 1.000 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000375494098 301180216 /nfs/dbraw/zinc/18/02/16/301180216.db2.gz FDLGPQQFSCBYMF-LLVKDONJSA-N 1 1 347.375 1.000 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076669523 436213232 /nfs/dbraw/zinc/21/32/32/436213232.db2.gz RFEZXSZHWOVNLC-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000076669523 436213235 /nfs/dbraw/zinc/21/32/35/436213235.db2.gz RFEZXSZHWOVNLC-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000089344411 436409153 /nfs/dbraw/zinc/40/91/53/436409153.db2.gz LDCBTKQAGHENRF-KBPBESRZSA-N 1 1 325.409 0.927 20 5 ECBDMO C[C@]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)(C(N)=O)c1ccccc1 ZINC000090553669 436433125 /nfs/dbraw/zinc/43/31/25/436433125.db2.gz ZOEKMYYLRLKTRC-MRXNPFEDSA-N 1 1 330.344 0.747 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000091082706 436441188 /nfs/dbraw/zinc/44/11/88/436441188.db2.gz FTLAIHCBCFMPDK-LBPRGKRZSA-N 1 1 333.339 0.425 20 5 ECBDMO CCNC(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000054223553 436548126 /nfs/dbraw/zinc/54/81/26/436548126.db2.gz KVCPPRJRGGTRTM-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1 ZINC000154270185 436774123 /nfs/dbraw/zinc/77/41/23/436774123.db2.gz XRUORQWNBFLWNU-UHFFFAOYSA-N 1 1 343.405 0.425 20 5 ECBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)c1 ZINC000154270185 436774126 /nfs/dbraw/zinc/77/41/26/436774126.db2.gz XRUORQWNBFLWNU-UHFFFAOYSA-N 1 1 343.405 0.425 20 5 ECBDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274076305 436795974 /nfs/dbraw/zinc/79/59/74/436795974.db2.gz RXPNOKJBZSUIDH-HZMBPMFUSA-N 1 1 333.348 0.979 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000274387766 436822144 /nfs/dbraw/zinc/82/21/44/436822144.db2.gz ANLMUURQSOCHCC-LBPRGKRZSA-N 1 1 334.376 0.971 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155797502 436803657 /nfs/dbraw/zinc/80/36/57/436803657.db2.gz XCJWNLKLGBFZMX-ZDUSSCGKSA-N 1 1 329.378 0.597 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000155797502 436803660 /nfs/dbraw/zinc/80/36/60/436803660.db2.gz XCJWNLKLGBFZMX-ZDUSSCGKSA-N 1 1 329.378 0.597 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104598777 302645763 /nfs/dbraw/zinc/64/57/63/302645763.db2.gz DYJUCAVXXJZFGQ-NEPJUHHUSA-N 1 1 339.396 0.715 20 5 ECBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274416598 436824716 /nfs/dbraw/zinc/82/47/16/436824716.db2.gz CSMRVHPNJXGODK-UHFFFAOYSA-N 1 1 335.408 0.887 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H](C)O1 ZINC000160714531 436878369 /nfs/dbraw/zinc/87/83/69/436878369.db2.gz HUDMMMDYCWQRKK-GHMZBOCLSA-N 1 1 339.396 0.946 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000133930489 436887369 /nfs/dbraw/zinc/88/73/69/436887369.db2.gz YQKBNXZPNCSEQB-LLVKDONJSA-N 1 1 325.369 0.184 20 5 ECBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134341853 436896971 /nfs/dbraw/zinc/89/69/71/436896971.db2.gz AHBDECZZCGHAEV-GFCCVEGCSA-N 1 1 331.398 0.193 20 5 ECBDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000134341853 436896974 /nfs/dbraw/zinc/89/69/74/436896974.db2.gz AHBDECZZCGHAEV-GFCCVEGCSA-N 1 1 331.398 0.193 20 5 ECBDMO COc1ccc(CNC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000263691500 436977436 /nfs/dbraw/zinc/97/74/36/436977436.db2.gz PSUHUVRZYGQNRF-GFCCVEGCSA-N 1 1 336.392 0.856 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280935525 436934214 /nfs/dbraw/zinc/93/42/14/436934214.db2.gz HLJYWYCVPBJXAD-HOTGVXAUSA-N 1 1 347.375 0.838 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000170690169 436949227 /nfs/dbraw/zinc/94/92/27/436949227.db2.gz KIKBAEMPQWTOLO-LBPRGKRZSA-N 1 1 328.394 0.600 20 5 ECBDMO COc1ccc(C(=O)NCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000298197104 437032780 /nfs/dbraw/zinc/03/27/80/437032780.db2.gz BSTUZAYYFDMVTE-UHFFFAOYSA-N 1 1 336.348 0.107 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1CC(C)(C)O ZINC000275598292 436988086 /nfs/dbraw/zinc/98/80/86/436988086.db2.gz HOXSPOQNHCFGSE-SNVBAGLBSA-N 1 1 338.364 0.613 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1(C)C ZINC000281705864 436990965 /nfs/dbraw/zinc/99/09/65/436990965.db2.gz HFZMRICSVMVWAR-UHFFFAOYSA-N 1 1 335.408 0.933 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000275687230 437001471 /nfs/dbraw/zinc/00/14/71/437001471.db2.gz QBDYFPMUWUNCGN-CYBMUJFWSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000275687230 437001473 /nfs/dbraw/zinc/00/14/73/437001473.db2.gz QBDYFPMUWUNCGN-CYBMUJFWSA-N 1 1 343.405 0.735 20 5 ECBDMO CN1CCN(C)[C@H](CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000264636276 437057445 /nfs/dbraw/zinc/05/74/45/437057445.db2.gz DQNCOQURQKWVKX-CYBMUJFWSA-N 1 1 335.408 0.759 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650187 437086114 /nfs/dbraw/zinc/08/61/14/437086114.db2.gz UPYBPBBLBMRIIK-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000174650187 437086117 /nfs/dbraw/zinc/08/61/17/437086117.db2.gz UPYBPBBLBMRIIK-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO CN1CC[N@@H+](C)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000264773226 437081849 /nfs/dbraw/zinc/08/18/49/437081849.db2.gz QEHOSIVCGSXDED-SNVBAGLBSA-N 1 1 325.344 0.292 20 5 ECBDMO CN(C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000176640819 437152164 /nfs/dbraw/zinc/15/21/64/437152164.db2.gz VMJOYGPWIDFINR-AWEZNQCLSA-N 1 1 334.376 0.877 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000276742144 437156047 /nfs/dbraw/zinc/15/60/47/437156047.db2.gz GEPNJUIJTXKZIO-CYBMUJFWSA-N 1 1 340.376 0.808 20 5 ECBDMO COc1ccc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000177352282 437179981 /nfs/dbraw/zinc/17/99/81/437179981.db2.gz LGLQODMDCQABCM-AWEZNQCLSA-N 1 1 339.392 0.728 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000332423108 437221799 /nfs/dbraw/zinc/22/17/99/437221799.db2.gz RZOPRDDJYSRHBM-LLVKDONJSA-N 1 1 337.380 0.654 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277526874 437228261 /nfs/dbraw/zinc/22/82/61/437228261.db2.gz MGBJDOVGFWYPAC-CYBMUJFWSA-N 1 1 334.376 0.890 20 5 ECBDMO C[C@@H](O)CC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000266761709 437239318 /nfs/dbraw/zinc/23/93/18/437239318.db2.gz SYRHJDMKSLRCNZ-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000266761709 437239321 /nfs/dbraw/zinc/23/93/21/437239321.db2.gz SYRHJDMKSLRCNZ-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000267145494 437296184 /nfs/dbraw/zinc/29/61/84/437296184.db2.gz VHVWJJZUDICJHK-UHFFFAOYSA-N 1 1 329.378 0.632 20 5 ECBDMO NC(=O)CN1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337327002 437350631 /nfs/dbraw/zinc/35/06/31/437350631.db2.gz WTQMWBUKHSODEW-UHFFFAOYSA-N 1 1 335.364 0.026 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCO1 ZINC000278737195 437338776 /nfs/dbraw/zinc/33/87/76/437338776.db2.gz WMFJYDNSWVXVIJ-LLVKDONJSA-N 1 1 338.364 0.926 20 5 ECBDMO Cn1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(=O)n(C)c1=O ZINC000289573415 437424950 /nfs/dbraw/zinc/42/49/50/437424950.db2.gz SQLUBUDRHTWQGV-UHFFFAOYSA-N 1 1 332.360 0.667 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CCO)C[C@@H](C)O ZINC000289664127 437431912 /nfs/dbraw/zinc/43/19/12/437431912.db2.gz FLXLKBGHDXRYKO-GFCCVEGCSA-N 1 1 325.365 0.907 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)N1 ZINC000279135432 437377527 /nfs/dbraw/zinc/37/75/27/437377527.db2.gz WSLYRNNICQDPLU-IUODEOHRSA-N 1 1 334.332 0.302 20 5 ECBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000268170330 437377505 /nfs/dbraw/zinc/37/75/05/437377505.db2.gz JVWBJISDVPWBJZ-XHDPSFHLSA-N 1 1 346.387 0.924 20 5 ECBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186646898 437479347 /nfs/dbraw/zinc/47/93/47/437479347.db2.gz KURCRTGESRQNDZ-HNNXBMFYSA-N 1 1 346.387 0.560 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186701836 437482996 /nfs/dbraw/zinc/48/29/96/437482996.db2.gz RYYLBWVYNBWOHD-CQSZACIVSA-N 1 1 332.360 0.631 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNc2nccc(C(N)=O)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000290483969 437492685 /nfs/dbraw/zinc/49/26/85/437492685.db2.gz IEKYQTYFCBPWND-PHIMTYICSA-N 1 1 337.380 1.000 20 5 ECBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291026987 437552186 /nfs/dbraw/zinc/55/21/86/437552186.db2.gz YIMIAHSDXDRDMU-JTQLQIEISA-N 1 1 337.380 0.370 20 5 ECBDMO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000330605634 437566249 /nfs/dbraw/zinc/56/62/49/437566249.db2.gz MMLYCMWXDPDCGR-LLVKDONJSA-N 1 1 325.369 0.713 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000340309654 437624947 /nfs/dbraw/zinc/62/49/47/437624947.db2.gz HGACCSBRQYXBEI-UHFFFAOYSA-N 1 1 325.369 0.097 20 5 ECBDMO C[C@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000190820479 437637834 /nfs/dbraw/zinc/63/78/34/437637834.db2.gz JXKDLUGQYMYYOG-RYUDHWBXSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)CO ZINC000190820479 437637840 /nfs/dbraw/zinc/63/78/40/437637840.db2.gz JXKDLUGQYMYYOG-RYUDHWBXSA-N 1 1 337.376 0.548 20 5 ECBDMO CN(C)C(=O)NCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343751542 437647048 /nfs/dbraw/zinc/64/70/48/437647048.db2.gz QGJQMZPGYKMXLE-LBPRGKRZSA-N 1 1 340.380 0.538 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)n1 ZINC000191898157 437656962 /nfs/dbraw/zinc/65/69/62/437656962.db2.gz XUHDWAKQGVNTKP-NSHDSACASA-N 1 1 339.396 0.728 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)n1 ZINC000191898157 437656967 /nfs/dbraw/zinc/65/69/67/437656967.db2.gz XUHDWAKQGVNTKP-NSHDSACASA-N 1 1 339.396 0.728 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000354923116 437657321 /nfs/dbraw/zinc/65/73/21/437657321.db2.gz NBKSXGGBABBQGN-NWDGAFQWSA-N 1 1 340.332 0.074 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000354923116 437657327 /nfs/dbraw/zinc/65/73/27/437657327.db2.gz NBKSXGGBABBQGN-NWDGAFQWSA-N 1 1 340.332 0.074 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000330961904 437657782 /nfs/dbraw/zinc/65/77/82/437657782.db2.gz PXOJBWFRCHCRMD-CMPLNLGQSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000330961904 437657786 /nfs/dbraw/zinc/65/77/86/437657786.db2.gz PXOJBWFRCHCRMD-CMPLNLGQSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193578528 437712257 /nfs/dbraw/zinc/71/22/57/437712257.db2.gz DWYJSGILJAEOMX-CYBMUJFWSA-N 1 1 338.412 0.181 20 5 ECBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])nn2C)C[C@H](C)O1 ZINC000356486778 437770583 /nfs/dbraw/zinc/77/05/83/437770583.db2.gz LFYZYOGWTZWGLK-PHIMTYICSA-N 1 1 325.369 0.557 20 5 ECBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000362606331 437746802 /nfs/dbraw/zinc/74/68/02/437746802.db2.gz NHXJMUSGHDJXMM-ZYHUDNBSSA-N 1 1 327.385 0.387 20 5 ECBDMO C[C@H](CO)[N@@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364947183 437832254 /nfs/dbraw/zinc/83/22/54/437832254.db2.gz NIKDXLVECMTNQM-GFCCVEGCSA-N 1 1 343.405 0.672 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000364947183 437832258 /nfs/dbraw/zinc/83/22/58/437832258.db2.gz NIKDXLVECMTNQM-GFCCVEGCSA-N 1 1 343.405 0.672 20 5 ECBDMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357053564 437897929 /nfs/dbraw/zinc/89/79/29/437897929.db2.gz SQXHQLLPNLOGDU-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357053564 437897933 /nfs/dbraw/zinc/89/79/33/437897933.db2.gz SQXHQLLPNLOGDU-NSHDSACASA-N 1 1 325.369 0.511 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@@H+]1CCO ZINC000416293786 437903884 /nfs/dbraw/zinc/90/38/84/437903884.db2.gz KHHNKUFLPAJSBC-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1CCO ZINC000416293786 437903889 /nfs/dbraw/zinc/90/38/89/437903889.db2.gz KHHNKUFLPAJSBC-OLZOCXBDSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000416293783 437906832 /nfs/dbraw/zinc/90/68/32/437906832.db2.gz KHHNKUFLPAJSBC-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000416293783 437906835 /nfs/dbraw/zinc/90/68/35/437906835.db2.gz KHHNKUFLPAJSBC-CHWSQXEVSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342216350 437982145 /nfs/dbraw/zinc/98/21/45/437982145.db2.gz CZCYIPSRRZHFNK-LLVKDONJSA-N 1 1 336.392 0.975 20 5 ECBDMO O=C1C[C@@]2(CN1)CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000342762616 438058341 /nfs/dbraw/zinc/05/83/41/438058341.db2.gz VUBJTKXJPAKXOD-CXAGYDPISA-N 1 1 349.387 0.937 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000366353257 438059065 /nfs/dbraw/zinc/05/90/65/438059065.db2.gz DCAHYTBSCAHHEE-QKPAOTATSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CC1[N+](=O)[O-] ZINC000366353257 438059070 /nfs/dbraw/zinc/05/90/70/438059070.db2.gz DCAHYTBSCAHHEE-QKPAOTATSA-N 1 1 333.388 0.651 20 5 ECBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[C@H]1CC1[N+](=O)[O-] ZINC000366353257 438059076 /nfs/dbraw/zinc/05/90/76/438059076.db2.gz DCAHYTBSCAHHEE-QKPAOTATSA-N 1 1 333.388 0.651 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358431469 438224312 /nfs/dbraw/zinc/22/43/12/438224312.db2.gz UGQYZWHTNVYSHR-LBPRGKRZSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358431469 438224315 /nfs/dbraw/zinc/22/43/15/438224315.db2.gz UGQYZWHTNVYSHR-LBPRGKRZSA-N 1 1 329.378 0.727 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374829932 438233822 /nfs/dbraw/zinc/23/38/22/438233822.db2.gz PVELPOWZSUUFBO-NXEZZACHSA-N 1 1 338.339 0.909 20 5 ECBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369130427 438426917 /nfs/dbraw/zinc/42/69/17/438426917.db2.gz NSHXFLGTLMIRPW-GXTWGEPZSA-N 1 1 340.380 0.422 20 5 ECBDMO C[C@@H](C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)N1CC[NH+](C)CC1 ZINC000359638074 438471942 /nfs/dbraw/zinc/47/19/42/438471942.db2.gz QFGPHHQNUNMZSK-ZDUSSCGKSA-N 1 1 348.403 0.952 20 5 ECBDMO CN1C(=O)[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369472475 438479066 /nfs/dbraw/zinc/47/90/66/438479066.db2.gz SROLLHJGRXPAEP-CYBMUJFWSA-N 1 1 334.332 0.552 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000369472475 438479070 /nfs/dbraw/zinc/47/90/70/438479070.db2.gz SROLLHJGRXPAEP-CYBMUJFWSA-N 1 1 334.332 0.552 20 5 ECBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781334 438513675 /nfs/dbraw/zinc/51/36/75/438513675.db2.gz DCEFLSSYGFYLIU-ZFWWWQNUSA-N 1 1 349.395 0.525 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2CCO)s1 ZINC000451671650 438705995 /nfs/dbraw/zinc/70/59/95/438705995.db2.gz QLRNHJDDJKLDKZ-SNVBAGLBSA-N 1 1 349.434 0.781 20 5 ECBDMO Nc1c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc(F)cc1[N+](=O)[O-] ZINC000452388717 438659350 /nfs/dbraw/zinc/65/93/50/438659350.db2.gz KFCVSBQOJFVFLD-LLVKDONJSA-N 1 1 340.355 0.893 20 5 ECBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454623794 438723014 /nfs/dbraw/zinc/72/30/14/438723014.db2.gz CWXZTYNHSJGUKS-ZDUSSCGKSA-N 1 1 348.407 0.916 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000587979305 438811674 /nfs/dbraw/zinc/81/16/74/438811674.db2.gz WNFFTPKLHZHTGZ-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457930421 438843210 /nfs/dbraw/zinc/84/32/10/438843210.db2.gz CFTRWBDDXPMFDS-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457930421 438843214 /nfs/dbraw/zinc/84/32/14/438843214.db2.gz CFTRWBDDXPMFDS-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595663510 438843357 /nfs/dbraw/zinc/84/33/57/438843357.db2.gz PGWVMAZZBPLMEN-BFHYXJOUSA-N 1 1 349.343 0.620 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000589925680 438891043 /nfs/dbraw/zinc/89/10/43/438891043.db2.gz OAEWFMQHIFTGAH-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO CO[C@@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000459785797 438999715 /nfs/dbraw/zinc/99/97/15/438999715.db2.gz ADWDQCGXAKAENH-QWHCGFSZSA-N 1 1 330.362 0.372 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)n1 ZINC000591687939 439063057 /nfs/dbraw/zinc/06/30/57/439063057.db2.gz LCGXGFZZOXKVLR-GFCCVEGCSA-N 1 1 330.348 0.993 20 5 ECBDMO C[C@@H](CO)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477994 439018808 /nfs/dbraw/zinc/01/88/08/439018808.db2.gz XRJFCVPBTYDWJU-LLVKDONJSA-N 1 1 331.394 0.433 20 5 ECBDMO CCC[NH+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598586239 439283407 /nfs/dbraw/zinc/28/34/07/439283407.db2.gz FUIZIOFJFHORGU-UHFFFAOYSA-N 1 1 336.396 0.753 20 5 ECBDMO O=[N+]([O-])c1c(N[C@H]2CC[N@H+](C3CC3)C2)ncnc1N1CCOCC1 ZINC000598587868 439283463 /nfs/dbraw/zinc/28/34/63/439283463.db2.gz FUEGZLGSKVSFOT-NSHDSACASA-N 1 1 334.380 0.870 20 5 ECBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335685 439321334 /nfs/dbraw/zinc/32/13/34/439321334.db2.gz FNFNSBVOAOPGEY-KOLCDFICSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335685 439321339 /nfs/dbraw/zinc/32/13/39/439321339.db2.gz FNFNSBVOAOPGEY-KOLCDFICSA-N 1 1 326.378 0.751 20 5 ECBDMO COCCOCC[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593115116 439346097 /nfs/dbraw/zinc/34/60/97/439346097.db2.gz GBOLOYFGQRZHQK-UHFFFAOYSA-N 1 1 327.385 0.072 20 5 ECBDMO CCC[NH+]1CCC(NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599206263 439381464 /nfs/dbraw/zinc/38/14/64/439381464.db2.gz FDZIZWBNAJMUCT-UHFFFAOYSA-N 1 1 331.398 0.481 20 5 ECBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599207917 439381203 /nfs/dbraw/zinc/38/12/03/439381203.db2.gz UAGPNRDELKLPQJ-LLVKDONJSA-N 1 1 345.425 0.871 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593452903 439383251 /nfs/dbraw/zinc/38/32/51/439383251.db2.gz JGCALZCXENBXHO-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO CC(=O)NC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599705611 439539583 /nfs/dbraw/zinc/53/95/83/439539583.db2.gz XQXKEVLCQCXFGK-OCCSQVGLSA-N 1 1 325.369 0.143 20 5 ECBDMO CN1C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1=O ZINC000572100431 439557229 /nfs/dbraw/zinc/55/72/29/439557229.db2.gz XEEYVCFNHLQGLP-ZIAGYGMSSA-N 1 1 337.376 0.887 20 5 ECBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609279110 439562286 /nfs/dbraw/zinc/56/22/86/439562286.db2.gz GBRVOUAYPAKWMQ-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000609279110 439562289 /nfs/dbraw/zinc/56/22/89/439562289.db2.gz GBRVOUAYPAKWMQ-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609393470 439569250 /nfs/dbraw/zinc/56/92/50/439569250.db2.gz WJNFKBWIWDAOOS-CQSZACIVSA-N 1 1 346.387 0.925 20 5 ECBDMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000609479026 439571640 /nfs/dbraw/zinc/57/16/40/439571640.db2.gz QYAVXQDYTAKDMO-SNVBAGLBSA-N 1 1 325.369 0.721 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000572386545 439579448 /nfs/dbraw/zinc/57/94/48/439579448.db2.gz NTEZIGSIELKKJH-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600071041 439608097 /nfs/dbraw/zinc/60/80/97/439608097.db2.gz UGWQBSMQINZOKO-GFCCVEGCSA-N 1 1 336.348 0.025 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC1CC([NH+]2CCOCC2)C1 ZINC000600070248 439608187 /nfs/dbraw/zinc/60/81/87/439608187.db2.gz YLTFPQMROABBBM-UHFFFAOYSA-N 1 1 335.360 0.953 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610667528 439637077 /nfs/dbraw/zinc/63/70/77/439637077.db2.gz OCFVUEXDVCRFHY-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000611106740 439672502 /nfs/dbraw/zinc/67/25/02/439672502.db2.gz FLFHGKHQPIXMOY-VHSXEESVSA-N 1 1 343.409 0.715 20 5 ECBDMO Cc1noc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595346359 439709221 /nfs/dbraw/zinc/70/92/21/439709221.db2.gz UYMMEFJKOUWAIO-LBPRGKRZSA-N 1 1 337.380 0.630 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000611165900 439676039 /nfs/dbraw/zinc/67/60/39/439676039.db2.gz HEZSNQAXPKANDU-UHFFFAOYSA-N 1 1 337.376 0.889 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)c1[N+](=O)[O-] ZINC000611218402 439680702 /nfs/dbraw/zinc/68/07/02/439680702.db2.gz ZDRLZEFVMFHTMC-UHFFFAOYSA-N 1 1 325.369 0.165 20 5 ECBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000574308179 439697382 /nfs/dbraw/zinc/69/73/82/439697382.db2.gz GLMLIWRKECMTAE-CYBMUJFWSA-N 1 1 334.376 0.877 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(c3cccc([N+](=O)[O-])c3S(N)(=O)=O)C2)C1 ZINC000574305840 439698085 /nfs/dbraw/zinc/69/80/85/439698085.db2.gz CTOIPUAEWZAQFJ-CQSZACIVSA-N 1 1 340.405 0.774 20 5 ECBDMO CN(C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)S(C)(=O)=O ZINC000330989760 320878925 /nfs/dbraw/zinc/87/89/25/320878925.db2.gz JZGVCJWQTTYAGP-UHFFFAOYSA-N 1 1 331.398 0.147 20 5 ECBDMO COc1cc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2C)c([N+](=O)[O-])cc1O ZINC000342421291 321091192 /nfs/dbraw/zinc/09/11/92/321091192.db2.gz RDPIYTAIVJBIGT-SCZZXKLOSA-N 1 1 330.362 0.832 20 5 ECBDMO CCOC(=O)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000342636090 321096318 /nfs/dbraw/zinc/09/63/18/321096318.db2.gz LIZSXWJYUANPJE-ZDUSSCGKSA-N 1 1 326.353 0.570 20 5 ECBDMO CCOC(=O)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC1 ZINC000342636090 321096319 /nfs/dbraw/zinc/09/63/19/321096319.db2.gz LIZSXWJYUANPJE-ZDUSSCGKSA-N 1 1 326.353 0.570 20 5 ECBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000344653955 321158977 /nfs/dbraw/zinc/15/89/77/321158977.db2.gz BQUNNOXZRZGFSD-AWEZNQCLSA-N 1 1 336.392 0.993 20 5 ECBDMO COCC(COC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000570955354 322705499 /nfs/dbraw/zinc/70/54/99/322705499.db2.gz IXMMWCCSDQRGGB-UHFFFAOYSA-N 1 1 332.378 0.620 20 5 ECBDMO CCN1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190160726 529040991 /nfs/dbraw/zinc/04/09/91/529040991.db2.gz ITEHCJHSXLTENC-CQSZACIVSA-N 1 1 337.376 0.889 20 5 ECBDMO CCN1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000190160726 529040995 /nfs/dbraw/zinc/04/09/95/529040995.db2.gz ITEHCJHSXLTENC-CQSZACIVSA-N 1 1 337.376 0.889 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737006180 578472533 /nfs/dbraw/zinc/47/25/33/578472533.db2.gz WFDLKLAILWVYRO-JTQLQIEISA-N 1 1 348.367 0.693 20 5 ECBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000770235646 579163117 /nfs/dbraw/zinc/16/31/17/579163117.db2.gz IUBQOEZNSQMOIA-XHDPSFHLSA-N 1 1 347.375 0.780 20 5 ECBDMO C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000770235646 579163119 /nfs/dbraw/zinc/16/31/19/579163119.db2.gz IUBQOEZNSQMOIA-XHDPSFHLSA-N 1 1 347.375 0.780 20 5 ECBDMO CNS(=O)(=O)C1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776582401 579284685 /nfs/dbraw/zinc/28/46/85/579284685.db2.gz PSOAWFNUOZHPRV-AWEZNQCLSA-N 1 1 343.405 0.642 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591927 579285256 /nfs/dbraw/zinc/28/52/56/579285256.db2.gz LKKQDBCLNPZYKE-KGLIPLIRSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776591927 579285258 /nfs/dbraw/zinc/28/52/58/579285258.db2.gz LKKQDBCLNPZYKE-KGLIPLIRSA-N 1 1 348.359 0.597 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778253934 579307450 /nfs/dbraw/zinc/30/74/50/579307450.db2.gz JUDIVBQSWLAPHA-UHFFFAOYSA-N 1 1 339.377 0.908 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)c(-c2nn[nH]n2)c1 ZINC000738368899 579624395 /nfs/dbraw/zinc/62/43/95/579624395.db2.gz FLEIZKSHBWIEOR-UHFFFAOYSA-N 1 1 333.352 0.279 20 5 ECBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000742199583 579781965 /nfs/dbraw/zinc/78/19/65/579781965.db2.gz TVUGUGCUDZEAHT-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000742199583 579781967 /nfs/dbraw/zinc/78/19/67/579781967.db2.gz TVUGUGCUDZEAHT-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@@H+]1C ZINC000747985353 579855930 /nfs/dbraw/zinc/85/59/30/579855930.db2.gz IAHFISQBCFMBFD-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[N@H+]1C ZINC000747985353 579855931 /nfs/dbraw/zinc/85/59/31/579855931.db2.gz IAHFISQBCFMBFD-LLVKDONJSA-N 1 1 330.348 0.952 20 5 ECBDMO O=[N+]([O-])c1cc(CN2CC(S(=O)(=O)N3CC[NH2+]CC3)C2)cs1 ZINC000843054879 589048318 /nfs/dbraw/zinc/04/83/18/589048318.db2.gz MDABTJNWQVEZLV-UHFFFAOYSA-N 1 1 346.434 0.076 20 5 ECBDMO CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cn2)CC1 ZINC000839538902 586878383 /nfs/dbraw/zinc/87/83/83/586878383.db2.gz KDVFTEMXOGZUQO-ZIAGYGMSSA-N 1 1 333.392 0.505 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C1 ZINC000839621841 586883890 /nfs/dbraw/zinc/88/38/90/586883890.db2.gz JHCWZIQEJNZDMP-NWANDNLSSA-N 1 1 346.387 0.988 20 5 ECBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000801932358 587006297 /nfs/dbraw/zinc/00/62/97/587006297.db2.gz LCVVSBRFAGDVLO-UHFFFAOYSA-N 1 1 340.355 0.845 20 5 ECBDMO C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+]1C ZINC000813463055 587254192 /nfs/dbraw/zinc/25/41/92/587254192.db2.gz MEZLSAHBYWBVIG-JTQLQIEISA-N 1 1 346.343 0.353 20 5 ECBDMO C[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1C ZINC000813463055 587254193 /nfs/dbraw/zinc/25/41/93/587254193.db2.gz MEZLSAHBYWBVIG-JTQLQIEISA-N 1 1 346.343 0.353 20 5 ECBDMO COc1cc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000813742052 587261424 /nfs/dbraw/zinc/26/14/24/587261424.db2.gz XXWXSSVCRRTWQX-GWCFXTLKSA-N 1 1 341.389 0.928 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000825745963 587958900 /nfs/dbraw/zinc/95/89/00/587958900.db2.gz AIXOABBOVBKJPV-HRCADAONSA-N 1 1 349.387 0.686 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825747377 587959273 /nfs/dbraw/zinc/95/92/73/587959273.db2.gz UPFVGZKIKYEBLL-HIFRSBDPSA-N 1 1 337.376 0.855 20 5 ECBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000826581669 588071903 /nfs/dbraw/zinc/07/19/03/588071903.db2.gz YBUJTHWNQZVFFI-GFCCVEGCSA-N 1 1 329.397 0.918 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+](C)C1 ZINC000854932721 589613187 /nfs/dbraw/zinc/61/31/87/589613187.db2.gz QQQXUWXGLFLVMM-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+](C)C1 ZINC000854932721 589613189 /nfs/dbraw/zinc/61/31/89/589613189.db2.gz QQQXUWXGLFLVMM-JTQLQIEISA-N 1 1 339.323 0.911 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3ncnc(N4CCOCC4)c3[N+](=O)[O-])CC[C@@H]21 ZINC000866206328 589729045 /nfs/dbraw/zinc/72/90/45/589729045.db2.gz CTCJJPNQWNXADQ-OLZOCXBDSA-N 1 1 348.407 0.752 20 5 ECBDMO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863831630 590041944 /nfs/dbraw/zinc/04/19/44/590041944.db2.gz LQARYMLAQUYXTO-ZDUSSCGKSA-N 1 1 333.348 0.127 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000879533490 590320087 /nfs/dbraw/zinc/32/00/87/590320087.db2.gz GVVILHAHMQHCID-AOOOYVTPSA-N 1 1 337.307 0.789 20 5 ECBDMO COc1cc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000879533490 590320089 /nfs/dbraw/zinc/32/00/89/590320089.db2.gz GVVILHAHMQHCID-AOOOYVTPSA-N 1 1 337.307 0.789 20 5 ECBDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000880303894 590382764 /nfs/dbraw/zinc/38/27/64/590382764.db2.gz SHQLJMPCWIUWIK-MNOVXSKESA-N 1 1 338.286 0.805 20 5 ECBDMO O=C(C[N@H+]1CC=C[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880487764 590395586 /nfs/dbraw/zinc/39/55/86/590395586.db2.gz OFXLTDOJOPROIQ-INIZCTEOSA-N 1 1 346.387 0.476 20 5 ECBDMO O=C(C[N@@H+]1CC=C[C@H]1CO)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000880487764 590395589 /nfs/dbraw/zinc/39/55/89/590395589.db2.gz OFXLTDOJOPROIQ-INIZCTEOSA-N 1 1 346.387 0.476 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000935819504 611404385 /nfs/dbraw/zinc/40/43/85/611404385.db2.gz YPGIJADJSFLQNT-UHFFFAOYSA-N 1 1 338.412 0.242 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406044 611536968 /nfs/dbraw/zinc/53/69/68/611536968.db2.gz MHEUNSMFQWZIPE-OLZOCXBDSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000931406044 611536970 /nfs/dbraw/zinc/53/69/70/611536970.db2.gz MHEUNSMFQWZIPE-OLZOCXBDSA-N 1 1 336.392 0.839 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000931407658 611537937 /nfs/dbraw/zinc/53/79/37/611537937.db2.gz WLBFSPDTHSBUBQ-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1CO ZINC000931407658 611537938 /nfs/dbraw/zinc/53/79/38/611537938.db2.gz WLBFSPDTHSBUBQ-LLVKDONJSA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000912749060 610000613 /nfs/dbraw/zinc/00/06/13/610000613.db2.gz NVLYNAZTRCILHI-HNNXBMFYSA-N 1 1 336.392 0.922 20 5 ECBDMO C[N@H+]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000912749060 610000616 /nfs/dbraw/zinc/00/06/16/610000616.db2.gz NVLYNAZTRCILHI-HNNXBMFYSA-N 1 1 336.392 0.922 20 5 ECBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918350389 610003696 /nfs/dbraw/zinc/00/36/96/610003696.db2.gz BICMVDLZTIFDTO-OKILXGFUSA-N 1 1 340.405 0.952 20 5 ECBDMO COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000940107063 610210007 /nfs/dbraw/zinc/21/00/07/610210007.db2.gz GAULRIYRDUWXQT-CHWSQXEVSA-N 1 1 349.391 0.621 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CCOCC1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246288580 612884713 /nfs/dbraw/zinc/88/47/13/612884713.db2.gz OPUGBCFTDRNYOP-JKSUJKDBSA-N 1 1 339.392 0.253 20 5 ECBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC001164667413 719411492 /nfs/dbraw/zinc/41/14/92/719411492.db2.gz FQXUTYLXQWQKAK-OLZOCXBDSA-N 1 1 336.348 0.686 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001022981460 736357197 /nfs/dbraw/zinc/35/71/97/736357197.db2.gz PTSBAEZKHOXNIS-TXEJJXNPSA-N 1 1 348.407 0.161 20 5 ECBDMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)n1 ZINC001025768012 739933532 /nfs/dbraw/zinc/93/35/32/739933532.db2.gz MQZSHLZKAMYYPA-WDNDVIMCSA-N 1 1 342.359 0.584 20 5 ECBDMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)n1 ZINC001025768012 739933536 /nfs/dbraw/zinc/93/35/36/739933536.db2.gz MQZSHLZKAMYYPA-WDNDVIMCSA-N 1 1 342.359 0.584 20 5 ECBDMO COc1nscc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983657813 745010366 /nfs/dbraw/zinc/01/03/66/745010366.db2.gz NSPFICWUAOBPLU-HJQYOEGKSA-N 1 1 340.405 0.801 20 5 ECBDMO O=C(NCC1CCN(Cc2cnns2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400509 746341330 /nfs/dbraw/zinc/34/13/30/746341330.db2.gz SOHKZFYTRKBKDK-VXGBXAGGSA-N 1 1 325.394 0.532 20 5 ECBDMO C[N@@H+](Cc1cc2n(n1)CCC2)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424963 747972132 /nfs/dbraw/zinc/97/21/32/747972132.db2.gz CQCUDPMVNQDYHK-HZPDHXFCSA-N 1 1 347.419 0.917 20 5 ECBDMO CC(C)CN(CC(C)C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126939250 756806873 /nfs/dbraw/zinc/80/68/73/756806873.db2.gz UFGMZEMCLXFQAF-ZIAGYGMSSA-N 1 1 342.440 0.498 20 5 ECBDMO CC(C)(C(=O)N1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)[NH+]1CCCC1 ZINC001011114083 756950413 /nfs/dbraw/zinc/95/04/13/756950413.db2.gz CDCGRVOPDREMHJ-CHWSQXEVSA-N 1 1 338.408 0.197 20 5 ECBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC001048814668 757083178 /nfs/dbraw/zinc/08/31/78/757083178.db2.gz WTEVFENFDZHUNZ-YYIAUSFCSA-N 1 1 345.399 0.734 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC001048814668 757083180 /nfs/dbraw/zinc/08/31/80/757083180.db2.gz WTEVFENFDZHUNZ-YYIAUSFCSA-N 1 1 345.399 0.734 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2C1 ZINC001048814668 757083186 /nfs/dbraw/zinc/08/31/86/757083186.db2.gz WTEVFENFDZHUNZ-YYIAUSFCSA-N 1 1 345.399 0.734 20 5 ECBDMO CC(C)(F)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055574900 769159229 /nfs/dbraw/zinc/15/92/29/769159229.db2.gz CRAJUCSGEQSLFJ-VXGBXAGGSA-N 1 1 344.387 0.097 20 5 ECBDMO C[NH+](C)CCC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073015737 789276578 /nfs/dbraw/zinc/27/65/78/789276578.db2.gz QSVBDBHFQKEPFX-VXGBXAGGSA-N 1 1 326.397 0.101 20 5 ECBDMO C[NH+](C)CCC(=O)N1CCC(C)(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073238077 789643841 /nfs/dbraw/zinc/64/38/41/789643841.db2.gz YDHZOCVSISMVGR-VXGBXAGGSA-N 1 1 326.397 0.101 20 5 ECBDMO O=C(NCCN1CC[NH+](CC2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001266283041 835613687 /nfs/dbraw/zinc/61/36/87/835613687.db2.gz BROYHBSBHVZRRR-CHWSQXEVSA-N 1 1 346.378 0.431 20 5 ECBDMO NC(=O)CCCC(=O)NCC1C[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001267700884 838298604 /nfs/dbraw/zinc/29/86/04/838298604.db2.gz ISNXACACJSGZBS-UHFFFAOYSA-N 1 1 334.376 0.798 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000174708719 231286365 /nfs/dbraw/zinc/28/63/65/231286365.db2.gz WZXJDDNOBVGHPP-AWEZNQCLSA-N 1 1 348.403 0.558 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000155292719 529851897 /nfs/dbraw/zinc/85/18/97/529851897.db2.gz GISSRHOWUQLURF-CYBMUJFWSA-N 1 1 325.365 0.793 20 5 ECBDMO COC(=O)c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000420413872 209362284 /nfs/dbraw/zinc/36/22/84/209362284.db2.gz GAGZVXAABKRTBO-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000193529704 240199800 /nfs/dbraw/zinc/19/98/00/240199800.db2.gz HWCBZEVPHUDKIH-UHFFFAOYSA-N 1 1 326.378 0.550 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000246604242 243282251 /nfs/dbraw/zinc/28/22/51/243282251.db2.gz BVFMGAPLCSDWGA-ZJUUUORDSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H]1C ZINC000246604242 243282254 /nfs/dbraw/zinc/28/22/54/243282254.db2.gz BVFMGAPLCSDWGA-ZJUUUORDSA-N 1 1 340.355 0.843 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661370 220177162 /nfs/dbraw/zinc/17/71/62/220177162.db2.gz DSHGCCPDBLDWAV-LLVKDONJSA-N 1 1 338.364 0.860 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000265212357 247303178 /nfs/dbraw/zinc/30/31/78/247303178.db2.gz LWZIRGRTWIEHMY-GFCCVEGCSA-N 1 1 343.405 0.974 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000450953287 211352188 /nfs/dbraw/zinc/35/21/88/211352188.db2.gz KQKDMUMUVRLHJL-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc(C(=O)NC2CC2)cc1[N+](=O)[O-] ZINC000450953287 211352193 /nfs/dbraw/zinc/35/21/93/211352193.db2.gz KQKDMUMUVRLHJL-GFCCVEGCSA-N 1 1 348.403 0.990 20 5 ECBDMO COCCOC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000450557191 211329217 /nfs/dbraw/zinc/32/92/17/211329217.db2.gz BMUGWWFLPCNKSD-TZMCWYRMSA-N 1 1 340.380 0.500 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+]1CCCC1 ZINC000012141033 211303037 /nfs/dbraw/zinc/30/30/37/211303037.db2.gz QMEOXDBAUKVTTA-UHFFFAOYSA-N 1 1 329.378 0.978 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000092842883 218175069 /nfs/dbraw/zinc/17/50/69/218175069.db2.gz OMCLOOSACVMWRK-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000092842883 218175072 /nfs/dbraw/zinc/17/50/72/218175072.db2.gz OMCLOOSACVMWRK-CQSZACIVSA-N 1 1 343.405 0.987 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000268655033 252108229 /nfs/dbraw/zinc/10/82/29/252108229.db2.gz KEBSOYPCSCSEBR-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411953476 208176704 /nfs/dbraw/zinc/17/67/04/208176704.db2.gz UGYVYTPFHHQVTI-XHSDSOJGSA-N 1 1 332.360 0.960 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000413928947 208382274 /nfs/dbraw/zinc/38/22/74/208382274.db2.gz ZPQVCRXGMSPQCA-LLVKDONJSA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000413928947 208382279 /nfs/dbraw/zinc/38/22/79/208382279.db2.gz ZPQVCRXGMSPQCA-LLVKDONJSA-N 1 1 339.323 0.911 20 5 ECBDMO C[N@@H+](CCCNC(=O)C1CCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000429558471 210321969 /nfs/dbraw/zinc/32/19/69/210321969.db2.gz URWRXCSFOYJBFL-AWEZNQCLSA-N 1 1 339.396 0.390 20 5 ECBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028700 210294809 /nfs/dbraw/zinc/29/48/09/210294809.db2.gz CRQXNRJNAVLYOE-BFJAYTPKSA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@H]1C[C@H]1N1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028700 210294811 /nfs/dbraw/zinc/29/48/11/210294811.db2.gz CRQXNRJNAVLYOE-BFJAYTPKSA-N 1 1 337.424 0.814 20 5 ECBDMO C[C@H]1C[C@H]1N1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000429028700 210294814 /nfs/dbraw/zinc/29/48/14/210294814.db2.gz CRQXNRJNAVLYOE-BFJAYTPKSA-N 1 1 337.424 0.814 20 5 ECBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248957564 165191535 /nfs/dbraw/zinc/19/15/35/165191535.db2.gz ATYVCLHCGGGASB-WCFLWFBJSA-N 1 1 326.353 0.283 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299597268 296873141 /nfs/dbraw/zinc/87/31/41/296873141.db2.gz GRSXDNIMYMSCDG-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270975165 263290137 /nfs/dbraw/zinc/29/01/37/263290137.db2.gz IPJQPSSPXIDBEE-PHIMTYICSA-N 1 1 339.396 0.946 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000270975165 263290139 /nfs/dbraw/zinc/29/01/39/263290139.db2.gz IPJQPSSPXIDBEE-PHIMTYICSA-N 1 1 339.396 0.946 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CCC[N@@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000283744218 264148012 /nfs/dbraw/zinc/14/80/12/264148012.db2.gz JOFKNWDQWWGHSU-UHFFFAOYSA-N 1 1 338.364 0.589 20 5 ECBDMO NC(=O)[C@@]1(O)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000285202973 264290230 /nfs/dbraw/zinc/29/02/30/264290230.db2.gz WSSBGEVNXKUHRK-MRXNPFEDSA-N 1 1 346.343 0.714 20 5 ECBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000286413985 264396182 /nfs/dbraw/zinc/39/61/82/264396182.db2.gz KEQBWNXFXZPFHK-OCCSQVGLSA-N 1 1 339.396 0.533 20 5 ECBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295696152 265076261 /nfs/dbraw/zinc/07/62/61/265076261.db2.gz MABHCRNDMMYKSZ-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000295696152 265076264 /nfs/dbraw/zinc/07/62/64/265076264.db2.gz MABHCRNDMMYKSZ-SECBINFHSA-N 1 1 325.321 0.965 20 5 ECBDMO NS(=O)(=O)c1cc(NCCC[NH+]2CCOCC2)cc([N+](=O)[O-])c1 ZINC000298763698 265280568 /nfs/dbraw/zinc/28/05/68/265280568.db2.gz BCQHRVCIJQYHBB-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000105790670 277258694 /nfs/dbraw/zinc/25/86/94/277258694.db2.gz BQJJBCWUANVHTH-NWDGAFQWSA-N 1 1 336.392 0.846 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189335530 278402216 /nfs/dbraw/zinc/40/22/16/278402216.db2.gz RWIDJWSWVVIGKM-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)n1 ZINC000191805350 288710577 /nfs/dbraw/zinc/71/05/77/288710577.db2.gz CHOJKHXXANQPCN-UHFFFAOYSA-N 1 1 325.369 0.340 20 5 ECBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332385449 297037016 /nfs/dbraw/zinc/03/70/16/297037016.db2.gz UGOGHHQEDDZTEQ-LLVKDONJSA-N 1 1 348.359 0.483 20 5 ECBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000332385449 297037018 /nfs/dbraw/zinc/03/70/18/297037018.db2.gz UGOGHHQEDDZTEQ-LLVKDONJSA-N 1 1 348.359 0.483 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000332689079 297065249 /nfs/dbraw/zinc/06/52/49/297065249.db2.gz LGRMSVPEQCRHNA-GHMZBOCLSA-N 1 1 339.396 0.968 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000332689079 297065251 /nfs/dbraw/zinc/06/52/51/297065251.db2.gz LGRMSVPEQCRHNA-GHMZBOCLSA-N 1 1 339.396 0.968 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000332689079 297065253 /nfs/dbraw/zinc/06/52/53/297065253.db2.gz LGRMSVPEQCRHNA-GHMZBOCLSA-N 1 1 339.396 0.968 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CC[NH+](C)CC1 ZINC000345581564 298170812 /nfs/dbraw/zinc/17/08/12/298170812.db2.gz FYFRQWHFPJSELL-CQSZACIVSA-N 1 1 337.424 0.935 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000346177902 298233648 /nfs/dbraw/zinc/23/36/48/298233648.db2.gz AKOKSKAZLIZSTK-WCQYABFASA-N 1 1 348.363 0.902 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000346769047 298339104 /nfs/dbraw/zinc/33/91/04/298339104.db2.gz OKJQDEQRTRQOQC-NOZJJQNGSA-N 1 1 333.352 0.123 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCCOC2)O1 ZINC000361648377 300113060 /nfs/dbraw/zinc/11/30/60/300113060.db2.gz QOIUSRDUCIDEHO-VHDGCEQUSA-N 1 1 340.380 0.422 20 5 ECBDMO Cn1c(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000361826087 300130687 /nfs/dbraw/zinc/13/06/87/300130687.db2.gz RWAVZEGZTJJAFO-LBPRGKRZSA-N 1 1 349.391 0.312 20 5 ECBDMO CNC(=O)c1ccc(N2CCC[N@H+]([C@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364262994 300340203 /nfs/dbraw/zinc/34/02/03/300340203.db2.gz BPNGIHVXMZDCGQ-GFCCVEGCSA-N 1 1 336.392 0.847 20 5 ECBDMO CNC(=O)c1ccc(N2CCC[N@H+]([C@@H](C)CO)CC2)c([N+](=O)[O-])c1 ZINC000364262995 300340361 /nfs/dbraw/zinc/34/03/61/300340361.db2.gz BPNGIHVXMZDCGQ-LBPRGKRZSA-N 1 1 336.392 0.847 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000069743515 435961954 /nfs/dbraw/zinc/96/19/54/435961954.db2.gz LAHFGYDRVGSHNB-LBPRGKRZSA-N 1 1 337.380 0.811 20 5 ECBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000073047199 436067655 /nfs/dbraw/zinc/06/76/55/436067655.db2.gz HYSMBPFIPMLIHP-NSHDSACASA-N 1 1 335.360 0.976 20 5 ECBDMO NC(=O)c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000024153718 436131197 /nfs/dbraw/zinc/13/11/97/436131197.db2.gz LJERAOGFSVGEBQ-ZDUSSCGKSA-N 1 1 334.376 0.995 20 5 ECBDMO C[C@@H](CS(C)(=O)=O)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075743221 436171339 /nfs/dbraw/zinc/17/13/39/436171339.db2.gz JUOAJSSLBRCTNV-GXFFZTMASA-N 1 1 346.409 0.050 20 5 ECBDMO C[C@@H](CS(C)(=O)=O)[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000075743221 436171346 /nfs/dbraw/zinc/17/13/46/436171346.db2.gz JUOAJSSLBRCTNV-GXFFZTMASA-N 1 1 346.409 0.050 20 5 ECBDMO NS(=O)(=O)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000377594272 301363081 /nfs/dbraw/zinc/36/30/81/301363081.db2.gz CYFOIKNFQHIWOZ-UHFFFAOYSA-N 1 1 344.393 0.185 20 5 ECBDMO NS(=O)(=O)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000377594272 301363084 /nfs/dbraw/zinc/36/30/84/301363084.db2.gz CYFOIKNFQHIWOZ-UHFFFAOYSA-N 1 1 344.393 0.185 20 5 ECBDMO CCN1CCN(c2ncnc(N3CC[NH+](CC)CC3)c2[N+](=O)[O-])CC1 ZINC000040610553 436267648 /nfs/dbraw/zinc/26/76/48/436267648.db2.gz PTIBWPVFFZUTHG-UHFFFAOYSA-N 1 1 349.439 0.669 20 5 ECBDMO COc1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000086168382 436392406 /nfs/dbraw/zinc/39/24/06/436392406.db2.gz FSIXWOPCAOWQKN-UHFFFAOYSA-N 1 1 339.392 0.730 20 5 ECBDMO COc1ccc(C[N@@H+](CCO)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000086168382 436392407 /nfs/dbraw/zinc/39/24/07/436392407.db2.gz FSIXWOPCAOWQKN-UHFFFAOYSA-N 1 1 339.392 0.730 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000046448659 436395045 /nfs/dbraw/zinc/39/50/45/436395045.db2.gz GAGWQUUIZFCLIL-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090522627 436432763 /nfs/dbraw/zinc/43/27/63/436432763.db2.gz KJQVCFMSEKWZII-CYBMUJFWSA-N 1 1 336.392 0.995 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000518288525 301721930 /nfs/dbraw/zinc/72/19/30/301721930.db2.gz UJWQEDRGYAWLMT-UHFFFAOYSA-N 1 1 325.369 0.748 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000109066963 436622770 /nfs/dbraw/zinc/62/27/70/436622770.db2.gz IBARJHGTMFRYMX-UWVGGRQHSA-N 1 1 329.378 0.974 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000532128557 302069898 /nfs/dbraw/zinc/06/98/98/302069898.db2.gz GCVNPWDIWZCKOU-UHFFFAOYSA-N 1 1 337.380 0.169 20 5 ECBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC000150726471 436688191 /nfs/dbraw/zinc/68/81/91/436688191.db2.gz DEYRAWCOPTVGND-LBPRGKRZSA-N 1 1 325.369 0.266 20 5 ECBDMO O=C(C1CC1)N1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000121248895 436712202 /nfs/dbraw/zinc/71/22/02/436712202.db2.gz YCWCSJYMQDWEGK-AWEZNQCLSA-N 1 1 337.380 0.097 20 5 ECBDMO CN1CCN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331434 436713768 /nfs/dbraw/zinc/71/37/68/436713768.db2.gz LAEMXKBSPGDDIL-ZDUSSCGKSA-N 1 1 348.407 0.250 20 5 ECBDMO CN1CCN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000121331434 436713772 /nfs/dbraw/zinc/71/37/72/436713772.db2.gz LAEMXKBSPGDDIL-ZDUSSCGKSA-N 1 1 348.407 0.250 20 5 ECBDMO CN1CCN([C@@H]2CCCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000120048935 436677571 /nfs/dbraw/zinc/67/75/71/436677571.db2.gz IZSILPLODKCVNQ-OAHLLOKOSA-N 1 1 336.440 0.893 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCCC[NH+]1CCOCC1 ZINC000272901313 436727549 /nfs/dbraw/zinc/72/75/49/436727549.db2.gz MAXVHFNYJWVICU-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO COCCO[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000245816869 436769234 /nfs/dbraw/zinc/76/92/34/436769234.db2.gz DEUWSVRUYWQKJY-ZIAGYGMSSA-N 1 1 328.369 0.280 20 5 ECBDMO CN(C(=O)C[NH2+][C@H](CO)c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000273924512 436788394 /nfs/dbraw/zinc/78/83/94/436788394.db2.gz BSQOHZAWIIHIGG-CQSZACIVSA-N 1 1 333.348 0.614 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000251690622 436829585 /nfs/dbraw/zinc/82/95/85/436829585.db2.gz HXOZKCSWDPIXOY-RYUDHWBXSA-N 1 1 325.369 0.095 20 5 ECBDMO C[NH+](C)CCOc1cc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])ccn1 ZINC000135211401 436911631 /nfs/dbraw/zinc/91/16/31/436911631.db2.gz WPOJNKRTRDNLQM-UHFFFAOYSA-N 1 1 334.336 0.583 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882064 436930384 /nfs/dbraw/zinc/93/03/84/436930384.db2.gz DLOUZHBCQFDGOU-BLLLJJGKSA-N 1 1 346.343 0.424 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000280882064 436930386 /nfs/dbraw/zinc/93/03/86/436930386.db2.gz DLOUZHBCQFDGOU-BLLLJJGKSA-N 1 1 346.343 0.424 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000275159125 436932129 /nfs/dbraw/zinc/93/21/29/436932129.db2.gz IJDVUAYHCZHROP-AWEZNQCLSA-N 1 1 333.348 0.898 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275193136 436938215 /nfs/dbraw/zinc/93/82/15/436938215.db2.gz GCCAAVFTDNNCNM-VHSXEESVSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000275193136 436938219 /nfs/dbraw/zinc/93/82/19/436938219.db2.gz GCCAAVFTDNNCNM-VHSXEESVSA-N 1 1 325.369 0.164 20 5 ECBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)CN1CCOCC1 ZINC000283048421 437023101 /nfs/dbraw/zinc/02/31/01/437023101.db2.gz ITCNUMQXJWDNLD-CYBMUJFWSA-N 1 1 327.356 0.859 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000264466882 437033978 /nfs/dbraw/zinc/03/39/78/437033978.db2.gz FOWSLWMCHKMAFP-SNVBAGLBSA-N 1 1 326.328 0.767 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000264637831 437057087 /nfs/dbraw/zinc/05/70/87/437057087.db2.gz VHCFYKXCPNJXHB-AWEZNQCLSA-N 1 1 349.391 0.734 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000264700797 437067081 /nfs/dbraw/zinc/06/70/81/437067081.db2.gz DAATZRRVKLTODG-NSHDSACASA-N 1 1 340.355 0.475 20 5 ECBDMO C[NH+]1CCC(N2CCC(Nc3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC000299467805 437080166 /nfs/dbraw/zinc/08/01/66/437080166.db2.gz LVVDWYOHVIVZQC-UHFFFAOYSA-N 1 1 335.412 0.938 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000264855663 437094745 /nfs/dbraw/zinc/09/47/45/437094745.db2.gz PIZWTDBUWCLVMN-CYBMUJFWSA-N 1 1 349.391 0.204 20 5 ECBDMO CNS(=O)(=O)c1ccc(NCCc2c[nH+]cn2C)c([N+](=O)[O-])c1 ZINC000302160260 437142259 /nfs/dbraw/zinc/14/22/59/437142259.db2.gz NWVYNWFQFWTJMU-UHFFFAOYSA-N 1 1 339.377 0.891 20 5 ECBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@@H+]1CCO ZINC000302460414 437142521 /nfs/dbraw/zinc/14/25/21/437142521.db2.gz UIUCCZMBDVHAAY-LLVKDONJSA-N 1 1 334.376 0.982 20 5 ECBDMO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC[N@H+]1CCO ZINC000302460414 437142525 /nfs/dbraw/zinc/14/25/25/437142525.db2.gz UIUCCZMBDVHAAY-LLVKDONJSA-N 1 1 334.376 0.982 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000265430003 437129206 /nfs/dbraw/zinc/12/92/06/437129206.db2.gz RSWYYDZBTJILMO-UHFFFAOYSA-N 1 1 338.364 0.401 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3[C@@H](CO)CC[C@@H]3CO)n2)cc1 ZINC000287562795 437205519 /nfs/dbraw/zinc/20/55/19/437205519.db2.gz WYTSATCNKMJYKO-CHWSQXEVSA-N 1 1 334.332 0.962 20 5 ECBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC[NH+]1CCC(O)CC1 ZINC000321213985 437211590 /nfs/dbraw/zinc/21/15/90/437211590.db2.gz XIJUOPHQCVAGTI-UHFFFAOYSA-N 1 1 343.405 0.471 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000179504525 437265990 /nfs/dbraw/zinc/26/59/90/437265990.db2.gz IHTLJMFHQFVPNY-NSHDSACASA-N 1 1 325.369 0.415 20 5 ECBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000287725856 437226145 /nfs/dbraw/zinc/22/61/45/437226145.db2.gz YFNFXNHCNODKKL-PHIMTYICSA-N 1 1 325.369 0.937 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CC1 ZINC000287870386 437247061 /nfs/dbraw/zinc/24/70/61/437247061.db2.gz LQBWDUURHNYYOJ-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000278375737 437308672 /nfs/dbraw/zinc/30/86/72/437308672.db2.gz KUYBDEHJRNAQRK-AOOOYVTPSA-N 1 1 329.353 0.916 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000288267647 437301016 /nfs/dbraw/zinc/30/10/16/437301016.db2.gz GTFJZEXKWUHCFA-NSHDSACASA-N 1 1 338.364 0.669 20 5 ECBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182041011 437335313 /nfs/dbraw/zinc/33/53/13/437335313.db2.gz JMKXTMLSPSSMJO-NSHDSACASA-N 1 1 325.365 0.920 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000343034893 437485998 /nfs/dbraw/zinc/48/59/98/437485998.db2.gz BVSCXRSONSMKCX-NSHDSACASA-N 1 1 338.364 0.588 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000343034893 437486003 /nfs/dbraw/zinc/48/60/03/437486003.db2.gz BVSCXRSONSMKCX-NSHDSACASA-N 1 1 338.364 0.588 20 5 ECBDMO C[C@@H]1[C@H](N2CCOCC2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000289836278 437444060 /nfs/dbraw/zinc/44/40/60/437444060.db2.gz OWIFBNYXWMNLDH-UKRRQHHQSA-N 1 1 336.392 0.552 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289910623 437448462 /nfs/dbraw/zinc/44/84/62/437448462.db2.gz NYMJZAKYHDAWKH-YPMHNXCESA-N 1 1 340.771 0.949 20 5 ECBDMO CC(C)[N@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269120486 437457253 /nfs/dbraw/zinc/45/72/53/437457253.db2.gz TXTFIYQHPCQMIA-UHFFFAOYSA-N 1 1 325.321 0.965 20 5 ECBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000269120486 437457257 /nfs/dbraw/zinc/45/72/57/437457257.db2.gz TXTFIYQHPCQMIA-UHFFFAOYSA-N 1 1 325.321 0.965 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000360108781 437521257 /nfs/dbraw/zinc/52/12/57/437521257.db2.gz YXKAWMGZKYKZJI-CHWSQXEVSA-N 1 1 341.389 0.736 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000360108781 437521264 /nfs/dbraw/zinc/52/12/64/437521264.db2.gz YXKAWMGZKYKZJI-CHWSQXEVSA-N 1 1 341.389 0.736 20 5 ECBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000360746957 437643869 /nfs/dbraw/zinc/64/38/69/437643869.db2.gz QRSQYMVXEFSIPW-LLVKDONJSA-N 1 1 325.369 0.295 20 5 ECBDMO CC(C)N1C(=O)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000330931469 437652586 /nfs/dbraw/zinc/65/25/86/437652586.db2.gz UHDCTQOPJAWBBN-ZDUSSCGKSA-N 1 1 339.396 0.483 20 5 ECBDMO CC(C)N1C(=O)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000330931469 437652589 /nfs/dbraw/zinc/65/25/89/437652589.db2.gz UHDCTQOPJAWBBN-ZDUSSCGKSA-N 1 1 339.396 0.483 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)n1 ZINC000191860505 437656279 /nfs/dbraw/zinc/65/62/79/437656279.db2.gz WZBACOCFDZKPKC-LBPRGKRZSA-N 1 1 339.396 0.778 20 5 ECBDMO CC[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@]2(CCOC2)O1 ZINC000361507987 437665038 /nfs/dbraw/zinc/66/50/38/437665038.db2.gz HVSZDOMOUUNVCV-RRFJBIMHSA-N 1 1 340.380 0.422 20 5 ECBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361507985 437665209 /nfs/dbraw/zinc/66/52/09/437665209.db2.gz HVSZDOMOUUNVCV-KFWWJZLASA-N 1 1 340.380 0.422 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000361558230 437670775 /nfs/dbraw/zinc/67/07/75/437670775.db2.gz VNOHXFMSENEADZ-XJKSGUPXSA-N 1 1 332.360 0.897 20 5 ECBDMO Nc1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000361699602 437680594 /nfs/dbraw/zinc/68/05/94/437680594.db2.gz HDTBTRVTLXLOOS-HIFRSBDPSA-N 1 1 334.376 0.848 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000355341832 437699804 /nfs/dbraw/zinc/69/98/04/437699804.db2.gz YHCPVSZDEKPLJA-SECBINFHSA-N 1 1 333.352 0.530 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000355341832 437699807 /nfs/dbraw/zinc/69/98/07/437699807.db2.gz YHCPVSZDEKPLJA-SECBINFHSA-N 1 1 333.352 0.530 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCN(C)CC1 ZINC000356140208 437750983 /nfs/dbraw/zinc/75/09/83/437750983.db2.gz GVSJZOWPODKMJC-CYBMUJFWSA-N 1 1 338.412 0.330 20 5 ECBDMO O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000370582020 437806970 /nfs/dbraw/zinc/80/69/70/437806970.db2.gz HWAVXIFMHBHXBV-ZDUSSCGKSA-N 1 1 349.391 0.126 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000372279624 438061187 /nfs/dbraw/zinc/06/11/87/438061187.db2.gz AIUDNJIFJAITLR-WCQYABFASA-N 1 1 326.353 0.834 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)C1 ZINC000358038598 438127270 /nfs/dbraw/zinc/12/72/70/438127270.db2.gz BGIWJINYOQDPMM-MRXNPFEDSA-N 1 1 334.376 0.966 20 5 ECBDMO C[C@@H]1C[N@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034608 438127298 /nfs/dbraw/zinc/12/72/98/438127298.db2.gz HIKPOPMGOVRQGY-BXUZGUMPSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](C)C[C@H]1NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358034608 438127302 /nfs/dbraw/zinc/12/73/02/438127302.db2.gz HIKPOPMGOVRQGY-BXUZGUMPSA-N 1 1 342.421 0.413 20 5 ECBDMO COc1cc(OCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358061763 438135708 /nfs/dbraw/zinc/13/57/08/438135708.db2.gz HCYOXYWQNZOTJH-OAHLLOKOSA-N 1 1 339.348 0.165 20 5 ECBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NC[C@@H]1CCCO1 ZINC000373234200 438139155 /nfs/dbraw/zinc/13/91/55/438139155.db2.gz VETPONVGCFZYAE-ZDUSSCGKSA-N 1 1 337.380 0.723 20 5 ECBDMO CC[C@@](C)([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O ZINC000351327456 438258874 /nfs/dbraw/zinc/25/88/74/438258874.db2.gz LOSRNZWEGKUHDP-CQSZACIVSA-N 1 1 338.320 0.506 20 5 ECBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000351486281 438267792 /nfs/dbraw/zinc/26/77/92/438267792.db2.gz MSSZVDZHYNZIEB-QWHCGFSZSA-N 1 1 330.348 0.400 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358672283 438276082 /nfs/dbraw/zinc/27/60/82/438276082.db2.gz VJLHXRLMIXGOKC-HNNXBMFYSA-N 1 1 338.364 0.469 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000368100437 438287295 /nfs/dbraw/zinc/28/72/95/438287295.db2.gz QFDLRKWFOBWNQU-BXUZGUMPSA-N 1 1 332.360 0.991 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000377680557 438323490 /nfs/dbraw/zinc/32/34/90/438323490.db2.gz QDLUQGCGKHJMJW-VXGBXAGGSA-N 1 1 332.360 0.991 20 5 ECBDMO C[N@@H+](C[C@H](O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000351713985 438324878 /nfs/dbraw/zinc/32/48/78/438324878.db2.gz XYYCLJIOAJROIV-DOMZBBRYSA-N 1 1 335.408 0.931 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000368294192 438310878 /nfs/dbraw/zinc/31/08/78/438310878.db2.gz OYHKLSWCQRDOIO-PWSUYJOCSA-N 1 1 340.405 0.773 20 5 ECBDMO COC(=O)c1cn([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC000368855695 438392158 /nfs/dbraw/zinc/39/21/58/438392158.db2.gz LIDWZFBVZZZYFU-JTQLQIEISA-N 1 1 335.324 0.116 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420635849 438416246 /nfs/dbraw/zinc/41/62/46/438416246.db2.gz MMVYGIKUVZISDA-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000353661245 438521370 /nfs/dbraw/zinc/52/13/70/438521370.db2.gz ORZZDCSWQCGSIS-HOCLYGCPSA-N 1 1 332.360 0.744 20 5 ECBDMO NC(=O)NC(=O)CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440504578 438554559 /nfs/dbraw/zinc/55/45/59/438554559.db2.gz MHYYEZCTZKXETP-JTQLQIEISA-N 1 1 336.352 0.451 20 5 ECBDMO C[C@@H]([NH3+])C[C@@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422943856 438618464 /nfs/dbraw/zinc/61/84/64/438618464.db2.gz YUIXSBFIFFJUCW-GHMZBOCLSA-N 1 1 330.410 0.589 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000451664038 438705173 /nfs/dbraw/zinc/70/51/73/438705173.db2.gz NFUGHDSDXNYVDT-ZDUSSCGKSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000451664038 438705176 /nfs/dbraw/zinc/70/51/76/438705176.db2.gz NFUGHDSDXNYVDT-ZDUSSCGKSA-N 1 1 343.405 0.720 20 5 ECBDMO Cn1c2cc(NCC[N@H+]3CCCOCC3)c([N+](=O)[O-])cc2n(C)c1=O ZINC000588027470 438814259 /nfs/dbraw/zinc/81/42/59/438814259.db2.gz FFQAWCSBMBVJOM-UHFFFAOYSA-N 1 1 349.391 0.919 20 5 ECBDMO COc1ccc(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000588864037 438845703 /nfs/dbraw/zinc/84/57/03/438845703.db2.gz XFXAOVGRYUAZIL-QWHCGFSZSA-N 1 1 335.360 0.885 20 5 ECBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[C@@H]2C1 ZINC000590044073 438898898 /nfs/dbraw/zinc/89/88/98/438898898.db2.gz GNLZRIIGGCAQIT-IAQYHMDHSA-N 1 1 342.359 0.952 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CC(C)(CO)CO)c1 ZINC000589502479 438876290 /nfs/dbraw/zinc/87/62/90/438876290.db2.gz WDAWZULWDCEEGF-UHFFFAOYSA-N 1 1 326.349 0.804 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CC(C)(CO)CO)c1 ZINC000589502479 438876295 /nfs/dbraw/zinc/87/62/95/438876295.db2.gz WDAWZULWDCEEGF-UHFFFAOYSA-N 1 1 326.349 0.804 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000590400495 438918708 /nfs/dbraw/zinc/91/87/08/438918708.db2.gz VBWHXFMEKWKCMO-YPMHNXCESA-N 1 1 336.348 0.631 20 5 ECBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000590440743 438924387 /nfs/dbraw/zinc/92/43/87/438924387.db2.gz BJPPUDSHGNPIKW-JSGCOSHPSA-N 1 1 332.360 0.487 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596092394 438924557 /nfs/dbraw/zinc/92/45/57/438924557.db2.gz VBZUPGJIFLOYLG-VIFPVBQESA-N 1 1 326.378 0.891 20 5 ECBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596092393 438925713 /nfs/dbraw/zinc/92/57/13/438925713.db2.gz VBZUPGJIFLOYLG-SECBINFHSA-N 1 1 326.378 0.891 20 5 ECBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590447262 438925978 /nfs/dbraw/zinc/92/59/78/438925978.db2.gz WZTCRVGMQRHMHX-SWLSCSKDSA-N 1 1 342.359 0.952 20 5 ECBDMO CC[N@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000596232048 438944106 /nfs/dbraw/zinc/94/41/06/438944106.db2.gz TVVNVVGSLUHJIL-JTQLQIEISA-N 1 1 328.394 0.773 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000590762674 438957399 /nfs/dbraw/zinc/95/73/99/438957399.db2.gz NAHHELNFJYRBKI-CMPLNLGQSA-N 1 1 341.389 0.928 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000566968525 439104047 /nfs/dbraw/zinc/10/40/47/439104047.db2.gz WNVDERFGCJVEEJ-AWEZNQCLSA-N 1 1 330.348 0.750 20 5 ECBDMO COc1ccc(OCCN2CC[N@@H+](C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000602905989 439157275 /nfs/dbraw/zinc/15/72/75/439157275.db2.gz WNCMSRKZOXQMHU-LBPRGKRZSA-N 1 1 325.365 0.591 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC(C[NH+]2CCOCC2)C1 ZINC000597682520 439157757 /nfs/dbraw/zinc/15/77/57/439157757.db2.gz QEEIIFBNUSZAGH-UHFFFAOYSA-N 1 1 349.343 0.728 20 5 ECBDMO CNc1c(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000597694522 439162207 /nfs/dbraw/zinc/16/22/07/439162207.db2.gz KWJIYSYJYZBBJN-UHFFFAOYSA-N 1 1 347.419 0.956 20 5 ECBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000597716971 439166300 /nfs/dbraw/zinc/16/63/00/439166300.db2.gz UTFGNYZAOIXQIB-INIZCTEOSA-N 1 1 334.376 0.701 20 5 ECBDMO CN(CC1CN(C)C1)c1ncnc(N(C)CC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC000603410244 439256582 /nfs/dbraw/zinc/25/65/82/439256582.db2.gz PRUGEUCHWBYUFM-UHFFFAOYSA-N 1 1 349.439 0.380 20 5 ECBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598452534 439264185 /nfs/dbraw/zinc/26/41/85/439264185.db2.gz LMORGUBKUVNKQH-LBPRGKRZSA-N 1 1 336.348 0.367 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])n1 ZINC000490522731 439271174 /nfs/dbraw/zinc/27/11/74/439271174.db2.gz BZWGVAGZIJEABK-CYBMUJFWSA-N 1 1 343.409 0.528 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000604489582 439316728 /nfs/dbraw/zinc/31/67/28/439316728.db2.gz OHRHKKSWBGMGBS-ZDUSSCGKSA-N 1 1 337.380 0.505 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593504552 439390422 /nfs/dbraw/zinc/39/04/22/439390422.db2.gz PTLXMDKUZNBOJY-LLVKDONJSA-N 1 1 336.348 0.340 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593504552 439390428 /nfs/dbraw/zinc/39/04/28/439390428.db2.gz PTLXMDKUZNBOJY-LLVKDONJSA-N 1 1 336.348 0.340 20 5 ECBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599255018 439401243 /nfs/dbraw/zinc/40/12/43/439401243.db2.gz ZHMMYSRAONUQJT-NSHDSACASA-N 1 1 345.425 0.681 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593507869 439388650 /nfs/dbraw/zinc/38/86/50/439388650.db2.gz ODJOHHNXVPROSK-LLVKDONJSA-N 1 1 336.348 0.422 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000593507869 439388654 /nfs/dbraw/zinc/38/86/54/439388654.db2.gz ODJOHHNXVPROSK-LLVKDONJSA-N 1 1 336.348 0.422 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)nc1 ZINC000593605136 439420822 /nfs/dbraw/zinc/42/08/22/439420822.db2.gz XXBBRIDKSHZGOR-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](CCCO)C2)nc1 ZINC000593605136 439420825 /nfs/dbraw/zinc/42/08/25/439420825.db2.gz XXBBRIDKSHZGOR-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000599313311 439427585 /nfs/dbraw/zinc/42/75/85/439427585.db2.gz IBZITYGHZMMTIJ-ZDUSSCGKSA-N 1 1 343.409 0.435 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000583180844 439430477 /nfs/dbraw/zinc/43/04/77/439430477.db2.gz SDNLNQNAYIDRGX-NSHDSACASA-N 1 1 325.369 0.891 20 5 ECBDMO CCC[C@H]1CN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000583180844 439430480 /nfs/dbraw/zinc/43/04/80/439430480.db2.gz SDNLNQNAYIDRGX-NSHDSACASA-N 1 1 325.369 0.891 20 5 ECBDMO Nc1nccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000594355954 439546399 /nfs/dbraw/zinc/54/63/99/439546399.db2.gz UYOFJFDODLEMFA-LBPRGKRZSA-N 1 1 349.391 0.756 20 5 ECBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000594369532 439549224 /nfs/dbraw/zinc/54/92/24/439549224.db2.gz LSVCOQWKTHUQOZ-ZDUSSCGKSA-N 1 1 333.392 0.980 20 5 ECBDMO COc1cc(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599939528 439581141 /nfs/dbraw/zinc/58/11/41/439581141.db2.gz WKMPWQQLCZLDAN-CHWSQXEVSA-N 1 1 335.360 0.885 20 5 ECBDMO CC(C)(C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000599938928 439581171 /nfs/dbraw/zinc/58/11/71/439581171.db2.gz STKZNWIKTBAVHA-AAEUAGOBSA-N 1 1 337.380 0.194 20 5 ECBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594601697 439581776 /nfs/dbraw/zinc/58/17/76/439581776.db2.gz GKFPIKGXPXEYPQ-WDEREUQCSA-N 1 1 336.348 0.340 20 5 ECBDMO Cn1c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000609664620 439583494 /nfs/dbraw/zinc/58/34/94/439583494.db2.gz CNXFLSYCTCVVQV-CYBMUJFWSA-N 1 1 335.408 0.785 20 5 ECBDMO COC(=O)C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610368534 439611955 /nfs/dbraw/zinc/61/19/55/439611955.db2.gz JAHBEBDNEHQXRA-DGCLKSJQSA-N 1 1 326.353 0.570 20 5 ECBDMO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000610782866 439646240 /nfs/dbraw/zinc/64/62/40/439646240.db2.gz DVKJJXVHRGQBJS-LBPRGKRZSA-N 1 1 330.410 0.999 20 5 ECBDMO CCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000610782866 439646242 /nfs/dbraw/zinc/64/62/42/439646242.db2.gz DVKJJXVHRGQBJS-LBPRGKRZSA-N 1 1 330.410 0.999 20 5 ECBDMO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCO1 ZINC000610906479 439655809 /nfs/dbraw/zinc/65/58/09/439655809.db2.gz HYCSMHOQCWYJBN-ZWNOBZJWSA-N 1 1 336.348 0.369 20 5 ECBDMO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](C)CCO1 ZINC000610906479 439655813 /nfs/dbraw/zinc/65/58/13/439655813.db2.gz HYCSMHOQCWYJBN-ZWNOBZJWSA-N 1 1 336.348 0.369 20 5 ECBDMO CO[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000573799186 439668657 /nfs/dbraw/zinc/66/86/57/439668657.db2.gz ADWDQCGXAKAENH-CHWSQXEVSA-N 1 1 330.362 0.372 20 5 ECBDMO CN(CC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH+](C)CC1 ZINC000611522625 439703399 /nfs/dbraw/zinc/70/33/99/439703399.db2.gz MKIXAKPEZJKFHN-UHFFFAOYSA-N 1 1 349.391 0.239 20 5 ECBDMO Cc1noc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000595346356 439708427 /nfs/dbraw/zinc/70/84/27/439708427.db2.gz UYMMEFJKOUWAIO-GFCCVEGCSA-N 1 1 337.380 0.630 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000600531267 439675376 /nfs/dbraw/zinc/67/53/76/439675376.db2.gz GRRPIGUJZDOBPE-LLVKDONJSA-N 1 1 337.332 0.162 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)n1 ZINC000617409296 439877413 /nfs/dbraw/zinc/87/74/13/439877413.db2.gz KYXXHVIYNNPITD-UHFFFAOYSA-N 1 1 325.369 0.340 20 5 ECBDMO C[NH+](C)CCOCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000319475405 320713075 /nfs/dbraw/zinc/71/30/75/320713075.db2.gz RODCUXPEMUZORA-UHFFFAOYSA-N 1 1 335.357 0.590 20 5 ECBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1c1ccccc1 ZINC000340378296 321037705 /nfs/dbraw/zinc/03/77/05/321037705.db2.gz QBGXONAKQIUAOM-OCCSQVGLSA-N 1 1 330.348 0.748 20 5 ECBDMO C[C@](O)(CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000342379693 321088049 /nfs/dbraw/zinc/08/80/49/321088049.db2.gz NYOSZQQTLPRUMN-HNNXBMFYSA-N 1 1 338.364 0.189 20 5 ECBDMO Cn1c(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000344692713 321160206 /nfs/dbraw/zinc/16/02/06/321160206.db2.gz ASKDZKMDKQGVSQ-CYBMUJFWSA-N 1 1 349.391 0.312 20 5 ECBDMO COc1cc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c([N+](=O)[O-])cc1O ZINC000350766328 321329848 /nfs/dbraw/zinc/32/98/48/321329848.db2.gz AQVZOGYYOONVLN-SNVBAGLBSA-N 1 1 346.361 0.212 20 5 ECBDMO COc1cc(C[N@H+](CCO)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352544495 321364000 /nfs/dbraw/zinc/36/40/00/321364000.db2.gz BEWSFADNGCCJSU-UHFFFAOYSA-N 1 1 339.392 0.730 20 5 ECBDMO COc1cc(C[N@@H+](CCO)CCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352544495 321364001 /nfs/dbraw/zinc/36/40/01/321364001.db2.gz BEWSFADNGCCJSU-UHFFFAOYSA-N 1 1 339.392 0.730 20 5 ECBDMO CSc1nnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000571315691 322717665 /nfs/dbraw/zinc/71/76/65/322717665.db2.gz JEAJEKPQLXKFDO-MRVPVSSYSA-N 1 1 330.395 0.515 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000184335745 528551646 /nfs/dbraw/zinc/55/16/46/528551646.db2.gz NRSOKXMVWIGDQL-UHFFFAOYSA-N 1 1 345.421 0.804 20 5 ECBDMO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)O ZINC000265171461 536174530 /nfs/dbraw/zinc/17/45/30/536174530.db2.gz YQDXZNZJSRLXOS-UHFFFAOYSA-N 1 1 325.321 0.965 20 5 ECBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)O ZINC000265171461 536174533 /nfs/dbraw/zinc/17/45/33/536174533.db2.gz YQDXZNZJSRLXOS-UHFFFAOYSA-N 1 1 325.321 0.965 20 5 ECBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000416497388 546208805 /nfs/dbraw/zinc/20/88/05/546208805.db2.gz SVAWYYFJOOXIPF-JTQLQIEISA-N 1 1 329.378 0.833 20 5 ECBDMO CN(C[C@@H]1C[N@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736866384 578459460 /nfs/dbraw/zinc/45/94/60/578459460.db2.gz DGYQUWCGYUJPMI-NSHDSACASA-N 1 1 333.352 0.542 20 5 ECBDMO CN(C[C@@H]1C[N@@H+](C)CCO1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736866384 578459461 /nfs/dbraw/zinc/45/94/61/578459461.db2.gz DGYQUWCGYUJPMI-NSHDSACASA-N 1 1 333.352 0.542 20 5 ECBDMO CC(C)N1CC[NH+](CCCOC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000792085325 578900101 /nfs/dbraw/zinc/90/01/01/578900101.db2.gz MMSIACFHCUFDNJ-UHFFFAOYSA-N 1 1 339.396 0.901 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000841456610 588988808 /nfs/dbraw/zinc/98/88/08/588988808.db2.gz JDBWZQCNGFENCA-LALPHHSUSA-N 1 1 337.376 0.542 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000841456610 588988810 /nfs/dbraw/zinc/98/88/10/588988810.db2.gz JDBWZQCNGFENCA-LALPHHSUSA-N 1 1 337.376 0.542 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840502599 586420759 /nfs/dbraw/zinc/42/07/59/586420759.db2.gz BUZBJJJVCBRVMC-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000840502599 586420760 /nfs/dbraw/zinc/42/07/60/586420760.db2.gz BUZBJJJVCBRVMC-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO C[C@H]([NH3+])c1nc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCO3)no1 ZINC000843215191 589054057 /nfs/dbraw/zinc/05/40/57/589054057.db2.gz FNOYRFZOCWVVPC-ZETCQYMHSA-N 1 1 349.303 0.950 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907564354 586735943 /nfs/dbraw/zinc/73/59/43/586735943.db2.gz OCXDUXOKBWFUNT-MFKMUULPSA-N 1 1 326.378 0.562 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)C1 ZINC000839621839 586883682 /nfs/dbraw/zinc/88/36/82/586883682.db2.gz JHCWZIQEJNZDMP-BPLDGKMQSA-N 1 1 346.387 0.988 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000808021676 587142353 /nfs/dbraw/zinc/14/23/53/587142353.db2.gz AVRMSUMQDYWDDC-JTQLQIEISA-N 1 1 337.355 0.436 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000817131839 587334443 /nfs/dbraw/zinc/33/44/43/587334443.db2.gz RWQGWGBCIXEFQN-LLVKDONJSA-N 1 1 328.394 0.773 20 5 ECBDMO COCC[N@H+]1CC[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821691035 587623115 /nfs/dbraw/zinc/62/31/15/587623115.db2.gz GDPCWUPUPFXUJU-VIFPVBQESA-N 1 1 334.340 0.303 20 5 ECBDMO O=[N+]([O-])c1cnc(N2CC[NH+]([C@H]3CCOC3)CC2)c(-c2nn[nH]n2)c1 ZINC000826500764 588063913 /nfs/dbraw/zinc/06/39/13/588063913.db2.gz LJBRYWZNZIKZRU-JTQLQIEISA-N 1 1 346.351 0.081 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000827375022 588115878 /nfs/dbraw/zinc/11/58/78/588115878.db2.gz SEHLBRGQUMQNSQ-DZGCQCFKSA-N 1 1 346.387 0.877 20 5 ECBDMO COC(=O)CC[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000828405000 588176967 /nfs/dbraw/zinc/17/69/67/588176967.db2.gz GGWYZWCSGCQVNK-LBPRGKRZSA-N 1 1 329.397 0.918 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@@H]1C ZINC000828405000 588176969 /nfs/dbraw/zinc/17/69/69/588176969.db2.gz GGWYZWCSGCQVNK-LBPRGKRZSA-N 1 1 329.397 0.918 20 5 ECBDMO CO[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1O ZINC000832008156 588462618 /nfs/dbraw/zinc/46/26/18/588462618.db2.gz WPTVJUXEZGEIBE-CHWSQXEVSA-N 1 1 327.312 0.754 20 5 ECBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347677 589841492 /nfs/dbraw/zinc/84/14/92/589841492.db2.gz QQAPPWNCCAXLSE-GXTWGEPZSA-N 1 1 326.353 0.834 20 5 ECBDMO CNc1c(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000861714157 589878460 /nfs/dbraw/zinc/87/84/60/589878460.db2.gz IOWANYUGDOTNRV-NEPJUHHUSA-N 1 1 334.376 0.918 20 5 ECBDMO Cc1c(C[NH2+]C2CN(S(=O)(=O)N(C)C)C2)cccc1[N+](=O)[O-] ZINC000873146287 590185314 /nfs/dbraw/zinc/18/53/14/590185314.db2.gz RNUHTERLLIIRNS-UHFFFAOYSA-N 1 1 328.394 0.483 20 5 ECBDMO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)CN1CCN(C)CC1 ZINC000877017986 590433659 /nfs/dbraw/zinc/43/36/59/590433659.db2.gz YLMQPHNFHMVYIR-NFOMZHRRSA-N 1 1 336.440 0.968 20 5 ECBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000886595343 590862776 /nfs/dbraw/zinc/86/27/76/590862776.db2.gz HMBAGAYOPDLSMM-ZDUSSCGKSA-N 1 1 336.392 0.945 20 5 ECBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000886595343 590862781 /nfs/dbraw/zinc/86/27/81/590862781.db2.gz HMBAGAYOPDLSMM-ZDUSSCGKSA-N 1 1 336.392 0.945 20 5 ECBDMO CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000888995466 591037116 /nfs/dbraw/zinc/03/71/16/591037116.db2.gz PSJDFFLXNXHQGZ-UHFFFAOYSA-N 1 1 336.392 0.679 20 5 ECBDMO Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589252 611356585 /nfs/dbraw/zinc/35/65/85/611356585.db2.gz OJMMWNZVCLKKLQ-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1cncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589252 611356586 /nfs/dbraw/zinc/35/65/86/611356586.db2.gz OJMMWNZVCLKKLQ-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1cncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589252 611356587 /nfs/dbraw/zinc/35/65/87/611356587.db2.gz OJMMWNZVCLKKLQ-OCVGTWLNSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589141 611356696 /nfs/dbraw/zinc/35/66/96/611356696.db2.gz IHTODBXGFHANIZ-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO Cn1nncc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589141 611356697 /nfs/dbraw/zinc/35/66/97/611356697.db2.gz IHTODBXGFHANIZ-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO Cn1nncc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589141 611356698 /nfs/dbraw/zinc/35/66/98/611356698.db2.gz IHTODBXGFHANIZ-AYRXBEOTSA-N 1 1 348.407 0.151 20 5 ECBDMO C[C@H]1[C@@H](NC(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC[N@H+]1C ZINC000925334156 611470669 /nfs/dbraw/zinc/47/06/69/611470669.db2.gz AONHDPALJHRBLU-STQMWFEESA-N 1 1 348.407 0.914 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000931407359 611538058 /nfs/dbraw/zinc/53/80/58/611538058.db2.gz WJOTZQIDTXCJIM-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1CO ZINC000931407359 611538060 /nfs/dbraw/zinc/53/80/60/611538060.db2.gz WJOTZQIDTXCJIM-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO COCC[NH+](CCOC)C1CN(C(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000911860592 609916619 /nfs/dbraw/zinc/91/66/19/609916619.db2.gz XQQVUPGVLFLTLD-UHFFFAOYSA-N 1 1 340.380 0.353 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)CC2)cn1 ZINC000923304230 611226930 /nfs/dbraw/zinc/22/69/30/611226930.db2.gz PQBUYUADDGARFM-AWEZNQCLSA-N 1 1 333.392 0.490 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000933944160 611761847 /nfs/dbraw/zinc/76/18/47/611761847.db2.gz PJGWNIAMVPEVTC-UHFFFAOYSA-N 1 1 339.396 0.669 20 5 ECBDMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)n1 ZINC001025768017 739933700 /nfs/dbraw/zinc/93/37/00/739933700.db2.gz SIXFVEBJIHTCNP-IMRBUKKESA-N 1 1 342.359 0.584 20 5 ECBDMO Cn1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4[N+](=O)[O-])C[C@H]32)n1 ZINC001025768017 739933701 /nfs/dbraw/zinc/93/37/01/739933701.db2.gz SIXFVEBJIHTCNP-IMRBUKKESA-N 1 1 342.359 0.584 20 5 ECBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21)c1nnc[nH]1 ZINC001026114633 740386440 /nfs/dbraw/zinc/38/64/40/740386440.db2.gz CDFNDZYTJIRZKJ-ITGUQSILSA-N 1 1 328.332 0.573 20 5 ECBDMO Cn1cc(C[NH+]2CCC(C3(NC(=O)[C@@H]4CC4[N+](=O)[O-])CC3)CC2)cn1 ZINC001000153062 745295516 /nfs/dbraw/zinc/29/55/16/745295516.db2.gz IALHVCFRZSLMDN-HUUCEWRRSA-N 1 1 347.419 0.946 20 5 ECBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985617593 748749233 /nfs/dbraw/zinc/74/92/33/748749233.db2.gz MFKAIYDCDWYBDZ-UHFFFAOYSA-N 1 1 326.378 0.564 20 5 ECBDMO CC(C)CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])C(C)C ZINC001126936931 756767027 /nfs/dbraw/zinc/76/70/27/756767027.db2.gz XKUJDSXMGBILJB-CHWSQXEVSA-N 1 1 328.413 0.250 20 5 ECBDMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812762 757075749 /nfs/dbraw/zinc/07/57/49/757075749.db2.gz PLEGCPJQHPEDMF-QVHKTLOISA-N 1 1 334.376 0.847 20 5 ECBDMO Cc1noc(C)c1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812762 757075757 /nfs/dbraw/zinc/07/57/57/757075757.db2.gz PLEGCPJQHPEDMF-QVHKTLOISA-N 1 1 334.376 0.847 20 5 ECBDMO Cc1noc(C)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048812762 757075766 /nfs/dbraw/zinc/07/57/66/757075766.db2.gz PLEGCPJQHPEDMF-QVHKTLOISA-N 1 1 334.376 0.847 20 5 ECBDMO COc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996440302 757606078 /nfs/dbraw/zinc/60/60/78/757606078.db2.gz KYDCKBBCQMNLMQ-CHWSQXEVSA-N 1 1 335.364 0.231 20 5 ECBDMO Cc1cc(CC(=O)N[C@H]2C[C@@H]([NH2+]Cc3c([N+](=O)[O-])ncn3C)C2)[nH]n1 ZINC001021959048 758097747 /nfs/dbraw/zinc/09/77/47/758097747.db2.gz NCERJENUBMFUIE-PHIMTYICSA-N 1 1 347.379 0.339 20 5 ECBDMO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001022063728 758226043 /nfs/dbraw/zinc/22/60/43/758226043.db2.gz JDCSZWBPEMBUOW-LXTVHRRPSA-N 1 1 346.387 0.448 20 5 ECBDMO Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)[nH]1 ZINC001050325841 760130662 /nfs/dbraw/zinc/13/06/62/760130662.db2.gz NXYHHGXQCLAHIH-FDYHWXHSSA-N 1 1 336.396 0.543 20 5 ECBDMO Cn1cc(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)[nH]c1=O ZINC001031949731 763745011 /nfs/dbraw/zinc/74/50/11/763745011.db2.gz FQCCQHQARQDFHI-UHFFFAOYSA-N 1 1 345.359 0.896 20 5 ECBDMO Cn1nccc1CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725580 788652229 /nfs/dbraw/zinc/65/22/29/788652229.db2.gz PNCYBNADRCRTHE-ZIAGYGMSSA-N 1 1 333.392 0.162 20 5 ECBDMO Cn1nccc1CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725580 788652235 /nfs/dbraw/zinc/65/22/35/788652235.db2.gz PNCYBNADRCRTHE-ZIAGYGMSSA-N 1 1 333.392 0.162 20 5 ECBDMO Cn1nccc1CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725580 788652242 /nfs/dbraw/zinc/65/22/42/788652242.db2.gz PNCYBNADRCRTHE-ZIAGYGMSSA-N 1 1 333.392 0.162 20 5 ECBDMO CN(CCNCc1c([N+](=O)[O-])ncn1C)C(=O)C1CC[NH+](C)CC1 ZINC001267422216 837393204 /nfs/dbraw/zinc/39/32/04/837393204.db2.gz GVPVGCZICQAXMJ-UHFFFAOYSA-N 1 1 338.412 0.218 20 5 ECBDMO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])n(C)c1=O ZINC001266365202 835777417 /nfs/dbraw/zinc/77/74/17/835777417.db2.gz RJRVFDARFHXJHY-UHFFFAOYSA-N 1 1 347.375 0.494 20 5 ECBDMO Cn1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])n(C)c1=O ZINC001266365202 835777429 /nfs/dbraw/zinc/77/74/29/835777429.db2.gz RJRVFDARFHXJHY-UHFFFAOYSA-N 1 1 347.375 0.494 20 5 ECBDMO C[N@@H+](CCNC(=O)CCn1cncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267184336 836938246 /nfs/dbraw/zinc/93/82/46/836938246.db2.gz ZOPVXYVAXYZULT-UHFFFAOYSA-N 1 1 332.364 0.825 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000131346724 529385461 /nfs/dbraw/zinc/38/54/61/529385461.db2.gz YWMKOAJMFIEOGJ-GFCCVEGCSA-N 1 1 325.369 0.015 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181679621 529899331 /nfs/dbraw/zinc/89/93/31/529899331.db2.gz VTWZTKKUXUYIQL-JSGCOSHPSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181679621 529899332 /nfs/dbraw/zinc/89/93/32/529899332.db2.gz VTWZTKKUXUYIQL-JSGCOSHPSA-N 1 1 337.376 0.935 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000425662534 210077661 /nfs/dbraw/zinc/07/76/61/210077661.db2.gz MPEYVMQVIGUTJT-UHFFFAOYSA-N 1 1 337.380 0.986 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000104598770 219397973 /nfs/dbraw/zinc/39/79/73/219397973.db2.gz DYJUCAVXXJZFGQ-RYUDHWBXSA-N 1 1 339.396 0.715 20 5 ECBDMO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000187272606 236164622 /nfs/dbraw/zinc/16/46/22/236164622.db2.gz XKLUWTZOSHWFQO-JTQLQIEISA-N 1 1 333.348 0.610 20 5 ECBDMO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000187272606 236164624 /nfs/dbraw/zinc/16/46/24/236164624.db2.gz XKLUWTZOSHWFQO-JTQLQIEISA-N 1 1 333.348 0.610 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH+](CCO)CC1 ZINC000021265720 212218082 /nfs/dbraw/zinc/21/80/82/212218082.db2.gz WPKNYDCSSWTFRB-UHFFFAOYSA-N 1 1 338.364 0.152 20 5 ECBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000246604238 243282019 /nfs/dbraw/zinc/28/20/19/243282019.db2.gz BVFMGAPLCSDWGA-UWVGGRQHSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000246604238 243282021 /nfs/dbraw/zinc/28/20/21/243282021.db2.gz BVFMGAPLCSDWGA-UWVGGRQHSA-N 1 1 340.355 0.843 20 5 ECBDMO CN(CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000356502357 299397399 /nfs/dbraw/zinc/39/73/99/299397399.db2.gz HBIAMDAXNKIUOQ-UHFFFAOYSA-N 1 1 325.369 0.309 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111596652 220168174 /nfs/dbraw/zinc/16/81/74/220168174.db2.gz IHADPEOLWMFUAU-UHFFFAOYSA-N 1 1 348.359 0.744 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264948934 247076574 /nfs/dbraw/zinc/07/65/74/247076574.db2.gz XQFJJMFEXKUGIN-UHFFFAOYSA-N 1 1 340.405 0.854 20 5 ECBDMO Cc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087926 /nfs/dbraw/zinc/08/79/26/247087926.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 1 1 338.412 0.724 20 5 ECBDMO Cc1[nH]nc(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087931 /nfs/dbraw/zinc/08/79/31/247087931.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 1 1 338.412 0.724 20 5 ECBDMO Cc1[nH]nc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1[N+](=O)[O-] ZINC000264960728 247087937 /nfs/dbraw/zinc/08/79/37/247087937.db2.gz ZPBYDENIPRUAIR-UHFFFAOYSA-N 1 1 338.412 0.724 20 5 ECBDMO C[NH+](C)CCN1CCC(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000265068617 247175343 /nfs/dbraw/zinc/17/53/43/247175343.db2.gz VPPMRFMYTIDCHO-UHFFFAOYSA-N 1 1 338.412 0.181 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000266164781 248142882 /nfs/dbraw/zinc/14/28/82/248142882.db2.gz URDZBSBNQYBPEJ-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000444173866 211055908 /nfs/dbraw/zinc/05/59/08/211055908.db2.gz DUDTWKPYRQQZFW-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000444173866 211055910 /nfs/dbraw/zinc/05/59/10/211055910.db2.gz DUDTWKPYRQQZFW-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000072796881 207582211 /nfs/dbraw/zinc/58/22/11/207582211.db2.gz YQKIMEYMPWJJFD-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000072796881 207582216 /nfs/dbraw/zinc/58/22/16/207582216.db2.gz YQKIMEYMPWJJFD-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926042 208378560 /nfs/dbraw/zinc/37/85/60/208378560.db2.gz VQLSVCKGZSQPSF-VIFPVBQESA-N 1 1 339.352 0.057 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926042 208378566 /nfs/dbraw/zinc/37/85/66/208378566.db2.gz VQLSVCKGZSQPSF-VIFPVBQESA-N 1 1 339.352 0.057 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926042 208378573 /nfs/dbraw/zinc/37/85/73/208378573.db2.gz VQLSVCKGZSQPSF-VIFPVBQESA-N 1 1 339.352 0.057 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)c1[N+](=O)[O-] ZINC000413926042 208378579 /nfs/dbraw/zinc/37/85/79/208378579.db2.gz VQLSVCKGZSQPSF-VIFPVBQESA-N 1 1 339.352 0.057 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255538202 296742934 /nfs/dbraw/zinc/74/29/34/296742934.db2.gz QVQNZBAQJCJXHF-DAXSKMNVSA-N 1 1 346.387 0.888 20 5 ECBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248857823 165189324 /nfs/dbraw/zinc/18/93/24/165189324.db2.gz RLVJOEQEXHAPFD-DEQVHRJGSA-N 1 1 338.364 0.426 20 5 ECBDMO COC(=O)[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000248957556 165191445 /nfs/dbraw/zinc/19/14/45/165191445.db2.gz ATYVCLHCGGGASB-CYZMBNFOSA-N 1 1 326.353 0.283 20 5 ECBDMO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159437176 225217419 /nfs/dbraw/zinc/21/74/19/225217419.db2.gz WUAXTAILYSHGBU-AAEUAGOBSA-N 1 1 337.380 0.816 20 5 ECBDMO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000159437061 225217497 /nfs/dbraw/zinc/21/74/97/225217497.db2.gz WUAXTAILYSHGBU-YPMHNXCESA-N 1 1 337.380 0.816 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000331373005 296923851 /nfs/dbraw/zinc/92/38/51/296923851.db2.gz JOGKGOCEFCUKJH-GFCCVEGCSA-N 1 1 337.380 0.431 20 5 ECBDMO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000264439262 263177833 /nfs/dbraw/zinc/17/78/33/263177833.db2.gz ZBOPBZYKBUPPPI-AAEUAGOBSA-N 1 1 341.364 0.157 20 5 ECBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(N)=O ZINC000264439262 263177834 /nfs/dbraw/zinc/17/78/34/263177834.db2.gz ZBOPBZYKBUPPPI-AAEUAGOBSA-N 1 1 341.364 0.157 20 5 ECBDMO C[N@H+](CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000283187664 264092369 /nfs/dbraw/zinc/09/23/69/264092369.db2.gz LXKQRATWONJQEN-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO C[N@@H+](CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000283187664 264092371 /nfs/dbraw/zinc/09/23/71/264092371.db2.gz LXKQRATWONJQEN-UHFFFAOYSA-N 1 1 341.389 0.822 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000283297202 264104447 /nfs/dbraw/zinc/10/44/47/264104447.db2.gz XGSGUPAWYYBFSQ-SECBINFHSA-N 1 1 326.328 0.455 20 5 ECBDMO CCCc1n[nH]c(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827222 264242659 /nfs/dbraw/zinc/24/26/59/264242659.db2.gz AVADOXCKENEMRL-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827222 264242661 /nfs/dbraw/zinc/24/26/61/264242661.db2.gz AVADOXCKENEMRL-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO CCCc1[nH]nc(C(=O)N2CCO[C@H]3CC[N@@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000284827222 264242662 /nfs/dbraw/zinc/24/26/62/264242662.db2.gz AVADOXCKENEMRL-NEPJUHHUSA-N 1 1 337.380 0.816 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])CC1 ZINC000288109487 264503372 /nfs/dbraw/zinc/50/33/72/264503372.db2.gz SEVQWVNBSOEELX-ZDUSSCGKSA-N 1 1 336.392 0.845 20 5 ECBDMO COC(=O)Cc1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1 ZINC000295473234 265068134 /nfs/dbraw/zinc/06/81/34/265068134.db2.gz ITBGEYZKXKZBBC-UHFFFAOYSA-N 1 1 337.376 0.815 20 5 ECBDMO CC(C)(C)OC(=O)C1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000296079777 265094156 /nfs/dbraw/zinc/09/41/56/265094156.db2.gz YLBPEEWUISSLTF-GFCCVEGCSA-N 1 1 326.353 0.426 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC000298921513 265300858 /nfs/dbraw/zinc/30/08/58/265300858.db2.gz AVYZYPNLXRMGAT-UHFFFAOYSA-N 1 1 349.391 0.549 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3cc([N+](=O)[O-])ccc3S(N)(=O)=O)C[C@@H]21 ZINC000371702651 277177911 /nfs/dbraw/zinc/17/79/11/277177911.db2.gz ZCBQZXSVQDCCMG-GWCFXTLKSA-N 1 1 340.405 0.773 20 5 ECBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343533791 437601622 /nfs/dbraw/zinc/60/16/22/437601622.db2.gz HOOPQZFZKSDFGX-AGIUHOORSA-N 1 1 335.360 0.687 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389271 297345095 /nfs/dbraw/zinc/34/50/95/297345095.db2.gz FGDBJHSVUSLNGR-CVEARBPZSA-N 1 1 348.403 0.989 20 5 ECBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 ZINC000345569093 298169271 /nfs/dbraw/zinc/16/92/71/298169271.db2.gz PUTNFXAYZORIQS-SNVBAGLBSA-N 1 1 345.377 0.379 20 5 ECBDMO COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373235375 301053421 /nfs/dbraw/zinc/05/34/21/301053421.db2.gz ZDRRXFLKNKUCAU-JTQLQIEISA-N 1 1 339.352 0.106 20 5 ECBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376174084 301240010 /nfs/dbraw/zinc/24/00/10/301240010.db2.gz PAGLDXOZCMRFFX-VXGBXAGGSA-N 1 1 332.364 0.937 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726457 301369276 /nfs/dbraw/zinc/36/92/76/301369276.db2.gz PJLUKBDPLAFGTO-OCCSQVGLSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726457 301369279 /nfs/dbraw/zinc/36/92/79/301369279.db2.gz PJLUKBDPLAFGTO-OCCSQVGLSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(NC1CC[NH+](CC2(O)CCCCC2)CC1)[C@H]1CC1[N+](=O)[O-] ZINC000089344413 436409674 /nfs/dbraw/zinc/40/96/74/436409674.db2.gz LDCBTKQAGHENRF-UONOGXRCSA-N 1 1 325.409 0.927 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000048315472 436448868 /nfs/dbraw/zinc/44/88/68/436448868.db2.gz OWYDJEUIQUEGDZ-UHFFFAOYSA-N 1 1 344.375 0.921 20 5 ECBDMO COCC[N@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620201 436414657 /nfs/dbraw/zinc/41/46/57/436414657.db2.gz INYXDXAMJARERW-UHFFFAOYSA-N 1 1 331.394 0.988 20 5 ECBDMO COCC[N@@H+](C)CCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000089620201 436414661 /nfs/dbraw/zinc/41/46/61/436414661.db2.gz INYXDXAMJARERW-UHFFFAOYSA-N 1 1 331.394 0.988 20 5 ECBDMO Cn1cc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O ZINC000093338377 436484914 /nfs/dbraw/zinc/48/49/14/436484914.db2.gz BOURXQCRDKENOO-UHFFFAOYSA-N 1 1 330.344 0.551 20 5 ECBDMO Cn1cc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)c(=O)n(C)c1=O ZINC000093338377 436484917 /nfs/dbraw/zinc/48/49/17/436484917.db2.gz BOURXQCRDKENOO-UHFFFAOYSA-N 1 1 330.344 0.551 20 5 ECBDMO C[N@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1 ZINC000106884720 436603579 /nfs/dbraw/zinc/60/35/79/436603579.db2.gz JYDOLEJJYQXYKM-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO C[N@@H+](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCOC1 ZINC000106884720 436603580 /nfs/dbraw/zinc/60/35/80/436603580.db2.gz JYDOLEJJYQXYKM-MRXNPFEDSA-N 1 1 348.403 0.964 20 5 ECBDMO COc1ccc(C(=O)NCCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000061523882 436637402 /nfs/dbraw/zinc/63/74/02/436637402.db2.gz YEBYWVYMSGPQNA-UHFFFAOYSA-N 1 1 336.392 0.971 20 5 ECBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000539803690 302173453 /nfs/dbraw/zinc/17/34/53/302173453.db2.gz XHOMNCJRCAVCMG-MNOVXSKESA-N 1 1 326.378 0.705 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cccnc3[N+](=O)[O-])[C@H]2C1 ZINC000539803690 302173455 /nfs/dbraw/zinc/17/34/55/302173455.db2.gz XHOMNCJRCAVCMG-MNOVXSKESA-N 1 1 326.378 0.705 20 5 ECBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000119637625 436669935 /nfs/dbraw/zinc/66/99/35/436669935.db2.gz MYRMPFIKXHEEFB-ZDUSSCGKSA-N 1 1 336.392 0.851 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000067725690 436722646 /nfs/dbraw/zinc/72/26/46/436722646.db2.gz CQWFENJIHWOHAP-UHFFFAOYSA-N 1 1 349.391 0.558 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000067807655 436724063 /nfs/dbraw/zinc/72/40/63/436724063.db2.gz WXKYJBWZLRDHPZ-ZDUSSCGKSA-N 1 1 339.396 0.573 20 5 ECBDMO COCCC[N@@H+](C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273510064 436760603 /nfs/dbraw/zinc/76/06/03/436760603.db2.gz UJQDICSXUPXICK-UHFFFAOYSA-N 1 1 346.409 0.622 20 5 ECBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126685847 436789744 /nfs/dbraw/zinc/78/97/44/436789744.db2.gz YQHXILRHLQBCGW-GXFFZTMASA-N 1 1 339.396 0.634 20 5 ECBDMO Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(C)c1[N+](=O)[O-] ZINC000126685847 436789748 /nfs/dbraw/zinc/78/97/48/436789748.db2.gz YQHXILRHLQBCGW-GXFFZTMASA-N 1 1 339.396 0.634 20 5 ECBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCO1 ZINC000126686567 436790914 /nfs/dbraw/zinc/79/09/14/436790914.db2.gz WCPYJTOAWCCSNZ-PWSUYJOCSA-N 1 1 325.369 0.362 20 5 ECBDMO C[C@@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](C)CCO1 ZINC000126686567 436790918 /nfs/dbraw/zinc/79/09/18/436790918.db2.gz WCPYJTOAWCCSNZ-PWSUYJOCSA-N 1 1 325.369 0.362 20 5 ECBDMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000274076307 436796412 /nfs/dbraw/zinc/79/64/12/436796412.db2.gz RXPNOKJBZSUIDH-IINYFYTJSA-N 1 1 333.348 0.979 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155709635 436801397 /nfs/dbraw/zinc/80/13/97/436801397.db2.gz NJPVBHRSSZVIIL-STQMWFEESA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000155709635 436801400 /nfs/dbraw/zinc/80/14/00/436801400.db2.gz NJPVBHRSSZVIIL-STQMWFEESA-N 1 1 329.378 0.252 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131562837 436855717 /nfs/dbraw/zinc/85/57/17/436855717.db2.gz NEQUTNPJHPVFRT-CYBMUJFWSA-N 1 1 336.396 0.205 20 5 ECBDMO NC(=O)[C@H]1CCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000131562837 436855719 /nfs/dbraw/zinc/85/57/19/436855719.db2.gz NEQUTNPJHPVFRT-CYBMUJFWSA-N 1 1 336.396 0.205 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC=CCC1 ZINC000280226989 436872503 /nfs/dbraw/zinc/87/25/03/436872503.db2.gz LGOMGXCBVRCXCU-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC=CCC1 ZINC000280226989 436872504 /nfs/dbraw/zinc/87/25/04/436872504.db2.gz LGOMGXCBVRCXCU-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C2)C1 ZINC000293857562 436915281 /nfs/dbraw/zinc/91/52/81/436915281.db2.gz DLZOKUPYXMONBW-INIZCTEOSA-N 1 1 334.376 0.701 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262094238 436907450 /nfs/dbraw/zinc/90/74/50/436907450.db2.gz YTLVJUYOWFBKOY-CYBMUJFWSA-N 1 1 330.348 0.668 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000275407335 436964982 /nfs/dbraw/zinc/96/49/82/436964982.db2.gz CJYKCKPEJZAUAV-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000275407335 436964984 /nfs/dbraw/zinc/96/49/84/436964984.db2.gz CJYKCKPEJZAUAV-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170690807 436949702 /nfs/dbraw/zinc/94/97/02/436949702.db2.gz UBQZIIPGBAGLCQ-LLVKDONJSA-N 1 1 328.394 0.600 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170690807 436949706 /nfs/dbraw/zinc/94/97/06/436949706.db2.gz UBQZIIPGBAGLCQ-LLVKDONJSA-N 1 1 328.394 0.600 20 5 ECBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000263915854 437002006 /nfs/dbraw/zinc/00/20/06/437002006.db2.gz PPKRWKBJOBDQFV-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000276186888 437070323 /nfs/dbraw/zinc/07/03/23/437070323.db2.gz LFBDKZOJZKSZQR-WDEREUQCSA-N 1 1 341.364 0.606 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000276186888 437070327 /nfs/dbraw/zinc/07/03/27/437070327.db2.gz LFBDKZOJZKSZQR-WDEREUQCSA-N 1 1 341.364 0.606 20 5 ECBDMO Cn1nccc1[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414553 437092063 /nfs/dbraw/zinc/09/20/63/437092063.db2.gz BZKDVMPAHYSMIM-TZMCWYRMSA-N 1 1 334.380 0.765 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[N@H+](CC)CC2)c([N+](=O)[O-])n1 ZINC000331577590 437124381 /nfs/dbraw/zinc/12/43/81/437124381.db2.gz FGHNUSUGTFZVIS-UHFFFAOYSA-N 1 1 331.398 0.528 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[N@@H+](CC)CC2)c([N+](=O)[O-])n1 ZINC000331577590 437124386 /nfs/dbraw/zinc/12/43/86/437124386.db2.gz FGHNUSUGTFZVIS-UHFFFAOYSA-N 1 1 331.398 0.528 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000265480174 437137163 /nfs/dbraw/zinc/13/71/63/437137163.db2.gz CPDGYPDZRDJPFK-UHFFFAOYSA-N 1 1 337.380 0.811 20 5 ECBDMO O=C([C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1)N1CCCC1 ZINC000287414732 437187783 /nfs/dbraw/zinc/18/77/83/437187783.db2.gz ORPYRSGMYGVSPZ-CYBMUJFWSA-N 1 1 334.376 0.701 20 5 ECBDMO O=C(C[NH+]1[C@@H](CO)CC[C@@H]1CO)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000287517677 437199375 /nfs/dbraw/zinc/19/93/75/437199375.db2.gz UTONSIBAHQFAMJ-ZIAGYGMSSA-N 1 1 335.360 0.302 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000331867585 437170764 /nfs/dbraw/zinc/17/07/64/437170764.db2.gz CBFJAXFTPZKSCX-HUUCEWRRSA-N 1 1 334.376 0.938 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000266179856 437221352 /nfs/dbraw/zinc/22/13/52/437221352.db2.gz YHYUNQIMOLRLCH-AWEZNQCLSA-N 1 1 334.376 0.973 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCCO1 ZINC000278737201 437338896 /nfs/dbraw/zinc/33/88/96/437338896.db2.gz WMFJYDNSWVXVIJ-NSHDSACASA-N 1 1 338.364 0.926 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000339040046 437435294 /nfs/dbraw/zinc/43/52/94/437435294.db2.gz OZBVEGGBBFUQAK-JTQLQIEISA-N 1 1 331.398 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000339040046 437435297 /nfs/dbraw/zinc/43/52/97/437435297.db2.gz OZBVEGGBBFUQAK-JTQLQIEISA-N 1 1 331.398 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000330460438 437518612 /nfs/dbraw/zinc/51/86/12/437518612.db2.gz VOQQQYZQWLBKNR-QWRGUYRKSA-N 1 1 345.425 0.914 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000188729614 437570576 /nfs/dbraw/zinc/57/05/76/437570576.db2.gz SMWHNAMLBMITBK-LLVKDONJSA-N 1 1 325.369 0.015 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000188729614 437570580 /nfs/dbraw/zinc/57/05/80/437570580.db2.gz SMWHNAMLBMITBK-LLVKDONJSA-N 1 1 325.369 0.015 20 5 ECBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000189093250 437583456 /nfs/dbraw/zinc/58/34/56/437583456.db2.gz YBQBSONNHMNJTD-UHFFFAOYSA-N 1 1 343.405 0.737 20 5 ECBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000189093250 437583464 /nfs/dbraw/zinc/58/34/64/437583464.db2.gz YBQBSONNHMNJTD-UHFFFAOYSA-N 1 1 343.405 0.737 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291790493 437626418 /nfs/dbraw/zinc/62/64/18/437626418.db2.gz MRMVRTLSROKOLY-DLBZAZTESA-N 1 1 346.387 0.788 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000360746551 437644850 /nfs/dbraw/zinc/64/48/50/437644850.db2.gz IQZWBLGBEHYWJF-LLVKDONJSA-N 1 1 348.359 0.895 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361554599 437670016 /nfs/dbraw/zinc/67/00/16/437670016.db2.gz ULBLFZCOFUYPLV-CQSZACIVSA-N 1 1 341.389 0.566 20 5 ECBDMO C[C@@]1(C(N)=O)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000361554599 437670018 /nfs/dbraw/zinc/67/00/18/437670018.db2.gz ULBLFZCOFUYPLV-CQSZACIVSA-N 1 1 341.389 0.566 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)COc3ccc(C=O)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192526632 437680859 /nfs/dbraw/zinc/68/08/59/437680859.db2.gz MJALJMSZDWGKTR-BETUJISGSA-N 1 1 333.344 0.806 20 5 ECBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000370356292 437771081 /nfs/dbraw/zinc/77/10/81/437771081.db2.gz ZNZBIQWKTCZQRO-AWEZNQCLSA-N 1 1 336.396 0.078 20 5 ECBDMO CN1CCC[C@@]2(CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)C1=O ZINC000370413622 437779800 /nfs/dbraw/zinc/77/98/00/437779800.db2.gz OIXFLMHSUSBOFU-INIZCTEOSA-N 1 1 334.376 0.701 20 5 ECBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370548323 437801734 /nfs/dbraw/zinc/80/17/34/437801734.db2.gz UZOYGIYODNULFZ-STQMWFEESA-N 1 1 337.380 0.551 20 5 ECBDMO CC(C)n1nc2c(cc1=O)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000365724268 437959252 /nfs/dbraw/zinc/95/92/52/437959252.db2.gz QGHAOUBIYFXYLP-UHFFFAOYSA-N 1 1 332.364 0.987 20 5 ECBDMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000371845667 438001945 /nfs/dbraw/zinc/00/19/45/438001945.db2.gz HFYMLEHUYNNOGD-UHFFFAOYSA-N 1 1 336.396 0.812 20 5 ECBDMO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000371845667 438001949 /nfs/dbraw/zinc/00/19/49/438001949.db2.gz HFYMLEHUYNNOGD-UHFFFAOYSA-N 1 1 336.396 0.812 20 5 ECBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372346452 438077099 /nfs/dbraw/zinc/07/70/99/438077099.db2.gz NOVVEKBEQRVVDA-XBFCOCLRSA-N 1 1 334.376 0.875 20 5 ECBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358209593 438181641 /nfs/dbraw/zinc/18/16/41/438181641.db2.gz IBVJAPHUMBBBFT-AWEZNQCLSA-N 1 1 343.405 0.557 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CCc3[nH+]c[nH]c3C2)c([N+](=O)[O-])c1 ZINC000367907301 438265129 /nfs/dbraw/zinc/26/51/29/438265129.db2.gz PYYHOKPSRULHRD-MRVPVSSYSA-N 1 1 337.361 0.935 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@@H]2CCc3[nH]c[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000367907301 438265132 /nfs/dbraw/zinc/26/51/32/438265132.db2.gz PYYHOKPSRULHRD-MRVPVSSYSA-N 1 1 337.361 0.935 20 5 ECBDMO COC(=O)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000378006354 438337221 /nfs/dbraw/zinc/33/72/21/438337221.db2.gz VCRGHOQIBUBDCQ-NWDGAFQWSA-N 1 1 326.353 0.283 20 5 ECBDMO Nc1nc(NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)ncc1[N+](=O)[O-] ZINC000377601071 438314401 /nfs/dbraw/zinc/31/44/01/438314401.db2.gz LHEWZWHTCHRLRD-CYBMUJFWSA-N 1 1 343.391 1.108 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352791304 438476351 /nfs/dbraw/zinc/47/63/51/438476351.db2.gz HQZYLFYKNAEAST-KBPBESRZSA-N 1 1 339.348 0.624 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])n1 ZINC000407989530 438479439 /nfs/dbraw/zinc/47/94/39/438479439.db2.gz HSTVJNLFLXCUDQ-JTQLQIEISA-N 1 1 329.382 0.280 20 5 ECBDMO COc1c(C(=O)NCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000353656142 438520114 /nfs/dbraw/zinc/52/01/14/438520114.db2.gz KLFJULQZULGESV-UHFFFAOYSA-N 1 1 336.392 0.971 20 5 ECBDMO CCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000441526568 438587134 /nfs/dbraw/zinc/58/71/34/438587134.db2.gz QWNSHBFWQPSSLR-DGCLKSJQSA-N 1 1 325.369 0.143 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)NCC(F)(F)C[NH3+])ccc1[N+](=O)[O-] ZINC000423556160 438687372 /nfs/dbraw/zinc/68/73/72/438687372.db2.gz YLNWZXSKLISMFM-UHFFFAOYSA-N 1 1 330.291 0.343 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000415089966 438729008 /nfs/dbraw/zinc/72/90/08/438729008.db2.gz ZKXDDZLVUBUBRU-GFCCVEGCSA-N 1 1 342.421 0.605 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000457101546 438794881 /nfs/dbraw/zinc/79/48/81/438794881.db2.gz PWWMHDMZNIMHDL-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO Cc1cc(OCC(=O)N2CC[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000457101546 438794883 /nfs/dbraw/zinc/79/48/83/438794883.db2.gz PWWMHDMZNIMHDL-ZDUSSCGKSA-N 1 1 337.376 0.807 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456983867 438786845 /nfs/dbraw/zinc/78/68/45/438786845.db2.gz HQUXKVDWQUXCSQ-OAHLLOKOSA-N 1 1 342.355 0.930 20 5 ECBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000601445646 438897767 /nfs/dbraw/zinc/89/77/67/438897767.db2.gz FVCFBSURHGRZPP-GFCCVEGCSA-N 1 1 326.378 0.705 20 5 ECBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000578193172 438903239 /nfs/dbraw/zinc/90/32/39/438903239.db2.gz PSQUQCXYJYAQMQ-WCQYABFASA-N 1 1 341.389 0.655 20 5 ECBDMO O=C1CCCN1C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000595833127 438868556 /nfs/dbraw/zinc/86/85/56/438868556.db2.gz RZQGDUWHLVFGTI-GXTWGEPZSA-N 1 1 337.380 0.097 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC2)C1 ZINC000589573427 438879218 /nfs/dbraw/zinc/87/92/18/438879218.db2.gz KPNPGJJBAYAWFN-LBPRGKRZSA-N 1 1 348.407 0.305 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000589928020 438892989 /nfs/dbraw/zinc/89/29/89/438892989.db2.gz CGILVUCAKHETLF-ZYHUDNBSSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000589928946 438893338 /nfs/dbraw/zinc/89/33/38/438893338.db2.gz IAALWVZKOPTMLS-MFKMUULPSA-N 1 1 341.389 0.928 20 5 ECBDMO C[NH2+][C@@H](C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000578320278 438914984 /nfs/dbraw/zinc/91/49/84/438914984.db2.gz LWIVKJFWLHKKBY-CQSZACIVSA-N 1 1 333.348 0.784 20 5 ECBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+]1CC(C)(C)O ZINC000596223467 438943727 /nfs/dbraw/zinc/94/37/27/438943727.db2.gz QZNDLOSXSRBESQ-LLVKDONJSA-N 1 1 336.392 0.975 20 5 ECBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596074327 438921827 /nfs/dbraw/zinc/92/18/27/438921827.db2.gz TZSNFBBMASCHSL-UHFFFAOYSA-N 1 1 349.391 0.342 20 5 ECBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596074327 438921832 /nfs/dbraw/zinc/92/18/32/438921832.db2.gz TZSNFBBMASCHSL-UHFFFAOYSA-N 1 1 349.391 0.342 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000601632685 438945465 /nfs/dbraw/zinc/94/54/65/438945465.db2.gz PLQKJPVLHDIQLQ-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000601632685 438945470 /nfs/dbraw/zinc/94/54/70/438945470.db2.gz PLQKJPVLHDIQLQ-SNVBAGLBSA-N 1 1 339.323 0.911 20 5 ECBDMO CN1CC[NH+](C[C@@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)CC1 ZINC000565541991 438959984 /nfs/dbraw/zinc/95/99/84/438959984.db2.gz ZSUKJGPIPCOLQG-CYBMUJFWSA-N 1 1 325.365 0.074 20 5 ECBDMO COc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709245 438991357 /nfs/dbraw/zinc/99/13/57/438991357.db2.gz PFXVDQRDAINCAF-GXSJLCMTSA-N 1 1 348.302 0.990 20 5 ECBDMO COc1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000459709245 438991361 /nfs/dbraw/zinc/99/13/61/438991361.db2.gz PFXVDQRDAINCAF-GXSJLCMTSA-N 1 1 348.302 0.990 20 5 ECBDMO COc1cc(C[N@@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000597217738 439057198 /nfs/dbraw/zinc/05/71/98/439057198.db2.gz BRBVIOWGLPHDRV-UHFFFAOYSA-N 1 1 326.349 0.789 20 5 ECBDMO COc1cc(C[N@H+]2CCC(CO)(CO)C2)c([N+](=O)[O-])cc1OC ZINC000597217738 439057200 /nfs/dbraw/zinc/05/72/00/439057200.db2.gz BRBVIOWGLPHDRV-UHFFFAOYSA-N 1 1 326.349 0.789 20 5 ECBDMO COCCCN1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566910032 439097633 /nfs/dbraw/zinc/09/76/33/439097633.db2.gz YEZJSDNKXFKHQY-OAHLLOKOSA-N 1 1 341.412 0.243 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000580614867 439110769 /nfs/dbraw/zinc/11/07/69/439110769.db2.gz LICWFAJXUUASMW-GJZGRUSLSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2C[C@H](O)[C@@H](N(C)C)C2)cccc1[N+](=O)[O-] ZINC000580614867 439110774 /nfs/dbraw/zinc/11/07/74/439110774.db2.gz LICWFAJXUUASMW-GJZGRUSLSA-N 1 1 336.392 0.839 20 5 ECBDMO Cc1nnc(N2CC[NH+](CCn3c(C)ncc3[N+](=O)[O-])CC2)n1C ZINC000602944005 439167652 /nfs/dbraw/zinc/16/76/52/439167652.db2.gz SEFUJXIVCUDFCV-UHFFFAOYSA-N 1 1 334.384 0.359 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000602906923 439157139 /nfs/dbraw/zinc/15/71/39/439157139.db2.gz VAMYAFYFNHRJBJ-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000602906923 439157140 /nfs/dbraw/zinc/15/71/40/439157140.db2.gz VAMYAFYFNHRJBJ-CQSZACIVSA-N 1 1 334.376 0.092 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987915 439177071 /nfs/dbraw/zinc/17/70/71/439177071.db2.gz VUEUADYFYUAOKM-GXSJLCMTSA-N 1 1 335.282 0.859 20 5 ECBDMO NS(=O)(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489912733 439245505 /nfs/dbraw/zinc/24/55/05/439245505.db2.gz GPDPCOSBNWWUJE-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO NS(=O)(=O)c1cc(N[C@@H]2CCn3cc[nH+]c3C2)cc([N+](=O)[O-])c1 ZINC000489931107 439248883 /nfs/dbraw/zinc/24/88/83/439248883.db2.gz POSLRSHTCJNRJS-SECBINFHSA-N 1 1 337.361 0.866 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H](C)O)[C@H](C)CO)c1 ZINC000593024398 439330546 /nfs/dbraw/zinc/33/05/46/439330546.db2.gz IHIXZEXDEOSWBN-MNOVXSKESA-N 1 1 326.349 0.945 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1 ZINC000593024398 439330553 /nfs/dbraw/zinc/33/05/53/439330553.db2.gz IHIXZEXDEOSWBN-MNOVXSKESA-N 1 1 326.349 0.945 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000592998710 439330801 /nfs/dbraw/zinc/33/08/01/439330801.db2.gz FEMUIWOLDMDBNJ-HUUCEWRRSA-N 1 1 337.376 0.085 20 5 ECBDMO COC(=O)c1ccnc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598632493 439294086 /nfs/dbraw/zinc/29/40/86/439294086.db2.gz DSTOULUKUQUCPM-PHIMTYICSA-N 1 1 338.364 0.668 20 5 ECBDMO COC(=O)c1ccnc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598632493 439294092 /nfs/dbraw/zinc/29/40/92/439294092.db2.gz DSTOULUKUQUCPM-PHIMTYICSA-N 1 1 338.364 0.668 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100945 439342641 /nfs/dbraw/zinc/34/26/41/439342641.db2.gz QDAPONKSTZLKAR-NILGIDIQSA-N 1 1 326.374 0.540 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593100945 439342647 /nfs/dbraw/zinc/34/26/47/439342647.db2.gz QDAPONKSTZLKAR-NILGIDIQSA-N 1 1 326.374 0.540 20 5 ECBDMO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000599086673 439353655 /nfs/dbraw/zinc/35/36/55/439353655.db2.gz RURWOOXYPQFJGK-SNVBAGLBSA-N 1 1 328.394 0.736 20 5 ECBDMO C[C@@]1(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](Cc2ccccc2)C1 ZINC000593342149 439369898 /nfs/dbraw/zinc/36/98/98/439369898.db2.gz KTEIGWYNJHGYET-MRXNPFEDSA-N 1 1 344.375 0.967 20 5 ECBDMO CCC[NH+]1CCC(CNS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000599229787 439389568 /nfs/dbraw/zinc/38/95/68/439389568.db2.gz QRXKHLMBPGJQLL-UHFFFAOYSA-N 1 1 345.425 0.729 20 5 ECBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599301940 439423590 /nfs/dbraw/zinc/42/35/90/439423590.db2.gz FQQLOJCBXWCKII-JTQLQIEISA-N 1 1 331.398 0.433 20 5 ECBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599301940 439423596 /nfs/dbraw/zinc/42/35/96/439423596.db2.gz FQQLOJCBXWCKII-JTQLQIEISA-N 1 1 331.398 0.433 20 5 ECBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599329895 439433775 /nfs/dbraw/zinc/43/37/75/439433775.db2.gz HJKZAWJHCIDHJS-SNVBAGLBSA-N 1 1 331.398 0.432 20 5 ECBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599570655 439509990 /nfs/dbraw/zinc/50/99/90/439509990.db2.gz UUCMVRLGUUMDAR-OAHLLOKOSA-N 1 1 337.332 0.458 20 5 ECBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599570655 439509997 /nfs/dbraw/zinc/50/99/97/439509997.db2.gz UUCMVRLGUUMDAR-OAHLLOKOSA-N 1 1 337.332 0.458 20 5 ECBDMO Cc1nn(CCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000593853091 439476695 /nfs/dbraw/zinc/47/66/95/439476695.db2.gz BOPJZDASUPBJHP-CYBMUJFWSA-N 1 1 337.380 0.076 20 5 ECBDMO Cc1nn(CCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c(C)c1[N+](=O)[O-] ZINC000593853091 439476699 /nfs/dbraw/zinc/47/66/99/439476699.db2.gz BOPJZDASUPBJHP-CYBMUJFWSA-N 1 1 337.380 0.076 20 5 ECBDMO CCOc1ccc(C(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856436 439477745 /nfs/dbraw/zinc/47/77/45/439477745.db2.gz WSSIGYZCPAEVPT-CYBMUJFWSA-N 1 1 335.360 0.885 20 5 ECBDMO CCOc1ccc(C(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593856436 439477751 /nfs/dbraw/zinc/47/77/51/439477751.db2.gz WSSIGYZCPAEVPT-CYBMUJFWSA-N 1 1 335.360 0.885 20 5 ECBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000593856449 439478453 /nfs/dbraw/zinc/47/84/53/439478453.db2.gz WZABNLPWWLDMNV-CYBMUJFWSA-N 1 1 334.376 0.674 20 5 ECBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000593856449 439478460 /nfs/dbraw/zinc/47/84/60/439478460.db2.gz WZABNLPWWLDMNV-CYBMUJFWSA-N 1 1 334.376 0.674 20 5 ECBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000599648881 439526840 /nfs/dbraw/zinc/52/68/40/439526840.db2.gz XWFWGTOSMLHMDH-JTQLQIEISA-N 1 1 328.394 0.913 20 5 ECBDMO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609279197 439562207 /nfs/dbraw/zinc/56/22/07/439562207.db2.gz RHDNDAVQDHBADJ-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000609279197 439562211 /nfs/dbraw/zinc/56/22/11/439562211.db2.gz RHDNDAVQDHBADJ-LBPRGKRZSA-N 1 1 343.405 0.984 20 5 ECBDMO [NH3+][C@H]1CCC[C@H](NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000594582747 439579247 /nfs/dbraw/zinc/57/92/47/439579247.db2.gz BETRFRJDIUCMLP-RYUDHWBXSA-N 1 1 342.421 0.733 20 5 ECBDMO CC(C)c1[nH]nc(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939522 439580412 /nfs/dbraw/zinc/58/04/12/439580412.db2.gz WGZOUHXANGXFSU-QWRGUYRKSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939522 439580417 /nfs/dbraw/zinc/58/04/17/439580417.db2.gz WGZOUHXANGXFSU-QWRGUYRKSA-N 1 1 337.380 0.722 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)c1[N+](=O)[O-] ZINC000599939522 439580421 /nfs/dbraw/zinc/58/04/21/439580421.db2.gz WGZOUHXANGXFSU-QWRGUYRKSA-N 1 1 337.380 0.722 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000599996783 439590870 /nfs/dbraw/zinc/59/08/70/439590870.db2.gz GXIFYVGQNAYFIK-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007441 439593008 /nfs/dbraw/zinc/59/30/08/439593008.db2.gz RHVYCJUQAGJFTO-UHFFFAOYSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007441 439593010 /nfs/dbraw/zinc/59/30/10/439593010.db2.gz RHVYCJUQAGJFTO-UHFFFAOYSA-N 1 1 337.380 0.953 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000600007441 439593014 /nfs/dbraw/zinc/59/30/14/439593014.db2.gz RHVYCJUQAGJFTO-UHFFFAOYSA-N 1 1 337.380 0.953 20 5 ECBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1F ZINC000600808768 439705425 /nfs/dbraw/zinc/70/54/25/439705425.db2.gz QBWOQZXKSNSNLV-VIFPVBQESA-N 1 1 327.312 0.539 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600534321 439674737 /nfs/dbraw/zinc/67/47/37/439674737.db2.gz OMTMEBKHZYGYAW-CYBMUJFWSA-N 1 1 345.359 0.781 20 5 ECBDMO COC1(CO)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000618551650 440131432 /nfs/dbraw/zinc/13/14/32/440131432.db2.gz FNQILTUWWANRDK-UHFFFAOYSA-N 1 1 349.387 0.957 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[NH+](C[C@@H](C)O)CC2)c1[N+](=O)[O-] ZINC000275808696 320564798 /nfs/dbraw/zinc/56/47/98/320564798.db2.gz LHYKPSKQDPGKFF-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000350782319 321330465 /nfs/dbraw/zinc/33/04/65/321330465.db2.gz WSPFCOXLXQOGOL-ZDUSSCGKSA-N 1 1 344.389 0.897 20 5 ECBDMO Nc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000361699600 321619079 /nfs/dbraw/zinc/61/90/79/321619079.db2.gz HDTBTRVTLXLOOS-DZGCQCFKSA-N 1 1 334.376 0.848 20 5 ECBDMO C[C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000562400511 322272695 /nfs/dbraw/zinc/27/26/95/322272695.db2.gz HQYOFIFOJMTWFG-CYBMUJFWSA-N 1 1 348.403 0.979 20 5 ECBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000159432230 534437243 /nfs/dbraw/zinc/43/72/43/534437243.db2.gz DDGNJNFDUAKGFY-NXEZZACHSA-N 1 1 325.369 0.936 20 5 ECBDMO O=C(CN1CC[NH+](CCO)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000025791244 545662783 /nfs/dbraw/zinc/66/27/83/545662783.db2.gz FDKISGZYVDDWGA-UHFFFAOYSA-N 1 1 342.783 0.797 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000619873708 546376195 /nfs/dbraw/zinc/37/61/95/546376195.db2.gz QUWRVIDGTJYCCG-CYBMUJFWSA-N 1 1 333.392 0.513 20 5 ECBDMO NC(=O)C[N@@H+]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754018410 579410857 /nfs/dbraw/zinc/41/08/57/579410857.db2.gz HMSTVJNEFLRBEK-UHFFFAOYSA-N 1 1 330.348 0.535 20 5 ECBDMO NC(=O)C[N@H+]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754018410 579410859 /nfs/dbraw/zinc/41/08/59/579410859.db2.gz HMSTVJNEFLRBEK-UHFFFAOYSA-N 1 1 330.348 0.535 20 5 ECBDMO COCC[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000737003197 578471869 /nfs/dbraw/zinc/47/18/69/578471869.db2.gz FCNSJTPNPNSUQR-NSHDSACASA-N 1 1 347.379 0.932 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1C ZINC000737003197 578471870 /nfs/dbraw/zinc/47/18/70/578471870.db2.gz FCNSJTPNPNSUQR-NSHDSACASA-N 1 1 347.379 0.932 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582788 579284871 /nfs/dbraw/zinc/28/48/71/579284871.db2.gz BZJNZPRQWPUNEZ-AAEUAGOBSA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776582788 579284872 /nfs/dbraw/zinc/28/48/72/579284872.db2.gz BZJNZPRQWPUNEZ-AAEUAGOBSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592130 579285452 /nfs/dbraw/zinc/28/54/52/579285452.db2.gz TUAPXUFYVIICMQ-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592130 579285453 /nfs/dbraw/zinc/28/54/53/579285453.db2.gz TUAPXUFYVIICMQ-ZIAGYGMSSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000841456189 588988915 /nfs/dbraw/zinc/98/89/15/588988915.db2.gz DQDZTPHUKDZQHD-VHSXEESVSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000841456189 588988917 /nfs/dbraw/zinc/98/89/17/588988917.db2.gz DQDZTPHUKDZQHD-VHSXEESVSA-N 1 1 340.355 0.843 20 5 ECBDMO COc1ccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888998875 586062791 /nfs/dbraw/zinc/06/27/91/586062791.db2.gz NZBMFVVUGNTUAY-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000888998875 586062793 /nfs/dbraw/zinc/06/27/93/586062793.db2.gz NZBMFVVUGNTUAY-UHFFFAOYSA-N 1 1 336.392 0.923 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896581976 586260929 /nfs/dbraw/zinc/26/09/29/586260929.db2.gz OZBNQXNJIVACFS-BXUZGUMPSA-N 1 1 336.392 0.968 20 5 ECBDMO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000839714352 586890027 /nfs/dbraw/zinc/89/00/27/586890027.db2.gz YURNKIBGKWWBLI-QLFBSQMISA-N 1 1 348.403 0.057 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906351951 586943517 /nfs/dbraw/zinc/94/35/17/586943517.db2.gz SJEJAMAGYHYMGS-UHFFFAOYSA-N 1 1 336.392 0.713 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819938842 587498941 /nfs/dbraw/zinc/49/89/41/587498941.db2.gz BNNISUIQJDEMRF-UTCJRWHESA-N 1 1 332.360 0.674 20 5 ECBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000822984528 587694412 /nfs/dbraw/zinc/69/44/12/587694412.db2.gz IJFCICXCKIBKIH-CYBMUJFWSA-N 1 1 342.440 0.881 20 5 ECBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000823619838 587734446 /nfs/dbraw/zinc/73/44/46/587734446.db2.gz BWDZKCIFIAUBTF-SNVBAGLBSA-N 1 1 330.352 0.844 20 5 ECBDMO CC(C)(O)C[NH+]1CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000825745972 587958737 /nfs/dbraw/zinc/95/87/37/587958737.db2.gz ANBUVHKTVBDKLP-AWEZNQCLSA-N 1 1 337.376 0.543 20 5 ECBDMO COC(=O)Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000826567363 588070664 /nfs/dbraw/zinc/07/06/64/588070664.db2.gz GBGZXHGHSCJSDU-CYBMUJFWSA-N 1 1 335.360 0.566 20 5 ECBDMO COC(=O)Cc1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000826567363 588070666 /nfs/dbraw/zinc/07/06/66/588070666.db2.gz GBGZXHGHSCJSDU-CYBMUJFWSA-N 1 1 335.360 0.566 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000827501070 588124322 /nfs/dbraw/zinc/12/43/22/588124322.db2.gz POVMHCTWMAZPQH-UHFFFAOYSA-N 1 1 338.339 0.628 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000848307331 589287791 /nfs/dbraw/zinc/28/77/91/589287791.db2.gz HCYLDZVREMSBFG-WDEREUQCSA-N 1 1 339.323 0.390 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853063894 589530768 /nfs/dbraw/zinc/53/07/68/589530768.db2.gz DANHEEDAISEYCV-MRVPVSSYSA-N 1 1 337.174 0.493 20 5 ECBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000861347683 589841197 /nfs/dbraw/zinc/84/11/97/589841197.db2.gz QQAPPWNCCAXLSE-TZMCWYRMSA-N 1 1 326.353 0.834 20 5 ECBDMO CN(C)c1cc(F)c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863319237 590002464 /nfs/dbraw/zinc/00/24/64/590002464.db2.gz IQKAQTYTOAAZDM-SNVBAGLBSA-N 1 1 340.355 0.596 20 5 ECBDMO O=C(NCC[N@H+]1CC[C@@H](O)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863320077 590002955 /nfs/dbraw/zinc/00/29/55/590002955.db2.gz HCUHHKRHRNEZFX-GFCCVEGCSA-N 1 1 329.303 0.869 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000863320077 590002958 /nfs/dbraw/zinc/00/29/58/590002958.db2.gz HCUHHKRHRNEZFX-GFCCVEGCSA-N 1 1 329.303 0.869 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882092870 590515813 /nfs/dbraw/zinc/51/58/13/590515813.db2.gz JTELBTSHULCTMQ-UHFFFAOYSA-N 1 1 325.344 0.729 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000882102730 590516933 /nfs/dbraw/zinc/51/69/33/590516933.db2.gz QWSKZPJHMHLKMK-GFCCVEGCSA-N 1 1 337.355 0.872 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000931405766 611536949 /nfs/dbraw/zinc/53/69/49/611536949.db2.gz GEHVKFOTPVTAPU-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@H+]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1CO ZINC000931405766 611536951 /nfs/dbraw/zinc/53/69/51/611536951.db2.gz GEHVKFOTPVTAPU-NSHDSACASA-N 1 1 342.783 0.795 20 5 ECBDMO C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000931882408 611581094 /nfs/dbraw/zinc/58/10/94/611581094.db2.gz MJWGFIKZDOERFG-OAHLLOKOSA-N 1 1 346.387 0.906 20 5 ECBDMO C[N@H+]1CC[C@@H]1CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000931882408 611581097 /nfs/dbraw/zinc/58/10/97/611581097.db2.gz MJWGFIKZDOERFG-OAHLLOKOSA-N 1 1 346.387 0.906 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000932471914 608625658 /nfs/dbraw/zinc/62/56/58/608625658.db2.gz ACWPLFMUKPFEKX-UHFFFAOYSA-N 1 1 338.412 0.196 20 5 ECBDMO Cc1sc(C(=O)NC2CC[NH+](CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000913660800 609808212 /nfs/dbraw/zinc/80/82/12/609808212.db2.gz HZJKTSFHVNWYQU-UHFFFAOYSA-N 1 1 326.378 0.644 20 5 ECBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000912899070 610019131 /nfs/dbraw/zinc/01/91/31/610019131.db2.gz UWXMKTOKOBENQO-UHFFFAOYSA-N 1 1 335.360 0.702 20 5 ECBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCC2(C1)OCCO2 ZINC000912899070 610019135 /nfs/dbraw/zinc/01/91/35/610019135.db2.gz UWXMKTOKOBENQO-UHFFFAOYSA-N 1 1 335.360 0.702 20 5 ECBDMO CC[N@@H+](CCC(=O)NC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000933864792 611755180 /nfs/dbraw/zinc/75/51/80/611755180.db2.gz ILFJNQFCFGKAIZ-UHFFFAOYSA-N 1 1 334.376 0.942 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000078768141 611869637 /nfs/dbraw/zinc/86/96/37/611869637.db2.gz CWKLPGBONHIQPI-UHFFFAOYSA-N 1 1 340.767 0.928 20 5 ECBDMO O=C(Cn1cncn1)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001026144770 740418027 /nfs/dbraw/zinc/41/80/27/740418027.db2.gz VMUPURZNPCEMSJ-FOLVSLTJSA-N 1 1 342.359 0.433 20 5 ECBDMO Cn1cc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)cn1 ZINC000982279012 751850699 /nfs/dbraw/zinc/85/06/99/751850699.db2.gz XYNSWZDVIUUTHW-SRABZTEZSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1cc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)cn1 ZINC000982279012 751850706 /nfs/dbraw/zinc/85/07/06/751850706.db2.gz XYNSWZDVIUUTHW-SRABZTEZSA-N 1 1 347.419 0.756 20 5 ECBDMO Cn1cc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)cn1 ZINC000982279012 751850715 /nfs/dbraw/zinc/85/07/15/751850715.db2.gz XYNSWZDVIUUTHW-SRABZTEZSA-N 1 1 347.419 0.756 20 5 ECBDMO NC(=O)c1cccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000983652374 744997507 /nfs/dbraw/zinc/99/75/07/744997507.db2.gz BTHHWCRERPFOPM-NMFUWQPSSA-N 1 1 346.387 0.435 20 5 ECBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nnc3n2CCCC3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655849 745003855 /nfs/dbraw/zinc/00/38/55/745003855.db2.gz WGTHOYCLTQULOJ-FDYHWXHSSA-N 1 1 348.407 0.264 20 5 ECBDMO Cc1ncc(C(=O)N2CCC([NH2+]Cc3c([N+](=O)[O-])ncn3C)CC2)[nH]1 ZINC000990287547 754924774 /nfs/dbraw/zinc/92/47/74/754924774.db2.gz NKTKHZRRCOLZCJ-UHFFFAOYSA-N 1 1 347.379 0.754 20 5 ECBDMO CN(CC1CCCCC1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938673 756792643 /nfs/dbraw/zinc/79/26/43/756792643.db2.gz GDQTXOKIRRVYCY-ZIAGYGMSSA-N 1 1 340.424 0.396 20 5 ECBDMO O=C(C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1ccc2c(c1)CCC2 ZINC001126943080 756908775 /nfs/dbraw/zinc/90/87/75/756908775.db2.gz KFPJBYIDYVFWFC-HUUCEWRRSA-N 1 1 346.387 0.485 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814399 757081509 /nfs/dbraw/zinc/08/15/09/757081509.db2.gz JRIWVHAMFKPTDZ-LXTVHRRPSA-N 1 1 333.392 0.284 20 5 ECBDMO Cc1nn(C)cc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814399 757081514 /nfs/dbraw/zinc/08/15/14/757081514.db2.gz JRIWVHAMFKPTDZ-LXTVHRRPSA-N 1 1 333.392 0.284 20 5 ECBDMO Cc1nn(C)cc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814399 757081520 /nfs/dbraw/zinc/08/15/20/757081520.db2.gz JRIWVHAMFKPTDZ-LXTVHRRPSA-N 1 1 333.392 0.284 20 5 ECBDMO O=C(c1cn[nH]n1)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001048914464 757389437 /nfs/dbraw/zinc/38/94/37/757389437.db2.gz RSHGZXDJYSZMFV-BETUJISGSA-N 1 1 342.359 0.917 20 5 ECBDMO CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428813 757654464 /nfs/dbraw/zinc/65/44/64/757654464.db2.gz HYAMVMLZHBFOQW-CHWSQXEVSA-N 1 1 336.396 0.434 20 5 ECBDMO CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1C ZINC000996429219 757657795 /nfs/dbraw/zinc/65/77/95/757657795.db2.gz MIJCKOBAZUCGKY-VXGBXAGGSA-N 1 1 336.396 0.123 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)NC/C=C\CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107424804 758532203 /nfs/dbraw/zinc/53/22/03/758532203.db2.gz FNHLKWFMEXABRR-IHWYPQMZSA-N 1 1 346.347 0.985 20 5 ECBDMO CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575101 769161143 /nfs/dbraw/zinc/16/11/43/769161143.db2.gz MOGJENNGBPCGLK-CHWSQXEVSA-N 1 1 326.397 0.149 20 5 ECBDMO CC(=O)N1CC(C(=O)NCC2C[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC001031630394 771538935 /nfs/dbraw/zinc/53/89/35/771538935.db2.gz HHROKMRLOGBANS-UHFFFAOYSA-N 1 1 346.387 0.621 20 5 ECBDMO Cn1nnc2cc(C[NH2+][C@H]3C[C@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)ccc21 ZINC001020138892 772205359 /nfs/dbraw/zinc/20/53/59/772205359.db2.gz GQWAKESXYXDDMO-RTWAVKEYSA-N 1 1 344.375 0.370 20 5 ECBDMO CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020138943 772205471 /nfs/dbraw/zinc/20/54/71/772205471.db2.gz JDCSZWBPEMBUOW-KBUPBQIOSA-N 1 1 346.387 0.448 20 5 ECBDMO NC(=O)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cc1 ZINC001020139260 772206197 /nfs/dbraw/zinc/20/61/97/772206197.db2.gz WHOYXEIYCAPENF-AAVRWANBSA-N 1 1 332.360 0.188 20 5 ECBDMO CCN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001079744010 776787954 /nfs/dbraw/zinc/78/79/54/776787954.db2.gz ONPXVSOFGOZEOM-CHWSQXEVSA-N 1 1 338.408 0.053 20 5 ECBDMO CCn1cc(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC001072724690 788650939 /nfs/dbraw/zinc/65/09/39/788650939.db2.gz BEBUZHVZQSVXEH-HUUCEWRRSA-N 1 1 347.419 0.645 20 5 ECBDMO CCn1cc(CC[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072724690 788650947 /nfs/dbraw/zinc/65/09/47/788650947.db2.gz BEBUZHVZQSVXEH-HUUCEWRRSA-N 1 1 347.419 0.645 20 5 ECBDMO CCn1cc(CC[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)cn1 ZINC001072724690 788650957 /nfs/dbraw/zinc/65/09/57/788650957.db2.gz BEBUZHVZQSVXEH-HUUCEWRRSA-N 1 1 347.419 0.645 20 5 ECBDMO NC(=O)C1(C(=O)NCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001266607306 836040546 /nfs/dbraw/zinc/04/05/46/836040546.db2.gz VFCALWFWIFHEMG-UHFFFAOYSA-N 1 1 346.387 0.941 20 5 ECBDMO NC(=O)C1(C(=O)NCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC001266607306 836040558 /nfs/dbraw/zinc/04/05/58/836040558.db2.gz VFCALWFWIFHEMG-UHFFFAOYSA-N 1 1 346.387 0.941 20 5 ECBDMO Cc1cc(NC(=O)C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000174709379 231285703 /nfs/dbraw/zinc/28/57/03/231285703.db2.gz XRKHJIAVCUCJHT-NSHDSACASA-N 1 1 338.324 0.019 20 5 ECBDMO Cc1cc(NC(=O)C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)no1 ZINC000174709379 231285706 /nfs/dbraw/zinc/28/57/06/231285706.db2.gz XRKHJIAVCUCJHT-NSHDSACASA-N 1 1 338.324 0.019 20 5 ECBDMO COC(=O)[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413502757 284115802 /nfs/dbraw/zinc/11/58/02/284115802.db2.gz RARJLEYHKKYTBI-LLVKDONJSA-N 1 1 336.348 0.235 20 5 ECBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)N1CCNC1=O ZINC000266649481 248397738 /nfs/dbraw/zinc/39/77/38/248397738.db2.gz XVSCVMWFQOCRIU-UHFFFAOYSA-N 1 1 348.359 0.990 20 5 ECBDMO COc1ccc(OCCN2CC[N@@H+](CCO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000452120332 211470383 /nfs/dbraw/zinc/47/03/83/211470383.db2.gz RCKZRXMQQCUDLC-ZDUSSCGKSA-N 1 1 339.392 0.981 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000449573179 211285129 /nfs/dbraw/zinc/28/51/29/211285129.db2.gz QZUNVZFMZQVBIA-TZMCWYRMSA-N 1 1 340.332 0.338 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000449573179 211285132 /nfs/dbraw/zinc/28/51/32/211285132.db2.gz QZUNVZFMZQVBIA-TZMCWYRMSA-N 1 1 340.332 0.338 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663023 251233754 /nfs/dbraw/zinc/23/37/54/251233754.db2.gz NFKOMWTYVRTJTJ-CHWSQXEVSA-N 1 1 336.348 0.044 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000267663023 251233757 /nfs/dbraw/zinc/23/37/57/251233757.db2.gz NFKOMWTYVRTJTJ-CHWSQXEVSA-N 1 1 336.348 0.044 20 5 ECBDMO CO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000267731403 251294543 /nfs/dbraw/zinc/29/45/43/251294543.db2.gz BIEWOQFXONYWBD-INIZCTEOSA-N 1 1 348.403 0.964 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC000496513758 255106884 /nfs/dbraw/zinc/10/68/84/255106884.db2.gz PIXOQKZCQGEHOI-NSHDSACASA-N 1 1 348.359 0.968 20 5 ECBDMO COC[C@]1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000261873881 165255370 /nfs/dbraw/zinc/25/53/70/165255370.db2.gz LSIUDLGNHMLMMR-CYBMUJFWSA-N 1 1 347.368 0.781 20 5 ECBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000261965613 165270867 /nfs/dbraw/zinc/27/08/67/165270867.db2.gz MTKRMAFGLMLEIJ-CQSZACIVSA-N 1 1 345.359 0.973 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CC(C)(CO)CO ZINC000159523030 225232668 /nfs/dbraw/zinc/23/26/68/225232668.db2.gz YQKSBFHDNGSLKR-NSHDSACASA-N 1 1 325.365 0.845 20 5 ECBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CC(C)(CO)CO ZINC000159523030 225232673 /nfs/dbraw/zinc/23/26/73/225232673.db2.gz YQKSBFHDNGSLKR-NSHDSACASA-N 1 1 325.365 0.845 20 5 ECBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@@H+](CCO)CC2)cc1 ZINC000171506614 227113782 /nfs/dbraw/zinc/11/37/82/227113782.db2.gz ZYWGVVCKULJDMR-UHFFFAOYSA-N 1 1 343.405 0.425 20 5 ECBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CCC[N@H+](CCO)CC2)cc1 ZINC000171506614 227113784 /nfs/dbraw/zinc/11/37/84/227113784.db2.gz ZYWGVVCKULJDMR-UHFFFAOYSA-N 1 1 343.405 0.425 20 5 ECBDMO Cc1c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000174477258 263149860 /nfs/dbraw/zinc/14/98/60/263149860.db2.gz PKEXMBPAUAHJPX-INIZCTEOSA-N 1 1 337.376 0.716 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353969 264037085 /nfs/dbraw/zinc/03/70/85/264037085.db2.gz CRCJFCMRCJZZTL-ZZVYKPCYSA-N 1 1 338.364 0.975 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCn2cc([N+](=O)[O-])cn2)O1 ZINC000282353969 264037086 /nfs/dbraw/zinc/03/70/86/264037086.db2.gz CRCJFCMRCJZZTL-ZZVYKPCYSA-N 1 1 338.364 0.975 20 5 ECBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000286093480 264369275 /nfs/dbraw/zinc/36/92/75/264369275.db2.gz SXMPAEZYRGTOAN-ZFWWWQNUSA-N 1 1 336.392 0.552 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000174325328 533688766 /nfs/dbraw/zinc/68/87/66/533688766.db2.gz BVFMGAPLCSDWGA-VHSXEESVSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H]1C ZINC000174325328 533688775 /nfs/dbraw/zinc/68/87/75/533688775.db2.gz BVFMGAPLCSDWGA-VHSXEESVSA-N 1 1 340.355 0.843 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000490049976 276300477 /nfs/dbraw/zinc/30/04/77/276300477.db2.gz ZPZSEFSZUBYBJP-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@@H+](CCO)[C@H](C)C2)c1[N+](=O)[O-] ZINC000490049976 276300479 /nfs/dbraw/zinc/30/04/79/276300479.db2.gz ZPZSEFSZUBYBJP-LLVKDONJSA-N 1 1 338.364 0.669 20 5 ECBDMO COC(=O)[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413502758 277134756 /nfs/dbraw/zinc/13/47/56/277134756.db2.gz RARJLEYHKKYTBI-NSHDSACASA-N 1 1 336.348 0.235 20 5 ECBDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000291496753 437599224 /nfs/dbraw/zinc/59/92/24/437599224.db2.gz HAIRMOJTSAFEPL-UHFFFAOYSA-N 1 1 342.421 0.921 20 5 ECBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000360433450 437602537 /nfs/dbraw/zinc/60/25/37/437602537.db2.gz KMCDADRDCCFGBG-GFCCVEGCSA-N 1 1 346.343 0.888 20 5 ECBDMO Cc1c(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000264558896 280214684 /nfs/dbraw/zinc/21/46/84/280214684.db2.gz QHCLGOXPEPLZAI-AWEZNQCLSA-N 1 1 334.376 0.973 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332648360 297062343 /nfs/dbraw/zinc/06/23/43/297062343.db2.gz YPGPUYZQBMYCGS-ZDUSSCGKSA-N 1 1 347.419 0.901 20 5 ECBDMO CNC(=O)CN1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361748835 300121125 /nfs/dbraw/zinc/12/11/25/300121125.db2.gz CMNZBMMTCGUTRQ-HNNXBMFYSA-N 1 1 336.392 0.382 20 5 ECBDMO CNC(=O)CN1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361748835 300121127 /nfs/dbraw/zinc/12/11/27/300121127.db2.gz CMNZBMMTCGUTRQ-HNNXBMFYSA-N 1 1 336.392 0.382 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363865224 300300865 /nfs/dbraw/zinc/30/08/65/300300865.db2.gz GLSZOJYQUJAYKP-QWHCGFSZSA-N 1 1 335.364 0.243 20 5 ECBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000364691075 300378470 /nfs/dbraw/zinc/37/84/70/300378470.db2.gz PZUVEDGMWNDGHD-ZLDLUXBVSA-N 1 1 338.364 0.427 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CC[NH+](CCO)CC3)n2)cc1 ZINC000071948766 436033278 /nfs/dbraw/zinc/03/32/78/436033278.db2.gz OJKVWYLMEYECQT-UHFFFAOYSA-N 1 1 333.348 0.755 20 5 ECBDMO Cc1c(NC(=O)[C@H](C)N2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000073602739 436085845 /nfs/dbraw/zinc/08/58/45/436085845.db2.gz BJUBVPCXYZXGMJ-ZDUSSCGKSA-N 1 1 336.392 0.840 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000076924305 436217642 /nfs/dbraw/zinc/21/76/42/436217642.db2.gz UQIHKCAXEUHCGJ-ZDUSSCGKSA-N 1 1 333.392 0.980 20 5 ECBDMO CNC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000084696697 436382534 /nfs/dbraw/zinc/38/25/34/436382534.db2.gz YBUXMJMCXAOCTP-UHFFFAOYSA-N 1 1 335.364 0.880 20 5 ECBDMO CCCC[N@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000048048104 436439316 /nfs/dbraw/zinc/43/93/16/436439316.db2.gz FHEXBCZXYNEXBV-ZDUSSCGKSA-N 1 1 325.365 0.922 20 5 ECBDMO O=[N+]([O-])c1ccc(-c2ncn(C[C@H](O)C[NH+]3CCOCC3)n2)cc1 ZINC000051323591 436487497 /nfs/dbraw/zinc/48/74/97/436487497.db2.gz MPJCCTMOVCYUBS-CQSZACIVSA-N 1 1 333.348 0.546 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000052161196 436503020 /nfs/dbraw/zinc/50/30/20/436503020.db2.gz JOQCWRLMSDWWJA-UHFFFAOYSA-N 1 1 336.396 0.319 20 5 ECBDMO Cc1[nH+]ccn1CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000052192380 436505186 /nfs/dbraw/zinc/50/51/86/436505186.db2.gz YOZHNQBVQJPXQR-UHFFFAOYSA-N 1 1 331.332 0.646 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000106815302 436602199 /nfs/dbraw/zinc/60/21/99/436602199.db2.gz RFSFHLZHIKASGV-LBPRGKRZSA-N 1 1 338.412 0.242 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC000532145237 302071182 /nfs/dbraw/zinc/07/11/82/302071182.db2.gz GMFSBXDLAKBADA-OAHLLOKOSA-N 1 1 335.408 0.992 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000058858138 436628979 /nfs/dbraw/zinc/62/89/79/436628979.db2.gz ZQNMVAMWVFKBNE-NSHDSACASA-N 1 1 334.376 0.924 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC[N@@H+]4CCOC[C@@H]4C3)c([N+](=O)[O-])cc12 ZINC000541624519 302186341 /nfs/dbraw/zinc/18/63/41/302186341.db2.gz LBFRLROLRRAEMY-JTQLQIEISA-N 1 1 331.332 0.764 20 5 ECBDMO O=c1[nH]cnc2cc(N3CC[N@H+]4CCOC[C@@H]4C3)c([N+](=O)[O-])cc12 ZINC000541624519 302186343 /nfs/dbraw/zinc/18/63/43/302186343.db2.gz LBFRLROLRRAEMY-JTQLQIEISA-N 1 1 331.332 0.764 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000115519803 436646815 /nfs/dbraw/zinc/64/68/15/436646815.db2.gz RCAAFCAXNVEUKG-UHFFFAOYSA-N 1 1 337.380 0.372 20 5 ECBDMO O=C(C1CC1)N1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000121443943 436714818 /nfs/dbraw/zinc/71/48/18/436714818.db2.gz UJNGBZROBLLLHG-UHFFFAOYSA-N 1 1 334.376 0.701 20 5 ECBDMO O=C(C1CC1)N1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000121443943 436714821 /nfs/dbraw/zinc/71/48/21/436714821.db2.gz UJNGBZROBLLLHG-UHFFFAOYSA-N 1 1 334.376 0.701 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067151814 436706051 /nfs/dbraw/zinc/70/60/51/436706051.db2.gz BCSHFLXYUBZMDL-UHFFFAOYSA-N 1 1 348.363 0.484 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000139571653 436666644 /nfs/dbraw/zinc/66/66/44/436666644.db2.gz WDHQTTMLVAKVDJ-CYBMUJFWSA-N 1 1 348.407 0.916 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000194924268 436676424 /nfs/dbraw/zinc/67/64/24/436676424.db2.gz OIROIDXGZPZFOG-TXEJJXNPSA-N 1 1 332.360 0.862 20 5 ECBDMO C[N@@H+]1CC=C(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273443844 436754989 /nfs/dbraw/zinc/75/49/89/436754989.db2.gz DSCPRQRDQOZESG-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000274347015 436817410 /nfs/dbraw/zinc/81/74/10/436817410.db2.gz AGVQUFDZOOTTSC-UHFFFAOYSA-N 1 1 347.393 0.196 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000274386295 436821316 /nfs/dbraw/zinc/82/13/16/436821316.db2.gz GFHHDBFUFBLLSE-XJKSGUPXSA-N 1 1 338.360 0.826 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000274386295 436821320 /nfs/dbraw/zinc/82/13/20/436821320.db2.gz GFHHDBFUFBLLSE-XJKSGUPXSA-N 1 1 338.360 0.826 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155490079 436795915 /nfs/dbraw/zinc/79/59/15/436795915.db2.gz RAZDJHGBZWIWSN-UHFFFAOYSA-N 1 1 331.394 0.592 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155490079 436795916 /nfs/dbraw/zinc/79/59/16/436795916.db2.gz RAZDJHGBZWIWSN-UHFFFAOYSA-N 1 1 331.394 0.592 20 5 ECBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000127166202 436797588 /nfs/dbraw/zinc/79/75/88/436797588.db2.gz ZXRDFXYDULNYAY-ZDUSSCGKSA-N 1 1 336.392 0.993 20 5 ECBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135560091 436919089 /nfs/dbraw/zinc/91/90/89/436919089.db2.gz NTLHIWBYVTUBJW-JSGCOSHPSA-N 1 1 334.380 0.895 20 5 ECBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262371374 436927738 /nfs/dbraw/zinc/92/77/38/436927738.db2.gz LTEVDOCEZNBMGB-GFCCVEGCSA-N 1 1 347.375 0.213 20 5 ECBDMO COCCC[N@@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000275398172 436964024 /nfs/dbraw/zinc/96/40/24/436964024.db2.gz DNVNRYBPAUFLJU-AWEZNQCLSA-N 1 1 328.365 0.665 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](C)N1CC[NH+](C)CC1 ZINC000171265005 436973379 /nfs/dbraw/zinc/97/33/79/436973379.db2.gz KWONVFJAHSKXJP-GFCCVEGCSA-N 1 1 336.392 0.856 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170690811 436949650 /nfs/dbraw/zinc/94/96/50/436949650.db2.gz UBQZIIPGBAGLCQ-NSHDSACASA-N 1 1 328.394 0.600 20 5 ECBDMO NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000170690811 436949655 /nfs/dbraw/zinc/94/96/55/436949655.db2.gz UBQZIIPGBAGLCQ-NSHDSACASA-N 1 1 328.394 0.600 20 5 ECBDMO Cc1cc(OCC(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000281582707 436983074 /nfs/dbraw/zinc/98/30/74/436983074.db2.gz ZQIIQACWEYBPMB-ZDUSSCGKSA-N 1 1 336.392 0.644 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000275590619 436988453 /nfs/dbraw/zinc/98/84/53/436988453.db2.gz DLCDYOOQPFTOIW-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000275590619 436988456 /nfs/dbraw/zinc/98/84/56/436988456.db2.gz DLCDYOOQPFTOIW-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264586400 437049610 /nfs/dbraw/zinc/04/96/10/437049610.db2.gz VJERUJXFUIDKKP-LBPRGKRZSA-N 1 1 335.364 0.247 20 5 ECBDMO COCC[N@H+]1CC[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264627355 437055612 /nfs/dbraw/zinc/05/56/12/437055612.db2.gz SWBZGVKEBQYBAD-SNVBAGLBSA-N 1 1 344.393 0.375 20 5 ECBDMO C[N@H+]1CCCC[C@H]1CN1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174853077 437089775 /nfs/dbraw/zinc/08/97/75/437089775.db2.gz LJBWCOJXBCHMLX-HNNXBMFYSA-N 1 1 336.440 0.893 20 5 ECBDMO Cn1nccc1[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000331414552 437091835 /nfs/dbraw/zinc/09/18/35/437091835.db2.gz BZKDVMPAHYSMIM-OCCSQVGLSA-N 1 1 334.380 0.765 20 5 ECBDMO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1ccco1 ZINC000299624220 437095865 /nfs/dbraw/zinc/09/58/65/437095865.db2.gz MDJFEIWCAOCEME-LBPRGKRZSA-N 1 1 334.332 0.769 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCN(Cc3ccccc3)CC2)c1 ZINC000304351237 437158085 /nfs/dbraw/zinc/15/80/85/437158085.db2.gz RHFHYHGHPHLKDU-QGZVFWFLSA-N 1 1 345.403 0.970 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418320 437159996 /nfs/dbraw/zinc/15/99/96/437159996.db2.gz FDQLSYRCZUQGMC-SNPRPXQTSA-N 1 1 325.413 0.814 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000304418320 437160002 /nfs/dbraw/zinc/16/00/02/437160002.db2.gz FDQLSYRCZUQGMC-SNPRPXQTSA-N 1 1 325.413 0.814 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000301846032 437132749 /nfs/dbraw/zinc/13/27/49/437132749.db2.gz ALNFBGZZLLMSHZ-CMPLNLGQSA-N 1 1 335.364 0.754 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000301846032 437132753 /nfs/dbraw/zinc/13/27/53/437132753.db2.gz ALNFBGZZLLMSHZ-CMPLNLGQSA-N 1 1 335.364 0.754 20 5 ECBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000177352298 437181284 /nfs/dbraw/zinc/18/12/84/437181284.db2.gz LGLQODMDCQABCM-CQSZACIVSA-N 1 1 339.392 0.728 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@H]2C1 ZINC000278779262 437342472 /nfs/dbraw/zinc/34/24/72/437342472.db2.gz PBFDFWBYVXZTOV-AOOOYVTPSA-N 1 1 326.378 0.240 20 5 ECBDMO CC(=O)N1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182193965 437342638 /nfs/dbraw/zinc/34/26/38/437342638.db2.gz WVDQXVKDBCIBBK-CQSZACIVSA-N 1 1 337.376 0.889 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278820041 437346057 /nfs/dbraw/zinc/34/60/57/437346057.db2.gz TTXMYSASIQRZOS-PHIMTYICSA-N 1 1 340.405 0.501 20 5 ECBDMO O=C1C[C@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CN1 ZINC000278858124 437350453 /nfs/dbraw/zinc/35/04/53/437350453.db2.gz KYUYBUJNUOAWDR-CZUORRHYSA-N 1 1 335.360 0.547 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279068531 437369232 /nfs/dbraw/zinc/36/92/32/437369232.db2.gz MKFSSAHGMBBAIC-HNNXBMFYSA-N 1 1 334.332 0.648 20 5 ECBDMO COc1cc(C[NH2+]CCS(=O)(=O)N(C)C)c([N+](=O)[O-])cc1O ZINC000289459355 437412690 /nfs/dbraw/zinc/41/26/90/437412690.db2.gz CIFPGNPDONOBPE-UHFFFAOYSA-N 1 1 333.366 0.290 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184346591 437401162 /nfs/dbraw/zinc/40/11/62/437401162.db2.gz SFQDODCRXWKNFZ-LBPRGKRZSA-N 1 1 338.412 0.242 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2CC)c([N+](=O)[O-])n1 ZINC000339039388 437435199 /nfs/dbraw/zinc/43/51/99/437435199.db2.gz BRWCAFLEGDLBST-NSHDSACASA-N 1 1 345.425 0.964 20 5 ECBDMO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2CC)c([N+](=O)[O-])n1 ZINC000339039388 437435203 /nfs/dbraw/zinc/43/52/03/437435203.db2.gz BRWCAFLEGDLBST-NSHDSACASA-N 1 1 345.425 0.964 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1COC[C@@H]1OC ZINC000290150022 437465232 /nfs/dbraw/zinc/46/52/32/437465232.db2.gz NLOXAOJWESMAPU-WFBYXXMGSA-N 1 1 339.348 0.934 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@H+](CCO)[C@H](C)C1 ZINC000187705658 437512351 /nfs/dbraw/zinc/51/23/51/437512351.db2.gz WUSCALIRSQTIIX-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](CCO)[C@H](C)C1 ZINC000187705658 437512356 /nfs/dbraw/zinc/51/23/56/437512356.db2.gz WUSCALIRSQTIIX-CYBMUJFWSA-N 1 1 336.392 0.840 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330461978 437517743 /nfs/dbraw/zinc/51/77/43/437517743.db2.gz XYDCOENXBQECDV-QWRGUYRKSA-N 1 1 345.425 0.772 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188698732 437565157 /nfs/dbraw/zinc/56/51/57/437565157.db2.gz MGDLJDQMXACAFS-SNVBAGLBSA-N 1 1 339.396 0.554 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188698732 437565163 /nfs/dbraw/zinc/56/51/63/437565163.db2.gz MGDLJDQMXACAFS-SNVBAGLBSA-N 1 1 339.396 0.554 20 5 ECBDMO Cc1cc(C(=O)NCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000360318860 437582361 /nfs/dbraw/zinc/58/23/61/437582361.db2.gz NZUVJIMAVVMQIQ-ZDUSSCGKSA-N 1 1 346.387 0.986 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000360746552 437643335 /nfs/dbraw/zinc/64/33/35/437643335.db2.gz IQZWBLGBEHYWJF-NSHDSACASA-N 1 1 348.359 0.895 20 5 ECBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292284988 437676838 /nfs/dbraw/zinc/67/68/38/437676838.db2.gz TWIWTQSQOPWXDI-KBPBESRZSA-N 1 1 343.405 0.594 20 5 ECBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000292284988 437676844 /nfs/dbraw/zinc/67/68/44/437676844.db2.gz TWIWTQSQOPWXDI-KBPBESRZSA-N 1 1 343.405 0.594 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000364925589 437827905 /nfs/dbraw/zinc/82/79/05/437827905.db2.gz ZYNUFLASFAJZGI-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000344933035 437774753 /nfs/dbraw/zinc/77/47/53/437774753.db2.gz DQXSWFWJHNHDQM-NSHDSACASA-N 1 1 349.391 0.494 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)C1 ZINC000363218773 437776419 /nfs/dbraw/zinc/77/64/19/437776419.db2.gz LVXBLKNTRLVPID-LBPRGKRZSA-N 1 1 349.391 0.547 20 5 ECBDMO COCCCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365118693 437863780 /nfs/dbraw/zinc/86/37/80/437863780.db2.gz AGHJEKBDWHSXDJ-UHFFFAOYSA-N 1 1 325.369 0.581 20 5 ECBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000424061306 437883871 /nfs/dbraw/zinc/88/38/71/437883871.db2.gz SABPZHYNXIQPBM-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341851354 437910616 /nfs/dbraw/zinc/91/06/16/437910616.db2.gz KOEMKNHXXBRPRO-LBPRGKRZSA-N 1 1 349.391 0.615 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371991116 438018211 /nfs/dbraw/zinc/01/82/11/438018211.db2.gz IWSHPEDWANWIBA-PWSUYJOCSA-N 1 1 335.364 0.555 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371991116 438018215 /nfs/dbraw/zinc/01/82/15/438018215.db2.gz IWSHPEDWANWIBA-PWSUYJOCSA-N 1 1 335.364 0.555 20 5 ECBDMO C[N@@H+](Cc1cn2c(n1)CCCC2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000373004977 438123133 /nfs/dbraw/zinc/12/31/33/438123133.db2.gz OUKIPOBTYDUILK-CQSZACIVSA-N 1 1 334.380 0.817 20 5 ECBDMO C[N@H+](Cc1cn2c(n1)CCCC2)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000373004977 438123137 /nfs/dbraw/zinc/12/31/37/438123137.db2.gz OUKIPOBTYDUILK-CQSZACIVSA-N 1 1 334.380 0.817 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690393 438107213 /nfs/dbraw/zinc/10/72/13/438107213.db2.gz DJNBTTLVERIQRD-JTQLQIEISA-N 1 1 325.369 0.409 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690393 438107218 /nfs/dbraw/zinc/10/72/18/438107218.db2.gz DJNBTTLVERIQRD-JTQLQIEISA-N 1 1 325.369 0.409 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000372690393 438107219 /nfs/dbraw/zinc/10/72/19/438107219.db2.gz DJNBTTLVERIQRD-JTQLQIEISA-N 1 1 325.369 0.409 20 5 ECBDMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)C[C@@H](C)O1 ZINC000432241632 438187961 /nfs/dbraw/zinc/18/79/61/438187961.db2.gz QSMJMUCUBKVIKE-BZPMIXESSA-N 1 1 340.376 0.936 20 5 ECBDMO COc1cc(CNC[C@]2(O)CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000358164962 438173019 /nfs/dbraw/zinc/17/30/19/438173019.db2.gz NTRSQMUZVPIWMO-OAHLLOKOSA-N 1 1 325.365 0.768 20 5 ECBDMO Cc1c(CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000358470886 438234085 /nfs/dbraw/zinc/23/40/85/438234085.db2.gz GEYGTSNRHOGFGU-CQSZACIVSA-N 1 1 335.408 0.948 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])cnc2N)CCCO1 ZINC000432561480 438203848 /nfs/dbraw/zinc/20/38/48/438203848.db2.gz XVFAKTBJCVXHSA-NSHDSACASA-N 1 1 337.380 0.803 20 5 ECBDMO CN1C(=O)[C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234876 438364388 /nfs/dbraw/zinc/36/43/88/438364388.db2.gz MUENSAKVCVAEOX-OLZOCXBDSA-N 1 1 334.332 0.206 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234876 438364390 /nfs/dbraw/zinc/36/43/90/438364390.db2.gz MUENSAKVCVAEOX-OLZOCXBDSA-N 1 1 334.332 0.206 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967309 438404953 /nfs/dbraw/zinc/40/49/53/438404953.db2.gz WQRBGFISRUHKMR-VHRBIJSZSA-N 1 1 332.360 0.780 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967309 438404959 /nfs/dbraw/zinc/40/49/59/438404959.db2.gz WQRBGFISRUHKMR-VHRBIJSZSA-N 1 1 332.360 0.780 20 5 ECBDMO COCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007372 438409985 /nfs/dbraw/zinc/40/99/85/438409985.db2.gz HWCPNZMDIOJIDK-STQMWFEESA-N 1 1 339.396 0.969 20 5 ECBDMO COCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369007372 438409991 /nfs/dbraw/zinc/40/99/91/438409991.db2.gz HWCPNZMDIOJIDK-STQMWFEESA-N 1 1 339.396 0.969 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420638411 438417289 /nfs/dbraw/zinc/41/72/89/438417289.db2.gz PVAAKAABUNWWRS-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405635233 438469819 /nfs/dbraw/zinc/46/98/19/438469819.db2.gz AYMBUTUSTWRNMT-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405635233 438469823 /nfs/dbraw/zinc/46/98/23/438469823.db2.gz AYMBUTUSTWRNMT-NWDGAFQWSA-N 1 1 341.389 0.343 20 5 ECBDMO C[C@H]1OCC[C@@]12C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](C)O2 ZINC000369290012 438451079 /nfs/dbraw/zinc/45/10/79/438451079.db2.gz HOMLHLDXTMADSS-RJZRQDKASA-N 1 1 340.380 0.421 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000369782037 438513548 /nfs/dbraw/zinc/51/35/48/438513548.db2.gz KZFPAZDMCSBARE-DZGCQCFKSA-N 1 1 334.380 0.903 20 5 ECBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000369781331 438513627 /nfs/dbraw/zinc/51/36/27/438513627.db2.gz DCEFLSSYGFYLIU-DZGCQCFKSA-N 1 1 349.395 0.525 20 5 ECBDMO CC(C)NC(=O)C[N@@H+]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370046890 438546095 /nfs/dbraw/zinc/54/60/95/438546095.db2.gz UTCNXBNCBMJGBG-UHFFFAOYSA-N 1 1 338.412 0.361 20 5 ECBDMO CC(C)NC(=O)C[N@H+]1CCCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000370046890 438546098 /nfs/dbraw/zinc/54/60/98/438546098.db2.gz UTCNXBNCBMJGBG-UHFFFAOYSA-N 1 1 338.412 0.361 20 5 ECBDMO O=C1CNC(=O)N1CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484377 438552996 /nfs/dbraw/zinc/55/29/96/438552996.db2.gz HOLWGOPTKPGQAV-JTQLQIEISA-N 1 1 334.336 0.028 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452352595 438652844 /nfs/dbraw/zinc/65/28/44/438652844.db2.gz SCBIDDNLYVTRIE-AWEZNQCLSA-N 1 1 337.376 0.937 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1CCCO ZINC000452355898 438655048 /nfs/dbraw/zinc/65/50/48/438655048.db2.gz ZFAYHGIIHIYHIQ-CYBMUJFWSA-N 1 1 337.376 0.937 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCN(CCCO)C2)s1 ZINC000451673190 438706389 /nfs/dbraw/zinc/70/63/89/438706389.db2.gz UVCJYDSYHKVVCN-SNVBAGLBSA-N 1 1 349.434 0.781 20 5 ECBDMO Cc1ccc(NCCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])[nH+]c1 ZINC000548092209 438724584 /nfs/dbraw/zinc/72/45/84/438724584.db2.gz LKTVZOPYTPVOIT-UHFFFAOYSA-N 1 1 330.348 0.929 20 5 ECBDMO CCc1n[nH]c(C(=O)NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000554006646 438758888 /nfs/dbraw/zinc/75/88/88/438758888.db2.gz QBPSBIDZYIEBTQ-UHFFFAOYSA-N 1 1 338.412 0.638 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456207918 438762360 /nfs/dbraw/zinc/76/23/60/438762360.db2.gz HUQPXVFCHGILSU-PHIMTYICSA-N 1 1 325.369 0.013 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456207918 438762365 /nfs/dbraw/zinc/76/23/65/438762365.db2.gz HUQPXVFCHGILSU-PHIMTYICSA-N 1 1 325.369 0.013 20 5 ECBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)[N@@H+]1CCO ZINC000456212420 438763402 /nfs/dbraw/zinc/76/34/02/438763402.db2.gz PDNHNFBWLSFKOW-TXEJJXNPSA-N 1 1 325.369 0.095 20 5 ECBDMO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H]1C[N@H+](C)CCO1 ZINC000588002809 438814425 /nfs/dbraw/zinc/81/44/25/438814425.db2.gz PFUWVCFYGUKCLG-NOZJJQNGSA-N 1 1 333.348 1.375 20 5 ECBDMO C[C@@H](Nc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)[C@H]1C[N@@H+](C)CCO1 ZINC000588002809 438814430 /nfs/dbraw/zinc/81/44/30/438814430.db2.gz PFUWVCFYGUKCLG-NOZJJQNGSA-N 1 1 333.348 1.375 20 5 ECBDMO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386608 438916943 /nfs/dbraw/zinc/91/69/43/438916943.db2.gz CLCVDSVZZCJJGW-JTQLQIEISA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386608 438916949 /nfs/dbraw/zinc/91/69/49/438916949.db2.gz CLCVDSVZZCJJGW-JTQLQIEISA-N 1 1 337.380 0.952 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000590386608 438916954 /nfs/dbraw/zinc/91/69/54/438916954.db2.gz CLCVDSVZZCJJGW-JTQLQIEISA-N 1 1 337.380 0.952 20 5 ECBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000590554551 438932675 /nfs/dbraw/zinc/93/26/75/438932675.db2.gz DLYZPLMSWXCQBM-LBPRGKRZSA-N 1 1 337.380 0.503 20 5 ECBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000590556154 438933144 /nfs/dbraw/zinc/93/31/44/438933144.db2.gz YHDWVGJWXQEHHK-GFCCVEGCSA-N 1 1 337.380 0.503 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)C2)C1 ZINC000596241874 438946744 /nfs/dbraw/zinc/94/67/44/438946744.db2.gz JCBBCONHHGNFKA-AWEZNQCLSA-N 1 1 340.405 0.774 20 5 ECBDMO CCN(C)C(=O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566131106 439009150 /nfs/dbraw/zinc/00/91/50/439009150.db2.gz HDFUHPWETICCGS-UHFFFAOYSA-N 1 1 329.378 0.436 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000602822453 439140744 /nfs/dbraw/zinc/14/07/44/439140744.db2.gz FUTFMOFMJOMCCI-LBPRGKRZSA-N 1 1 330.410 0.999 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000602822453 439140745 /nfs/dbraw/zinc/14/07/45/439140745.db2.gz FUTFMOFMJOMCCI-LBPRGKRZSA-N 1 1 330.410 0.999 20 5 ECBDMO CNc1nccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)c1[N+](=O)[O-] ZINC000597694549 439161530 /nfs/dbraw/zinc/16/15/30/439161530.db2.gz LDZFQYNIKIOZBX-QWHCGFSZSA-N 1 1 349.391 0.967 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000597694551 439161566 /nfs/dbraw/zinc/16/15/66/439161566.db2.gz LEDGXUVBJKCVAZ-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490574625 439276132 /nfs/dbraw/zinc/27/61/32/439276132.db2.gz BSALDZILMLKPNR-WAYWQWQTSA-N 1 1 346.387 0.935 20 5 ECBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCO[C@@H]1C ZINC000489446077 439228135 /nfs/dbraw/zinc/22/81/35/439228135.db2.gz GBMCYFQONVHCAS-OCCSQVGLSA-N 1 1 325.365 0.882 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000598903081 439325300 /nfs/dbraw/zinc/32/53/00/439325300.db2.gz KDALKUDAOZKSSG-RISCZKNCSA-N 1 1 347.375 0.879 20 5 ECBDMO O=C(CCN1CC([N@H+]2CC[C@@H](O)C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592998660 439330228 /nfs/dbraw/zinc/33/02/28/439330228.db2.gz DJJFDQKXPPADEZ-CYBMUJFWSA-N 1 1 334.376 0.674 20 5 ECBDMO COC[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000593064857 439335077 /nfs/dbraw/zinc/33/50/77/439335077.db2.gz STSSMLYGZWSPLB-YNEHKIRRSA-N 1 1 326.349 0.416 20 5 ECBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3c[nH+]cn3C2)ncnc1N1CCOCC1 ZINC000598624703 439291325 /nfs/dbraw/zinc/29/13/25/439291325.db2.gz FJZYOMLFPNZTRY-LLVKDONJSA-N 1 1 345.363 0.845 20 5 ECBDMO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000592870911 439294224 /nfs/dbraw/zinc/29/42/24/439294224.db2.gz HDJRZZBUBNNWHC-SNVBAGLBSA-N 1 1 336.348 0.492 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(C[NH3+])cc2)n1 ZINC000599097330 439355245 /nfs/dbraw/zinc/35/52/45/439355245.db2.gz BSFQQOZSMUTYAE-UHFFFAOYSA-N 1 1 325.350 0.266 20 5 ECBDMO [NH3+]C1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000599103222 439356990 /nfs/dbraw/zinc/35/69/90/439356990.db2.gz QSTXHAFYDVYGAW-UHFFFAOYSA-N 1 1 333.341 0.520 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC(N3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000599472229 439483272 /nfs/dbraw/zinc/48/32/72/439483272.db2.gz FCIPCMFMXPNTMR-UHFFFAOYSA-N 1 1 348.403 0.990 20 5 ECBDMO COCC[N@H+](C)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980909 439502665 /nfs/dbraw/zinc/50/26/65/439502665.db2.gz CZUILVPHODTUFT-AWEZNQCLSA-N 1 1 341.412 0.367 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980909 439502671 /nfs/dbraw/zinc/50/26/71/439502671.db2.gz CZUILVPHODTUFT-AWEZNQCLSA-N 1 1 341.412 0.367 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594198954 439526285 /nfs/dbraw/zinc/52/62/85/439526285.db2.gz WMEULGDLIZIONK-KGLIPLIRSA-N 1 1 334.376 0.890 20 5 ECBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393448 439554147 /nfs/dbraw/zinc/55/41/47/439554147.db2.gz NCKATRWFJNELQI-WDEREUQCSA-N 1 1 330.344 0.967 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571499 439577973 /nfs/dbraw/zinc/57/79/73/439577973.db2.gz BHJLQKFYJZHKMG-GFCCVEGCSA-N 1 1 335.408 0.832 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609571499 439577977 /nfs/dbraw/zinc/57/79/77/439577977.db2.gz BHJLQKFYJZHKMG-GFCCVEGCSA-N 1 1 335.408 0.832 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1 ZINC000594732822 439596699 /nfs/dbraw/zinc/59/66/99/439596699.db2.gz OJYKIVKSMHSUNC-GFCCVEGCSA-N 1 1 335.364 0.792 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572767350 439608549 /nfs/dbraw/zinc/60/85/49/439608549.db2.gz CIIAPVIALRFNCP-CYBMUJFWSA-N 1 1 348.403 0.979 20 5 ECBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)C1 ZINC000594776270 439608978 /nfs/dbraw/zinc/60/89/78/439608978.db2.gz XPPMIDHWLALJNT-CYBMUJFWSA-N 1 1 326.378 0.706 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000610369602 439613184 /nfs/dbraw/zinc/61/31/84/439613184.db2.gz UWCWZIOGIZYGND-MRXNPFEDSA-N 1 1 334.376 0.689 20 5 ECBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCCS1(=O)=O ZINC000610604171 439630005 /nfs/dbraw/zinc/63/00/05/439630005.db2.gz FIXPLQHVRYGULX-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1CCCS1(=O)=O ZINC000610604171 439630008 /nfs/dbraw/zinc/63/00/08/439630008.db2.gz FIXPLQHVRYGULX-UHFFFAOYSA-N 1 1 343.405 0.941 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610614586 439631794 /nfs/dbraw/zinc/63/17/94/439631794.db2.gz ANMDFOUFWFHXAL-TXEJJXNPSA-N 1 1 337.332 0.320 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CCC[N@@H+](CCO)CC3)cc2n(C)c1=O ZINC000585706767 439644861 /nfs/dbraw/zinc/64/48/61/439644861.db2.gz ZEDOFCXBZCGABA-UHFFFAOYSA-N 1 1 349.391 0.290 20 5 ECBDMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1[N+](=O)[O-] ZINC000594965429 439644913 /nfs/dbraw/zinc/64/49/13/439644913.db2.gz IBMGHLAUNZJNBX-MFKMUULPSA-N 1 1 330.362 0.505 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000611106887 439672578 /nfs/dbraw/zinc/67/25/78/439672578.db2.gz XDDVBNWNQLJYGT-GXSJLCMTSA-N 1 1 343.409 0.572 20 5 ECBDMO CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@@H+]1CCO ZINC000614895659 439789790 /nfs/dbraw/zinc/78/97/90/439789790.db2.gz XNSPSFPVXCAIHR-UHFFFAOYSA-N 1 1 347.375 1.000 20 5 ECBDMO CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1CCO ZINC000614895659 439789791 /nfs/dbraw/zinc/78/97/91/439789791.db2.gz XNSPSFPVXCAIHR-UHFFFAOYSA-N 1 1 347.375 1.000 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000617405653 439877061 /nfs/dbraw/zinc/87/70/61/439877061.db2.gz JDUPFBNQNXESND-AAEUAGOBSA-N 1 1 337.380 0.482 20 5 ECBDMO CCOC(=O)[C@](C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000548113732 322148789 /nfs/dbraw/zinc/14/87/89/322148789.db2.gz CGAZDALBWJDHFE-OAHLLOKOSA-N 1 1 338.364 0.426 20 5 ECBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159432010 534437367 /nfs/dbraw/zinc/43/73/67/534437367.db2.gz DDGNJNFDUAKGFY-AOOOYVTPSA-N 1 1 325.369 0.936 20 5 ECBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159432010 534437372 /nfs/dbraw/zinc/43/73/72/534437372.db2.gz DDGNJNFDUAKGFY-AOOOYVTPSA-N 1 1 325.369 0.936 20 5 ECBDMO Cn1cc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cn1 ZINC000132366921 534740984 /nfs/dbraw/zinc/74/09/84/534740984.db2.gz CAZOATIXPIDUKH-UHFFFAOYSA-N 1 1 332.364 0.312 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251899 546310863 /nfs/dbraw/zinc/31/08/63/546310863.db2.gz ABOSTDVCNGEFLU-OLZOCXBDSA-N 1 1 325.344 0.826 20 5 ECBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000757810102 579464619 /nfs/dbraw/zinc/46/46/19/579464619.db2.gz GUIMTYSPABOZFN-CYBMUJFWSA-N 1 1 349.391 0.899 20 5 ECBDMO COc1ccc(NC(=O)CC[N@@H+]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000726791692 578147782 /nfs/dbraw/zinc/14/77/82/578147782.db2.gz GULIKEDYXTZEFL-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2CCCNC(=O)C2)c([N+](=O)[O-])c1 ZINC000726791692 578147783 /nfs/dbraw/zinc/14/77/83/578147783.db2.gz GULIKEDYXTZEFL-UHFFFAOYSA-N 1 1 336.348 0.754 20 5 ECBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786975222 578798440 /nfs/dbraw/zinc/79/84/40/578798440.db2.gz TYLDUBUUGKDOSX-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786975222 578798441 /nfs/dbraw/zinc/79/84/41/578798441.db2.gz TYLDUBUUGKDOSX-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000786975222 578798442 /nfs/dbraw/zinc/79/84/42/578798442.db2.gz TYLDUBUUGKDOSX-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO CC(C)N1CC[NH+](CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000791682900 578891763 /nfs/dbraw/zinc/89/17/63/578891763.db2.gz YZGLNQRJPUIXJP-UHFFFAOYSA-N 1 1 339.396 0.751 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593212 579285379 /nfs/dbraw/zinc/28/53/79/579285379.db2.gz ROJKAAJIRCDZJY-CHWSQXEVSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593212 579285381 /nfs/dbraw/zinc/28/53/81/579285381.db2.gz ROJKAAJIRCDZJY-CHWSQXEVSA-N 1 1 329.378 0.381 20 5 ECBDMO C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761104189 579521798 /nfs/dbraw/zinc/52/17/98/579521798.db2.gz CHAUSEQHXGYKKO-CZUORRHYSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@H](C(=O)NC1CC[NH+](CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000761443352 579528689 /nfs/dbraw/zinc/52/86/89/579528689.db2.gz JTPCUVJKMNCTPU-LLVKDONJSA-N 1 1 334.376 0.764 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000762721830 579547067 /nfs/dbraw/zinc/54/70/67/579547067.db2.gz OMCIZOUHVHNASG-ZDUSSCGKSA-N 1 1 337.361 0.396 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCc3[nH+]ccn3C2)c(-c2nn[nH]n2)c1 ZINC000738367977 579624441 /nfs/dbraw/zinc/62/44/41/579624441.db2.gz AKEDGUIPIHVVCK-MRVPVSSYSA-N 1 1 327.308 0.793 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2C2OCCO2)c1 ZINC000743846632 579802788 /nfs/dbraw/zinc/80/27/88/579802788.db2.gz SDVNMKHILGXGQU-STQMWFEESA-N 1 1 326.353 0.380 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000808159307 587146522 /nfs/dbraw/zinc/14/65/22/587146522.db2.gz BUFZGNVTJIOLDO-KGLIPLIRSA-N 1 1 348.403 0.942 20 5 ECBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808160635 587146554 /nfs/dbraw/zinc/14/65/54/587146554.db2.gz QYUYFIDMEHWRJH-VHSXEESVSA-N 1 1 338.339 0.597 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812335578 587235712 /nfs/dbraw/zinc/23/57/12/587235712.db2.gz SCFSMVQTERDRSL-KGLIPLIRSA-N 1 1 346.387 0.735 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nc1 ZINC000845840920 589172669 /nfs/dbraw/zinc/17/26/69/589172669.db2.gz NVGOGLIFEOGPST-VXGBXAGGSA-N 1 1 342.377 0.131 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)nc1 ZINC000845840920 589172670 /nfs/dbraw/zinc/17/26/70/589172670.db2.gz NVGOGLIFEOGPST-VXGBXAGGSA-N 1 1 342.377 0.131 20 5 ECBDMO O=C(C[N@@H+](CCO)CCCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109798206 589396325 /nfs/dbraw/zinc/39/63/25/589396325.db2.gz VCGNWCNAIUHPGJ-UHFFFAOYSA-N 1 1 331.756 0.863 20 5 ECBDMO O=C(C[N@H+](CCO)CCCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109798206 589396327 /nfs/dbraw/zinc/39/63/27/589396327.db2.gz VCGNWCNAIUHPGJ-UHFFFAOYSA-N 1 1 331.756 0.863 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000867550196 589803214 /nfs/dbraw/zinc/80/32/14/589803214.db2.gz XNKUTPVJEQSKEK-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@H]1CN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000867550196 589803216 /nfs/dbraw/zinc/80/32/16/589803216.db2.gz XNKUTPVJEQSKEK-NSHDSACASA-N 1 1 325.340 0.801 20 5 ECBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000867811245 589847142 /nfs/dbraw/zinc/84/71/42/589847142.db2.gz OFPOVTLKDPLLJJ-JQWIXIFHSA-N 1 1 326.378 0.705 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000122495986 589956978 /nfs/dbraw/zinc/95/69/78/589956978.db2.gz GZNSYJNGZYDTQB-BETUJISGSA-N 1 1 339.396 0.749 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000863832831 590041992 /nfs/dbraw/zinc/04/19/92/590041992.db2.gz GKKJMFDXBSNJJD-XHDPSFHLSA-N 1 1 348.359 0.271 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000865189368 590131731 /nfs/dbraw/zinc/13/17/31/590131731.db2.gz GSHHZWYJCVUJCN-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO CNC(=O)c1ccc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000872757943 590146761 /nfs/dbraw/zinc/14/67/61/590146761.db2.gz LBQPFFMUPYVIDO-QWHCGFSZSA-N 1 1 334.376 0.600 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000880047709 590363651 /nfs/dbraw/zinc/36/36/51/590363651.db2.gz XFCWOJVHUWXEQH-WDEREUQCSA-N 1 1 338.286 0.805 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)CCc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000935399011 611367873 /nfs/dbraw/zinc/36/78/73/611367873.db2.gz DSIUUFZVNJTCEI-HNNXBMFYSA-N 1 1 325.340 0.849 20 5 ECBDMO C[C@H]1CN(C(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000072665025 611118677 /nfs/dbraw/zinc/11/86/77/611118677.db2.gz FUYNAEIDBREUHH-STQMWFEESA-N 1 1 349.391 0.723 20 5 ECBDMO C[C@H]1CN(C(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCO1 ZINC000072665025 611118679 /nfs/dbraw/zinc/11/86/79/611118679.db2.gz FUYNAEIDBREUHH-STQMWFEESA-N 1 1 349.391 0.723 20 5 ECBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC000973257236 738991935 /nfs/dbraw/zinc/99/19/35/738991935.db2.gz JYZGRGDZDOSKCF-FDYHWXHSSA-N 1 1 338.408 0.147 20 5 ECBDMO CC1(C)CC[N@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000973257236 738991936 /nfs/dbraw/zinc/99/19/36/738991936.db2.gz JYZGRGDZDOSKCF-FDYHWXHSSA-N 1 1 338.408 0.147 20 5 ECBDMO CC1(C)CC[N@@H+](CC(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC000973257236 738991937 /nfs/dbraw/zinc/99/19/37/738991937.db2.gz JYZGRGDZDOSKCF-FDYHWXHSSA-N 1 1 338.408 0.147 20 5 ECBDMO Cn1nncc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001025763142 739928453 /nfs/dbraw/zinc/92/84/53/739928453.db2.gz FTTZZKILGQJDNB-JYAVWHMHSA-N 1 1 342.359 0.584 20 5 ECBDMO CN(C)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025775217 739943472 /nfs/dbraw/zinc/94/34/72/739943472.db2.gz FQGUBUXWUJXKLA-UUAJXVIYSA-N 1 1 344.415 0.964 20 5 ECBDMO CN(C)c1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775217 739943477 /nfs/dbraw/zinc/94/34/77/739943477.db2.gz FQGUBUXWUJXKLA-UUAJXVIYSA-N 1 1 344.415 0.964 20 5 ECBDMO CN(C)c1cccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001025775217 739943481 /nfs/dbraw/zinc/94/34/81/739943481.db2.gz FQGUBUXWUJXKLA-UUAJXVIYSA-N 1 1 344.415 0.964 20 5 ECBDMO CCn1nncc1C[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431693 747999595 /nfs/dbraw/zinc/99/95/95/747999595.db2.gz RWNCGWSXLCVQBU-ZIAGYGMSSA-N 1 1 336.396 0.386 20 5 ECBDMO O=C(NCC[NH2+]Cc1cnc(C(F)(F)F)nc1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936203 756743358 /nfs/dbraw/zinc/74/33/58/756743358.db2.gz AIFDBVALTLUVHN-RKDXNWHRSA-N 1 1 333.270 0.366 20 5 ECBDMO O=C(NCC[NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CC1[N+](=O)[O-] ZINC001126936842 756763916 /nfs/dbraw/zinc/76/39/16/756763916.db2.gz UGYGOVCQQLNHKG-HTQZYQBOSA-N 1 1 349.256 0.572 20 5 ECBDMO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1C ZINC001126936967 756768267 /nfs/dbraw/zinc/76/82/67/756768267.db2.gz ZBYWNBQBSQABDL-ZIAGYGMSSA-N 1 1 334.376 0.613 20 5 ECBDMO CN(Cc1ccsc1)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001126938740 756794193 /nfs/dbraw/zinc/79/41/93/756794193.db2.gz ITENVDDNWCXNIN-VXGBXAGGSA-N 1 1 340.405 0.078 20 5 ECBDMO Cc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814401 757080766 /nfs/dbraw/zinc/08/07/66/757080766.db2.gz JSSYRWBISFGKHM-LXTVHRRPSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814401 757080773 /nfs/dbraw/zinc/08/07/73/757080773.db2.gz JSSYRWBISFGKHM-LXTVHRRPSA-N 1 1 331.376 0.340 20 5 ECBDMO Cc1ncc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814401 757080777 /nfs/dbraw/zinc/08/07/77/757080777.db2.gz JSSYRWBISFGKHM-LXTVHRRPSA-N 1 1 331.376 0.340 20 5 ECBDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814294 757081086 /nfs/dbraw/zinc/08/10/86/757081086.db2.gz CYFMABRBLNSKJM-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814294 757081091 /nfs/dbraw/zinc/08/10/91/757081091.db2.gz CYFMABRBLNSKJM-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048814294 757081096 /nfs/dbraw/zinc/08/10/96/757081096.db2.gz CYFMABRBLNSKJM-LXTVHRRPSA-N 1 1 346.387 0.646 20 5 ECBDMO COc1nccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)n1 ZINC001048814380 757081494 /nfs/dbraw/zinc/08/14/94/757081494.db2.gz INAJMTYJSGYPNQ-ZMJPVWNMSA-N 1 1 347.375 0.041 20 5 ECBDMO Cc1ccncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814559 757082718 /nfs/dbraw/zinc/08/27/18/757082718.db2.gz RXCLOTPVXSQKPA-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1ccncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814559 757082730 /nfs/dbraw/zinc/08/27/30/757082730.db2.gz RXCLOTPVXSQKPA-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO Cc1ccncc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814559 757082739 /nfs/dbraw/zinc/08/27/39/757082739.db2.gz RXCLOTPVXSQKPA-QKPAOTATSA-N 1 1 330.388 0.945 20 5 ECBDMO CC(C)COCCC(=O)NCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001123981027 766372252 /nfs/dbraw/zinc/37/22/52/766372252.db2.gz GIVYCNROPPQXJU-UHFFFAOYSA-N 1 1 327.385 0.597 20 5 ECBDMO O=C(NCC1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1)c1cnc[nH]c1=O ZINC001031756960 767157107 /nfs/dbraw/zinc/15/71/07/767157107.db2.gz BJWMSEXAEOFVNW-UHFFFAOYSA-N 1 1 343.343 0.952 20 5 ECBDMO CC(C)Cc1ncc(C(=O)NCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001127271697 767330156 /nfs/dbraw/zinc/33/01/56/767330156.db2.gz BHFYTWWGUZECDJ-UHFFFAOYSA-N 1 1 349.395 0.770 20 5 ECBDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001067389671 793077241 /nfs/dbraw/zinc/07/72/41/793077241.db2.gz JRKRFJFFXSHDOE-CHWSQXEVSA-N 1 1 342.440 0.689 20 5 ECBDMO CC[N@H+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389671 793077249 /nfs/dbraw/zinc/07/72/49/793077249.db2.gz JRKRFJFFXSHDOE-CHWSQXEVSA-N 1 1 342.440 0.689 20 5 ECBDMO CC[N@@H+](C)C(C)(C)C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389671 793077261 /nfs/dbraw/zinc/07/72/61/793077261.db2.gz JRKRFJFFXSHDOE-CHWSQXEVSA-N 1 1 342.440 0.689 20 5 ECBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001067389648 793077376 /nfs/dbraw/zinc/07/73/76/793077376.db2.gz JATGSTOESDIKKX-CHWSQXEVSA-N 1 1 326.397 0.054 20 5 ECBDMO C[N@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267730088 838416545 /nfs/dbraw/zinc/41/65/45/838416545.db2.gz NEOARSUNQKMPER-ZIAGYGMSSA-N 1 1 338.408 0.054 20 5 ECBDMO C[N@@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267730088 838416546 /nfs/dbraw/zinc/41/65/46/838416546.db2.gz NEOARSUNQKMPER-ZIAGYGMSSA-N 1 1 338.408 0.054 20 5 ECBDMO C[N@H+](CC(=O)N1CCC1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001267730088 838416548 /nfs/dbraw/zinc/41/65/48/838416548.db2.gz NEOARSUNQKMPER-ZIAGYGMSSA-N 1 1 338.408 0.054 20 5 ECBDMO Cn1cc(CC[NH+]2CCC(CCNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cn1 ZINC001267943725 838834685 /nfs/dbraw/zinc/83/46/85/838834685.db2.gz ZOLRMPCGQJOHHD-HZPDHXFCSA-N 1 1 349.435 0.846 20 5 ECBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000175092920 231382753 /nfs/dbraw/zinc/38/27/53/231382753.db2.gz QTYHLYDBMVBANT-UHFFFAOYSA-N 1 1 346.347 0.930 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@@H+](CC)C[C@H]32)n1 ZINC000355376393 299245717 /nfs/dbraw/zinc/24/57/17/299245717.db2.gz XQFBIJIUTIZSNP-YPMHNXCESA-N 1 1 337.380 0.746 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](OCCO)C2)c1 ZINC000265198745 247289418 /nfs/dbraw/zinc/28/94/18/247289418.db2.gz JAIXLQPZFBWUMI-HOCLYGCPSA-N 1 1 340.376 0.808 20 5 ECBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000447395529 211188602 /nfs/dbraw/zinc/18/86/02/211188602.db2.gz SUKHZWJNTIWCKR-TZMCWYRMSA-N 1 1 328.369 0.137 20 5 ECBDMO C[C@H](O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CO ZINC000411606261 208121219 /nfs/dbraw/zinc/12/12/19/208121219.db2.gz BIYMXEDQSWLRQW-RYUDHWBXSA-N 1 1 325.365 0.987 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857260 208156203 /nfs/dbraw/zinc/15/62/03/208156203.db2.gz BXAWSHWRNRUJCW-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1CN(CCO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857260 208156206 /nfs/dbraw/zinc/15/62/06/208156206.db2.gz BXAWSHWRNRUJCW-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@@H]1CN(CCO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857260 208156208 /nfs/dbraw/zinc/15/62/08/208156208.db2.gz BXAWSHWRNRUJCW-CYBMUJFWSA-N 1 1 336.392 0.922 20 5 ECBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000411958690 208179149 /nfs/dbraw/zinc/17/91/49/208179149.db2.gz CJCMPSZZBCLQIC-MRXNPFEDSA-N 1 1 329.360 0.920 20 5 ECBDMO NC(=O)c1ccc(C[NH+]2CCC3(COC(=O)N3)CC2)c([N+](=O)[O-])c1 ZINC000495291359 255002393 /nfs/dbraw/zinc/00/23/93/255002393.db2.gz HOWSVMOVPGGRST-UHFFFAOYSA-N 1 1 334.332 0.768 20 5 ECBDMO C[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419341673 209065155 /nfs/dbraw/zinc/06/51/55/209065155.db2.gz OPGYTJUKOGLRTH-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000298134370 296831920 /nfs/dbraw/zinc/83/19/20/296831920.db2.gz QITYHUIBCNTQLF-CYBMUJFWSA-N 1 1 332.364 0.369 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])cc(N2CC[NH+](C3CC3)CC2)c1 ZINC000299309178 296857109 /nfs/dbraw/zinc/85/71/09/296857109.db2.gz DCAGZGAWNWAZCR-UHFFFAOYSA-N 1 1 326.378 0.527 20 5 ECBDMO CCc1nnc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)[nH]1 ZINC000190705746 165024565 /nfs/dbraw/zinc/02/45/65/165024565.db2.gz MSIIPZJRRSTHRN-CYBMUJFWSA-N 1 1 349.395 0.712 20 5 ECBDMO CCc1nc(C2CC[NH+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)n[nH]1 ZINC000190705746 165024567 /nfs/dbraw/zinc/02/45/67/165024567.db2.gz MSIIPZJRRSTHRN-CYBMUJFWSA-N 1 1 349.395 0.712 20 5 ECBDMO COCC[NH+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000194609038 165069748 /nfs/dbraw/zinc/06/97/48/165069748.db2.gz SCFQQSIXFCRSEK-UHFFFAOYSA-N 1 1 348.403 0.748 20 5 ECBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187708962 263160609 /nfs/dbraw/zinc/16/06/09/263160609.db2.gz ZNOXBLPDEDWRLO-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CCO ZINC000187708962 263160611 /nfs/dbraw/zinc/16/06/11/263160611.db2.gz ZNOXBLPDEDWRLO-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO COCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000264439267 263177876 /nfs/dbraw/zinc/17/78/76/263177876.db2.gz ZBOPBZYKBUPPPI-YPMHNXCESA-N 1 1 341.364 0.157 20 5 ECBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)C(N)=O ZINC000264439267 263177877 /nfs/dbraw/zinc/17/78/77/263177877.db2.gz ZBOPBZYKBUPPPI-YPMHNXCESA-N 1 1 341.364 0.157 20 5 ECBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000271002911 263292003 /nfs/dbraw/zinc/29/20/03/263292003.db2.gz GAKKWUKDZWBZRX-LLVKDONJSA-N 1 1 338.364 0.662 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272385243 263345314 /nfs/dbraw/zinc/34/53/14/263345314.db2.gz GCVGGVHKXNQEND-UHFFFAOYSA-N 1 1 335.364 0.071 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000275724089 263639799 /nfs/dbraw/zinc/63/97/99/263639799.db2.gz WMGOPTFHGSWIOL-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000275724089 263639801 /nfs/dbraw/zinc/63/98/01/263639801.db2.gz WMGOPTFHGSWIOL-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO CC[N@@H+](CCOCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281959209 264000774 /nfs/dbraw/zinc/00/07/74/264000774.db2.gz GAFUDUOWGIDIJX-ZDUSSCGKSA-N 1 1 328.365 0.665 20 5 ECBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000284852257 264245752 /nfs/dbraw/zinc/24/57/52/264245752.db2.gz CYELUMFDRSPKBW-OLZOCXBDSA-N 1 1 338.339 0.861 20 5 ECBDMO CNC(=O)c1ccc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000284981759 264265206 /nfs/dbraw/zinc/26/52/06/264265206.db2.gz LAQHGDCZLVBJBC-HUUCEWRRSA-N 1 1 334.376 0.864 20 5 ECBDMO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286262748 264383697 /nfs/dbraw/zinc/38/36/97/264383697.db2.gz QAAPVWSOHHRIAW-ONXXMXGDSA-N 1 1 334.376 0.840 20 5 ECBDMO C[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@H+](C2CC2)C1 ZINC000297423337 265147822 /nfs/dbraw/zinc/14/78/22/265147822.db2.gz SYZCAINMZFYUCV-GFCCVEGCSA-N 1 1 336.396 0.917 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000450774358 277149871 /nfs/dbraw/zinc/14/98/71/277149871.db2.gz CZJTYEAUZBOOOO-KOLCDFICSA-N 1 1 326.378 0.383 20 5 ECBDMO CNC(=O)c1ccc(N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000105790666 277258798 /nfs/dbraw/zinc/25/87/98/277258798.db2.gz BQJJBCWUANVHTH-VXGBXAGGSA-N 1 1 336.392 0.846 20 5 ECBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000337661225 297200720 /nfs/dbraw/zinc/20/07/20/297200720.db2.gz BIXXOWUHDMVFTE-CQSZACIVSA-N 1 1 344.375 0.911 20 5 ECBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000337661225 297200721 /nfs/dbraw/zinc/20/07/21/297200721.db2.gz BIXXOWUHDMVFTE-CQSZACIVSA-N 1 1 344.375 0.911 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000339389276 297344994 /nfs/dbraw/zinc/34/49/94/297344994.db2.gz FGDBJHSVUSLNGR-HZPDHXFCSA-N 1 1 348.403 0.989 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000361773983 300124140 /nfs/dbraw/zinc/12/41/40/300124140.db2.gz JWHQLKFEEGGNMQ-BZUAXINKSA-N 1 1 332.404 0.757 20 5 ECBDMO CNC(=O)CN1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000364025779 300319673 /nfs/dbraw/zinc/31/96/73/300319673.db2.gz NRARFOUHWFQMKM-UHFFFAOYSA-N 1 1 336.392 0.727 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000364519862 300363658 /nfs/dbraw/zinc/36/36/58/300363658.db2.gz IAHLMXTZPZPZRI-UHFFFAOYSA-N 1 1 336.348 0.706 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000364656574 300376352 /nfs/dbraw/zinc/37/63/52/300376352.db2.gz ALBNEFXJNIYUQZ-SPWCGHHHSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364656574 300376353 /nfs/dbraw/zinc/37/63/53/300376353.db2.gz ALBNEFXJNIYUQZ-SPWCGHHHSA-N 1 1 335.408 0.927 20 5 ECBDMO CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@H]1CC1[N+](=O)[O-] ZINC000364656574 300376354 /nfs/dbraw/zinc/37/63/54/300376354.db2.gz ALBNEFXJNIYUQZ-SPWCGHHHSA-N 1 1 335.408 0.927 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000071953340 436034955 /nfs/dbraw/zinc/03/49/55/436034955.db2.gz UULIEDYPXWJGME-UHFFFAOYSA-N 1 1 337.384 0.370 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000074096273 436104515 /nfs/dbraw/zinc/10/45/15/436104515.db2.gz SVXUYFHAABQOAI-UHFFFAOYSA-N 1 1 335.368 0.606 20 5 ECBDMO CC(C)NC(=O)CN1CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372672199 301018678 /nfs/dbraw/zinc/01/86/78/301018678.db2.gz CEJDRLYFKQCNQF-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO CC(C)NC(=O)CN1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000372672199 301018681 /nfs/dbraw/zinc/01/86/81/301018681.db2.gz CEJDRLYFKQCNQF-UHFFFAOYSA-N 1 1 338.412 0.324 20 5 ECBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000373348671 301060113 /nfs/dbraw/zinc/06/01/13/301060113.db2.gz FTADUZCOZCGOID-NSHDSACASA-N 1 1 349.391 0.897 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374413994 301107866 /nfs/dbraw/zinc/10/78/66/301107866.db2.gz FJEIBQKTQNEORD-SNVBAGLBSA-N 1 1 325.394 0.970 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000374413994 301107868 /nfs/dbraw/zinc/10/78/68/301107868.db2.gz FJEIBQKTQNEORD-SNVBAGLBSA-N 1 1 325.394 0.970 20 5 ECBDMO CC(C)(C)[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(N)=O ZINC000081606437 436352910 /nfs/dbraw/zinc/35/29/10/436352910.db2.gz XYWWLMOAUJRZMV-CQSZACIVSA-N 1 1 334.376 0.974 20 5 ECBDMO C[C@](O)(CNC(=O)Cc1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000080894217 436329953 /nfs/dbraw/zinc/32/99/53/436329953.db2.gz XJXGZMDDYYRQFZ-INIZCTEOSA-N 1 1 337.376 0.337 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090460994 436430948 /nfs/dbraw/zinc/43/09/48/436430948.db2.gz XNYZQMMZSZDPRC-OLZOCXBDSA-N 1 1 337.380 0.469 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090460994 436430953 /nfs/dbraw/zinc/43/09/53/436430953.db2.gz XNYZQMMZSZDPRC-OLZOCXBDSA-N 1 1 337.380 0.469 20 5 ECBDMO C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000049725832 436471104 /nfs/dbraw/zinc/47/11/04/436471104.db2.gz YCIOOKPHGQOLPB-LLVKDONJSA-N 1 1 336.348 0.566 20 5 ECBDMO CC[N@@H+]1CCc2nc(NC(=O)Cn3ccc([N+](=O)[O-])n3)sc2C1 ZINC000051475118 436489781 /nfs/dbraw/zinc/48/97/81/436489781.db2.gz ZMXHVAMKIXGULE-UHFFFAOYSA-N 1 1 336.377 1.265 20 5 ECBDMO CC[N@H+]1CCc2nc(NC(=O)Cn3ccc([N+](=O)[O-])n3)sc2C1 ZINC000051475118 436489783 /nfs/dbraw/zinc/48/97/83/436489783.db2.gz ZMXHVAMKIXGULE-UHFFFAOYSA-N 1 1 336.377 1.265 20 5 ECBDMO CC(C)(C)[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(N)=O ZINC000109332124 436624834 /nfs/dbraw/zinc/62/48/34/436624834.db2.gz XYWWLMOAUJRZMV-AWEZNQCLSA-N 1 1 334.376 0.974 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000114369698 436640724 /nfs/dbraw/zinc/64/07/24/436640724.db2.gz RGBXOHZHPWMCOM-SNVBAGLBSA-N 1 1 325.369 0.477 20 5 ECBDMO C[N@@H+](CCN1CCCC1=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000541348255 302183305 /nfs/dbraw/zinc/18/33/05/302183305.db2.gz BMHJPSWQRHQOSU-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064333917 436648653 /nfs/dbraw/zinc/64/86/53/436648653.db2.gz OHXYCZGZVIIHIL-DZGCQCFKSA-N 1 1 335.360 0.953 20 5 ECBDMO O=C(C1CC1)N1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000121248756 436711728 /nfs/dbraw/zinc/71/17/28/436711728.db2.gz YCWCSJYMQDWEGK-CQSZACIVSA-N 1 1 337.380 0.097 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000195194111 436682520 /nfs/dbraw/zinc/68/25/20/436682520.db2.gz SSTBTNMHXYPOCL-HNNXBMFYSA-N 1 1 346.387 0.973 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000122005335 436730020 /nfs/dbraw/zinc/73/00/20/436730020.db2.gz XMJNDQFFSGYHEW-UHFFFAOYSA-N 1 1 334.376 0.843 20 5 ECBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000245430099 436762861 /nfs/dbraw/zinc/76/28/61/436762861.db2.gz AALKURWAIQRETG-WCQYABFASA-N 1 1 346.409 0.051 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000272491542 436717138 /nfs/dbraw/zinc/71/71/38/436717138.db2.gz TYSMSOFEDYEQGB-DOMZBBRYSA-N 1 1 346.387 0.877 20 5 ECBDMO C[C@H](CO)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O ZINC000248987435 436813942 /nfs/dbraw/zinc/81/39/42/436813942.db2.gz WQSMFTCUKXLSRW-NEPJUHHUSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@H](CO)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](C)O ZINC000248987435 436813944 /nfs/dbraw/zinc/81/39/44/436813944.db2.gz WQSMFTCUKXLSRW-NEPJUHHUSA-N 1 1 337.376 0.548 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000069577129 436781100 /nfs/dbraw/zinc/78/11/00/436781100.db2.gz DRBZUEREZWYAQX-LBPRGKRZSA-N 1 1 339.396 0.753 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000155491193 436796361 /nfs/dbraw/zinc/79/63/61/436796361.db2.gz WRIFZFTWUAGFQO-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000155491193 436796362 /nfs/dbraw/zinc/79/63/62/436796362.db2.gz WRIFZFTWUAGFQO-UHFFFAOYSA-N 1 1 331.394 0.760 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155533844 436797658 /nfs/dbraw/zinc/79/76/58/436797658.db2.gz HXSVDOGVPWZTGJ-UHFFFAOYSA-N 1 1 331.394 0.592 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000155533844 436797661 /nfs/dbraw/zinc/79/76/61/436797661.db2.gz HXSVDOGVPWZTGJ-UHFFFAOYSA-N 1 1 331.394 0.592 20 5 ECBDMO COC[C@@H](O)C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274817397 436877710 /nfs/dbraw/zinc/87/77/10/436877710.db2.gz JCQZCIVSIDATNT-ZDUSSCGKSA-N 1 1 349.391 0.991 20 5 ECBDMO O=c1cc2c(n[nH]1)CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000274866320 436883682 /nfs/dbraw/zinc/88/36/82/436883682.db2.gz JIRGYJSXHRJGOC-ZDUSSCGKSA-N 1 1 346.343 0.476 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000133913360 436887254 /nfs/dbraw/zinc/88/72/54/436887254.db2.gz VABKFZNOXPTRJH-LLVKDONJSA-N 1 1 339.396 0.969 20 5 ECBDMO CCCc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000133913572 436887476 /nfs/dbraw/zinc/88/74/76/436887476.db2.gz VABKFZNOXPTRJH-NSHDSACASA-N 1 1 339.396 0.969 20 5 ECBDMO Cc1nn(C)c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000134196989 436892580 /nfs/dbraw/zinc/89/25/80/436892580.db2.gz MGKKNHUOVQLWPX-JTQLQIEISA-N 1 1 325.369 0.335 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)C1CCOCC1 ZINC000275533522 436980948 /nfs/dbraw/zinc/98/09/48/436980948.db2.gz KQLNNWAWBPOQKE-AWEZNQCLSA-N 1 1 340.376 0.808 20 5 ECBDMO Cc1c(C[N@H+]2CCC[C@H](CNS(N)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000170691077 436950169 /nfs/dbraw/zinc/95/01/69/436950169.db2.gz STHAOTRFZQFJKJ-GFCCVEGCSA-N 1 1 342.421 0.908 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275555417 436984355 /nfs/dbraw/zinc/98/43/55/436984355.db2.gz IEVWSYLAPUGBNX-SECBINFHSA-N 1 1 325.369 0.544 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000275555417 436984358 /nfs/dbraw/zinc/98/43/58/436984358.db2.gz IEVWSYLAPUGBNX-SECBINFHSA-N 1 1 325.369 0.544 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CCN(CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000171825330 436989659 /nfs/dbraw/zinc/98/96/59/436989659.db2.gz ZPAOGZIECPVSHK-UHFFFAOYSA-N 1 1 325.369 0.409 20 5 ECBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000297141704 437006125 /nfs/dbraw/zinc/00/61/25/437006125.db2.gz CMWIRXORURDBHX-OAHLLOKOSA-N 1 1 336.396 0.919 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000264637838 437057340 /nfs/dbraw/zinc/05/73/40/437057340.db2.gz VHCFYKXCPNJXHB-CQSZACIVSA-N 1 1 349.391 0.734 20 5 ECBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000284656684 437057466 /nfs/dbraw/zinc/05/74/66/437057466.db2.gz GFAYIODHOQROCP-OCCSQVGLSA-N 1 1 339.396 0.533 20 5 ECBDMO COC(=O)[C@@H](C)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000173622773 437057805 /nfs/dbraw/zinc/05/78/05/437057805.db2.gz QXYCOHIGUSBUHN-GWCFXTLKSA-N 1 1 326.353 0.426 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000276186887 437069281 /nfs/dbraw/zinc/06/92/81/437069281.db2.gz LFBDKZOJZKSZQR-QWRGUYRKSA-N 1 1 341.364 0.606 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000276186887 437069285 /nfs/dbraw/zinc/06/92/85/437069285.db2.gz LFBDKZOJZKSZQR-QWRGUYRKSA-N 1 1 341.364 0.606 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264868061 437098622 /nfs/dbraw/zinc/09/86/22/437098622.db2.gz RXLYLPQEAPSWEV-CYBMUJFWSA-N 1 1 349.391 0.204 20 5 ECBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000302518619 437147197 /nfs/dbraw/zinc/14/71/97/437147197.db2.gz HYEKPNQPIYGSOR-UHFFFAOYSA-N 1 1 336.392 0.847 20 5 ECBDMO C[N@@H+](CCCO)C1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000301893547 437132366 /nfs/dbraw/zinc/13/23/66/437132366.db2.gz AQJDPABUYJXNAS-UHFFFAOYSA-N 1 1 334.380 0.921 20 5 ECBDMO O=C([C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287617363 437211218 /nfs/dbraw/zinc/21/12/18/437211218.db2.gz ZPEDHKFJGJECBL-GXTWGEPZSA-N 1 1 337.380 0.097 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C)C1 ZINC000322576272 437217933 /nfs/dbraw/zinc/21/79/33/437217933.db2.gz TZZUBZJUCXZVNM-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000322576272 437217937 /nfs/dbraw/zinc/21/79/37/437217937.db2.gz TZZUBZJUCXZVNM-SECBINFHSA-N 1 1 343.361 0.364 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)[N@@H+](C)C1 ZINC000332404445 437221548 /nfs/dbraw/zinc/22/15/48/437221548.db2.gz WNHJTESSQABXKP-BBRMVZONSA-N 1 1 348.403 0.963 20 5 ECBDMO COCC[N@@H+](C)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000326754913 437234439 /nfs/dbraw/zinc/23/44/39/437234439.db2.gz MGASNPNLSYGEBC-NSHDSACASA-N 1 1 337.332 0.130 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000278790863 437343051 /nfs/dbraw/zinc/34/30/51/437343051.db2.gz DXQLEIHDPKRCLV-QGZVFWFLSA-N 1 1 344.371 0.696 20 5 ECBDMO O=C(C[N@H+]1CC[C@@]2(CNC(=O)C2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000278790863 437343053 /nfs/dbraw/zinc/34/30/53/437343053.db2.gz DXQLEIHDPKRCLV-QGZVFWFLSA-N 1 1 344.371 0.696 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182244524 437343588 /nfs/dbraw/zinc/34/35/88/437343588.db2.gz JRBCPWASNAWQBU-GFCCVEGCSA-N 1 1 325.365 0.793 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183845802 437393831 /nfs/dbraw/zinc/39/38/31/437393831.db2.gz RIALZZBCICBCKI-HNNXBMFYSA-N 1 1 346.391 0.760 20 5 ECBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186646914 437479364 /nfs/dbraw/zinc/47/93/64/437479364.db2.gz KURCRTGESRQNDZ-OAHLLOKOSA-N 1 1 346.387 0.560 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186721007 437482379 /nfs/dbraw/zinc/48/23/79/437482379.db2.gz DMWXJLJQFCGKQX-LBPRGKRZSA-N 1 1 332.360 0.631 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190833218 437639390 /nfs/dbraw/zinc/63/93/90/437639390.db2.gz RHIWPVHMRSPVHV-RYUDHWBXSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190833218 437639395 /nfs/dbraw/zinc/63/93/95/437639395.db2.gz RHIWPVHMRSPVHV-RYUDHWBXSA-N 1 1 325.365 0.905 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000360753819 437646399 /nfs/dbraw/zinc/64/63/99/437646399.db2.gz LRIAVQUXHUFUOD-UHFFFAOYSA-N 1 1 338.364 0.998 20 5 ECBDMO COc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000360753844 437646570 /nfs/dbraw/zinc/64/65/70/437646570.db2.gz LVXGLODVVJCGGC-JTQLQIEISA-N 1 1 336.348 0.610 20 5 ECBDMO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751181 437647566 /nfs/dbraw/zinc/64/75/66/437647566.db2.gz OWVMAMSAJGDACM-CHWSQXEVSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CCN12 ZINC000343751181 437647570 /nfs/dbraw/zinc/64/75/70/437647570.db2.gz OWVMAMSAJGDACM-CHWSQXEVSA-N 1 1 335.360 0.641 20 5 ECBDMO Nc1nc(NC2CC[NH+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000361812153 437689343 /nfs/dbraw/zinc/68/93/43/437689343.db2.gz FGGYQYNOPVFQCY-UHFFFAOYSA-N 1 1 349.395 0.466 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192911403 437694218 /nfs/dbraw/zinc/69/42/18/437694218.db2.gz OEBFEMWBHZAIIG-JTQLQIEISA-N 1 1 339.396 0.798 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192911403 437694220 /nfs/dbraw/zinc/69/42/20/437694220.db2.gz OEBFEMWBHZAIIG-JTQLQIEISA-N 1 1 339.396 0.798 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192911403 437694224 /nfs/dbraw/zinc/69/42/24/437694224.db2.gz OEBFEMWBHZAIIG-JTQLQIEISA-N 1 1 339.396 0.798 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192911403 437694228 /nfs/dbraw/zinc/69/42/28/437694228.db2.gz OEBFEMWBHZAIIG-JTQLQIEISA-N 1 1 339.396 0.798 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002705 437867272 /nfs/dbraw/zinc/86/72/72/437867272.db2.gz BZGIGQXCPPPOCS-KGLIPLIRSA-N 1 1 348.359 0.597 20 5 ECBDMO CCN1C(=O)[C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000371002705 437867276 /nfs/dbraw/zinc/86/72/76/437867276.db2.gz BZGIGQXCPPPOCS-KGLIPLIRSA-N 1 1 348.359 0.597 20 5 ECBDMO C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000416291694 437904763 /nfs/dbraw/zinc/90/47/63/437904763.db2.gz HXGGWVZAXOSGMX-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO Cc1sc(S(=O)(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000342502315 438021780 /nfs/dbraw/zinc/02/17/80/438021780.db2.gz GAZJMJBBHNHZPG-LLVKDONJSA-N 1 1 335.407 0.310 20 5 ECBDMO CC[N@@H+]1CCc2nc(NC(=O)Cn3cnc([N+](=O)[O-])n3)sc2C1 ZINC000342892589 438080282 /nfs/dbraw/zinc/08/02/82/438080282.db2.gz MAQNJVFLAVWJLH-UHFFFAOYSA-N 1 1 337.365 0.660 20 5 ECBDMO CC[N@H+]1CCc2nc(NC(=O)Cn3cnc([N+](=O)[O-])n3)sc2C1 ZINC000342892589 438080284 /nfs/dbraw/zinc/08/02/84/438080284.db2.gz MAQNJVFLAVWJLH-UHFFFAOYSA-N 1 1 337.365 0.660 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635459 438105786 /nfs/dbraw/zinc/10/57/86/438105786.db2.gz HESXHFZMFSXURV-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000366635459 438105793 /nfs/dbraw/zinc/10/57/93/438105793.db2.gz HESXHFZMFSXURV-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO COC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182301 438133599 /nfs/dbraw/zinc/13/35/99/438133599.db2.gz HPWDBGVIDBMHQL-CHWSQXEVSA-N 1 1 338.364 0.427 20 5 ECBDMO CN(C(=O)C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073345 438283685 /nfs/dbraw/zinc/28/36/85/438283685.db2.gz REOBKQHKSVSESI-BXUZGUMPSA-N 1 1 332.360 0.626 20 5 ECBDMO CN(C(=O)C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000368073345 438283687 /nfs/dbraw/zinc/28/36/87/438283687.db2.gz REOBKQHKSVSESI-BXUZGUMPSA-N 1 1 332.360 0.626 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405555317 438470181 /nfs/dbraw/zinc/47/01/81/438470181.db2.gz AQNDRLLODBVUQS-QWHCGFSZSA-N 1 1 341.389 0.343 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000405555317 438470185 /nfs/dbraw/zinc/47/01/85/438470185.db2.gz AQNDRLLODBVUQS-QWHCGFSZSA-N 1 1 341.389 0.343 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000439002366 438494828 /nfs/dbraw/zinc/49/48/28/438494828.db2.gz PLYYYYAIVNNZJT-YPMHNXCESA-N 1 1 330.410 0.342 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000420981090 438456672 /nfs/dbraw/zinc/45/66/72/438456672.db2.gz VOKZNHOMSROTSD-LLVKDONJSA-N 1 1 348.359 0.961 20 5 ECBDMO CC(C)[C@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420978960 438456824 /nfs/dbraw/zinc/45/68/24/438456824.db2.gz XXYPWSUSRXQNKX-CQSZACIVSA-N 1 1 345.421 0.822 20 5 ECBDMO C[C@](O)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000359831139 438505725 /nfs/dbraw/zinc/50/57/25/438505725.db2.gz AYWOSBFQUMGKSU-HNNXBMFYSA-N 1 1 341.339 0.547 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccncn3)C2)c1 ZINC000369783919 438514186 /nfs/dbraw/zinc/51/41/86/438514186.db2.gz XICGMQUCTBXBRP-OCCSQVGLSA-N 1 1 332.364 0.822 20 5 ECBDMO C[C@@H]([NH3+])C[C@H](C)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000422943859 438618931 /nfs/dbraw/zinc/61/89/31/438618931.db2.gz YUIXSBFIFFJUCW-MNOVXSKESA-N 1 1 330.410 0.589 20 5 ECBDMO C[C@H](C[C@H](C)[NH3+])NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000422977584 438623610 /nfs/dbraw/zinc/62/36/10/438623610.db2.gz FWLPFNOYUAXRCC-WDEREUQCSA-N 1 1 330.410 0.589 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2n(C)c1=O ZINC000588035475 438813218 /nfs/dbraw/zinc/81/32/18/438813218.db2.gz BTUARKRVUKETOI-PHIMTYICSA-N 1 1 331.376 0.783 20 5 ECBDMO C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@@H+]1CCO ZINC000601149019 438822917 /nfs/dbraw/zinc/82/29/17/438822917.db2.gz DTEALSHYWAWPOP-QMMMGPOBSA-N 1 1 337.302 0.850 20 5 ECBDMO C[C@H]1CN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CC[N@H+]1CCO ZINC000601149019 438822921 /nfs/dbraw/zinc/82/29/21/438822921.db2.gz DTEALSHYWAWPOP-QMMMGPOBSA-N 1 1 337.302 0.850 20 5 ECBDMO C[NH+](C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C[C@@H]1O ZINC000577229542 438826390 /nfs/dbraw/zinc/82/63/90/438826390.db2.gz MBTADBQXKMIQFL-GJZGRUSLSA-N 1 1 345.359 0.732 20 5 ECBDMO C[N@@H+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1(C)C ZINC000601186171 438827250 /nfs/dbraw/zinc/82/72/50/438827250.db2.gz JTBZILGIPYWLHH-UHFFFAOYSA-N 1 1 336.396 0.752 20 5 ECBDMO C[N@H+]1CCN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1(C)C ZINC000601186171 438827253 /nfs/dbraw/zinc/82/72/53/438827253.db2.gz JTBZILGIPYWLHH-UHFFFAOYSA-N 1 1 336.396 0.752 20 5 ECBDMO CO[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595658460 438840984 /nfs/dbraw/zinc/84/09/84/438840984.db2.gz JLJYJUDYDXGRAT-XJKSGUPXSA-N 1 1 340.376 0.808 20 5 ECBDMO COC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000595663036 438842247 /nfs/dbraw/zinc/84/22/47/438842247.db2.gz GIYHINPEWGIRNX-CQSZACIVSA-N 1 1 340.380 0.960 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595662505 438843818 /nfs/dbraw/zinc/84/38/18/438843818.db2.gz OFPMUFGMTAAGPQ-JIMOISOXSA-N 1 1 337.332 0.842 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588860720 438844315 /nfs/dbraw/zinc/84/43/15/438844315.db2.gz KYNFPTJCFKOKQD-STQMWFEESA-N 1 1 334.376 0.674 20 5 ECBDMO NC(=O)c1ccnc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000589559073 438877407 /nfs/dbraw/zinc/87/74/07/438877407.db2.gz MUGGOZMOBRBAEA-LBPRGKRZSA-N 1 1 349.391 0.780 20 5 ECBDMO COc1ccc(S(=O)(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000589930337 438893716 /nfs/dbraw/zinc/89/37/16/438893716.db2.gz WNJSYQLDCBXNMB-GWCFXTLKSA-N 1 1 341.389 0.928 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392145 438917659 /nfs/dbraw/zinc/91/76/59/438917659.db2.gz BKKOHHBELAUZJQ-UHFFFAOYSA-N 1 1 335.360 0.764 20 5 ECBDMO CN(CC(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1)c1ccccc1[N+](=O)[O-] ZINC000590551475 438931741 /nfs/dbraw/zinc/93/17/41/438931741.db2.gz YIHTVXOYNDWSAZ-UONOGXRCSA-N 1 1 348.403 0.699 20 5 ECBDMO CN(CC(=O)N1CC(C[NH+]2CCOCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000590558043 438932724 /nfs/dbraw/zinc/93/27/24/438932724.db2.gz LWNRLAWEHFMBID-UHFFFAOYSA-N 1 1 348.403 0.822 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596175335 438935893 /nfs/dbraw/zinc/93/58/93/438935893.db2.gz RSMACEBCLLSMQZ-GFCCVEGCSA-N 1 1 334.380 0.491 20 5 ECBDMO C[C@H]1COCCN1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542826 438967150 /nfs/dbraw/zinc/96/71/50/438967150.db2.gz QGTLYJWVWXTQMX-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1COCC[N@@H+]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542826 438967156 /nfs/dbraw/zinc/96/71/56/438967156.db2.gz QGTLYJWVWXTQMX-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1COCC[N@H+]1CCN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517542826 438967161 /nfs/dbraw/zinc/96/71/61/438967161.db2.gz QGTLYJWVWXTQMX-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCCO1 ZINC000579971064 439053348 /nfs/dbraw/zinc/05/33/48/439053348.db2.gz SLHASODEGJNKIV-NSHDSACASA-N 1 1 337.380 0.803 20 5 ECBDMO CC(C)(C(=O)N1CCN(c2[nH]cc[nH+]2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000566982834 439103496 /nfs/dbraw/zinc/10/34/96/439103496.db2.gz OATQNLHJXFJEES-UHFFFAOYSA-N 1 1 333.352 0.598 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CCN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000602790497 439135213 /nfs/dbraw/zinc/13/52/13/439135213.db2.gz JVNGXLTTXQGSPE-OAHLLOKOSA-N 1 1 336.440 0.812 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000487168037 439137699 /nfs/dbraw/zinc/13/76/99/439137699.db2.gz ZAKDDHLRAJBJRW-AWEZNQCLSA-N 1 1 329.303 0.598 20 5 ECBDMO CCN1CCN(c2nc(N3CC[NH+](CC)CC3)ncc2[N+](=O)[O-])CC1 ZINC000603263486 439221886 /nfs/dbraw/zinc/22/18/86/439221886.db2.gz ACRFRNUEFFCBET-UHFFFAOYSA-N 1 1 349.439 0.669 20 5 ECBDMO O=C1CCCN1[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000525784093 439215594 /nfs/dbraw/zinc/21/55/94/439215594.db2.gz ZEEXBQRKNGLGSG-TZMCWYRMSA-N 1 1 337.380 0.239 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000604278108 439305836 /nfs/dbraw/zinc/30/58/36/439305836.db2.gz GJMQIKMMLVYSGY-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO COc1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000604278108 439305841 /nfs/dbraw/zinc/30/58/41/439305841.db2.gz GJMQIKMMLVYSGY-JTQLQIEISA-N 1 1 329.378 0.976 20 5 ECBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COCC[NH2+]1 ZINC000599106984 439360142 /nfs/dbraw/zinc/36/01/42/439360142.db2.gz JNCFBQWDWBLJAX-NSHDSACASA-N 1 1 329.378 0.424 20 5 ECBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599104426 439358593 /nfs/dbraw/zinc/35/85/93/439358593.db2.gz AQTUNHMKQMJUTG-GFCCVEGCSA-N 1 1 329.378 0.045 20 5 ECBDMO O=C(NC1CC1)c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507836 439390075 /nfs/dbraw/zinc/39/00/75/439390075.db2.gz NBCDOMSLQGYGLA-CQSZACIVSA-N 1 1 346.387 0.742 20 5 ECBDMO O=C(NC1CC1)c1ccc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593507836 439390082 /nfs/dbraw/zinc/39/00/82/439390082.db2.gz NBCDOMSLQGYGLA-CQSZACIVSA-N 1 1 346.387 0.742 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000599228921 439391130 /nfs/dbraw/zinc/39/11/30/439391130.db2.gz NOAFMSUBMJBJHM-SNVBAGLBSA-N 1 1 329.382 0.091 20 5 ECBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000599245853 439397127 /nfs/dbraw/zinc/39/71/27/439397127.db2.gz YHIXJNKRAGBPRI-QWRGUYRKSA-N 1 1 345.425 0.822 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245638 439397603 /nfs/dbraw/zinc/39/76/03/439397603.db2.gz VOOVPKPQBRFCNG-UWVGGRQHSA-N 1 1 331.398 0.289 20 5 ECBDMO COCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541509 439398906 /nfs/dbraw/zinc/39/89/06/439398906.db2.gz BOHISVRCRRPFOZ-NSHDSACASA-N 1 1 344.393 0.379 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541509 439398912 /nfs/dbraw/zinc/39/89/12/439398912.db2.gz BOHISVRCRRPFOZ-NSHDSACASA-N 1 1 344.393 0.379 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)n1 ZINC000599323948 439433103 /nfs/dbraw/zinc/43/31/03/439433103.db2.gz NEIJZZDJQSNXPO-UHFFFAOYSA-N 1 1 331.398 0.481 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)n1 ZINC000599323948 439433105 /nfs/dbraw/zinc/43/31/05/439433105.db2.gz NEIJZZDJQSNXPO-UHFFFAOYSA-N 1 1 331.398 0.481 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594025180 439508369 /nfs/dbraw/zinc/50/83/69/439508369.db2.gz CQENTZLCXCCGDD-BFHYXJOUSA-N 1 1 337.376 0.085 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccnc(NC)c3[N+](=O)[O-])[C@H]2C1 ZINC000594367074 439548723 /nfs/dbraw/zinc/54/87/23/439548723.db2.gz DBRXBFYXJFAITD-QWHCGFSZSA-N 1 1 349.391 0.967 20 5 ECBDMO O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393770 439554296 /nfs/dbraw/zinc/55/42/96/439554296.db2.gz PHNFDGRKYIUKFH-NWDGAFQWSA-N 1 1 330.344 0.967 20 5 ECBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609307118 439563752 /nfs/dbraw/zinc/56/37/52/439563752.db2.gz QYSUGJWAKJFOBE-CYBMUJFWSA-N 1 1 335.364 0.477 20 5 ECBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571779 439577936 /nfs/dbraw/zinc/57/79/36/439577936.db2.gz JKQHNNDACNPOCC-NSHDSACASA-N 1 1 336.396 0.525 20 5 ECBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000609571779 439577940 /nfs/dbraw/zinc/57/79/40/439577940.db2.gz JKQHNNDACNPOCC-NSHDSACASA-N 1 1 336.396 0.525 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000594604271 439581532 /nfs/dbraw/zinc/58/15/32/439581532.db2.gz VOFUTNCJHVXROA-WDEREUQCSA-N 1 1 336.348 0.422 20 5 ECBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600066157 439607206 /nfs/dbraw/zinc/60/72/06/439607206.db2.gz GITLWQZSEORTAI-UHFFFAOYSA-N 1 1 349.343 0.917 20 5 ECBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3ncccc3[N+](=O)[O-])C2)C1 ZINC000594776271 439609040 /nfs/dbraw/zinc/60/90/40/439609040.db2.gz XPPMIDHWLALJNT-ZDUSSCGKSA-N 1 1 326.378 0.706 20 5 ECBDMO Cc1c(CC(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000610982967 439663951 /nfs/dbraw/zinc/66/39/51/439663951.db2.gz LEIREOBYYADSAI-UHFFFAOYSA-N 1 1 348.403 0.678 20 5 ECBDMO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000600469401 439666448 /nfs/dbraw/zinc/66/64/48/439666448.db2.gz APCQNAPIANBFFF-CYBMUJFWSA-N 1 1 334.376 0.890 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(CO)c2)CC1 ZINC000587169493 439667546 /nfs/dbraw/zinc/66/75/46/439667546.db2.gz XDHSBKFNDDZFIR-UHFFFAOYSA-N 1 1 337.380 0.292 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347308828 321235459 /nfs/dbraw/zinc/23/54/59/321235459.db2.gz NNDRLRKWMDGWKY-FRRDWIJNSA-N 1 1 326.349 0.152 20 5 ECBDMO CN(C)c1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)cc[nH+]1 ZINC000353231331 321386128 /nfs/dbraw/zinc/38/61/28/321386128.db2.gz JDEPNNAOIVXFQP-UHFFFAOYSA-N 1 1 346.351 0.136 20 5 ECBDMO O=C([C@H]1C[N@H+]2CCN1CCC2)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534284426 322074366 /nfs/dbraw/zinc/07/43/66/322074366.db2.gz CNTSXNXAVLRADS-MRXNPFEDSA-N 1 1 330.388 0.869 20 5 ECBDMO CN(C)C(=O)C(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541282276 322090697 /nfs/dbraw/zinc/09/06/97/322090697.db2.gz MCTQLPAKERWYOQ-UHFFFAOYSA-N 1 1 343.405 0.825 20 5 ECBDMO CNc1ccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000557847154 322211359 /nfs/dbraw/zinc/21/13/59/322211359.db2.gz LTLCNHJHQBAZSE-UHFFFAOYSA-N 1 1 349.391 0.530 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000564136177 322363484 /nfs/dbraw/zinc/36/34/84/322363484.db2.gz OAYFNKZEKIXCSM-UHFFFAOYSA-N 1 1 325.413 0.889 20 5 ECBDMO CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])cn1C)CC[NH+](C)C ZINC000564136177 322363487 /nfs/dbraw/zinc/36/34/87/322363487.db2.gz OAYFNKZEKIXCSM-UHFFFAOYSA-N 1 1 325.413 0.889 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000190328775 528545478 /nfs/dbraw/zinc/54/54/78/528545478.db2.gz AAGKCPNUWNVESL-UHFFFAOYSA-N 1 1 325.365 0.956 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000619871471 546376354 /nfs/dbraw/zinc/37/63/54/546376354.db2.gz JVLNWDGNGWNJQV-GFCCVEGCSA-N 1 1 337.380 0.953 20 5 ECBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000619873717 546376487 /nfs/dbraw/zinc/37/64/87/546376487.db2.gz RVCVIBLJNUCWFB-AWEZNQCLSA-N 1 1 334.376 0.480 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096527 579347486 /nfs/dbraw/zinc/34/74/86/579347486.db2.gz QBWQIYOYDQANNZ-QWHCGFSZSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750096527 579347487 /nfs/dbraw/zinc/34/74/87/579347487.db2.gz QBWQIYOYDQANNZ-QWHCGFSZSA-N 1 1 329.378 0.381 20 5 ECBDMO CC(C)(C(=O)OCCC[NH+]1CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC000750884591 579360267 /nfs/dbraw/zinc/36/02/67/579360267.db2.gz RNJISEBECHTDSY-UHFFFAOYSA-N 1 1 326.353 0.792 20 5 ECBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+]1CCOCC1 ZINC000736026239 578404010 /nfs/dbraw/zinc/40/40/10/578404010.db2.gz NQXSSABVCFSOGP-SNVBAGLBSA-N 1 1 348.367 0.550 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593216 579285509 /nfs/dbraw/zinc/28/55/09/579285509.db2.gz ROJKAAJIRCDZJY-QWHCGFSZSA-N 1 1 329.378 0.381 20 5 ECBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776593216 579285510 /nfs/dbraw/zinc/28/55/10/579285510.db2.gz ROJKAAJIRCDZJY-QWHCGFSZSA-N 1 1 329.378 0.381 20 5 ECBDMO CN(CC[N@@H+](C)CCO)c1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000894592421 586403656 /nfs/dbraw/zinc/40/36/56/586403656.db2.gz XIOGSRKQIKYOHB-UHFFFAOYSA-N 1 1 325.291 0.707 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000894958116 586421043 /nfs/dbraw/zinc/42/10/43/586421043.db2.gz LMRONKMMZHUAOG-UHFFFAOYSA-N 1 1 340.355 0.436 20 5 ECBDMO C[N@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000907554516 586734520 /nfs/dbraw/zinc/73/45/20/586734520.db2.gz NFAADYDDSNHBRW-MFKMUULPSA-N 1 1 326.378 0.562 20 5 ECBDMO C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000838784089 586824009 /nfs/dbraw/zinc/82/40/09/586824009.db2.gz NVSQQYXBMQEUOX-LBPRGKRZSA-N 1 1 347.375 0.657 20 5 ECBDMO O=C(CC[N@@H+]1CCC[C@@](O)(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839147826 586838347 /nfs/dbraw/zinc/83/83/47/586838347.db2.gz SBORZAHIKARPFK-HNNXBMFYSA-N 1 1 341.339 0.882 20 5 ECBDMO CN1CC[N@@H+](C)CC(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000905332966 586886813 /nfs/dbraw/zinc/88/68/13/586886813.db2.gz QZMSQVZLVMVKGF-UHFFFAOYSA-N 1 1 335.408 0.616 20 5 ECBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000844021656 589089134 /nfs/dbraw/zinc/08/91/34/589089134.db2.gz LJIONEWBXOVEGL-PHIMTYICSA-N 1 1 325.369 0.510 20 5 ECBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000844021656 589089136 /nfs/dbraw/zinc/08/91/36/589089136.db2.gz LJIONEWBXOVEGL-PHIMTYICSA-N 1 1 325.369 0.510 20 5 ECBDMO C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@@H+]1C ZINC000813463057 587254171 /nfs/dbraw/zinc/25/41/71/587254171.db2.gz MEZLSAHBYWBVIG-SNVBAGLBSA-N 1 1 346.343 0.353 20 5 ECBDMO C[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC[N@H+]1C ZINC000813463057 587254172 /nfs/dbraw/zinc/25/41/72/587254172.db2.gz MEZLSAHBYWBVIG-SNVBAGLBSA-N 1 1 346.343 0.353 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@](C)(O)c1ccccc1 ZINC000823592356 587733099 /nfs/dbraw/zinc/73/30/99/587733099.db2.gz RAMNOSIXAUFQKZ-JKSUJKDBSA-N 1 1 334.376 0.992 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](C)C1 ZINC000840500039 587985270 /nfs/dbraw/zinc/98/52/70/587985270.db2.gz KBCCKRXKXDQVFB-LLVKDONJSA-N 1 1 336.348 0.354 20 5 ECBDMO COC(=O)[C@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000840500039 587985272 /nfs/dbraw/zinc/98/52/72/587985272.db2.gz KBCCKRXKXDQVFB-LLVKDONJSA-N 1 1 336.348 0.354 20 5 ECBDMO C[C@@H](CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000826121935 587993921 /nfs/dbraw/zinc/99/39/21/587993921.db2.gz VASKBWRTEWBLQB-SWLSCSKDSA-N 1 1 337.376 0.713 20 5 ECBDMO COC(=O)N(C)CC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000852573373 589501852 /nfs/dbraw/zinc/50/18/52/589501852.db2.gz KATIHEGJSVXORD-CYBMUJFWSA-N 1 1 341.364 0.965 20 5 ECBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000858629334 589762128 /nfs/dbraw/zinc/76/21/28/589762128.db2.gz PKWRWXOYDXJUJK-SECBINFHSA-N 1 1 349.796 0.823 20 5 ECBDMO O=C(Cc1cccc(F)c1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000868089680 589873740 /nfs/dbraw/zinc/87/37/40/589873740.db2.gz UPLFJGDFOUJZQL-ZDUSSCGKSA-N 1 1 336.367 0.783 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCO1 ZINC000119080888 589966724 /nfs/dbraw/zinc/96/67/24/589966724.db2.gz JKPFCGGORUXBHG-RNCFNFMXSA-N 1 1 338.320 0.952 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000119080888 589966726 /nfs/dbraw/zinc/96/67/26/589966726.db2.gz JKPFCGGORUXBHG-RNCFNFMXSA-N 1 1 338.320 0.952 20 5 ECBDMO Cc1c(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000863323793 590004040 /nfs/dbraw/zinc/00/40/40/590004040.db2.gz UPGSAJTYVMSCII-LLVKDONJSA-N 1 1 338.320 0.608 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000872757664 590146580 /nfs/dbraw/zinc/14/65/80/590146580.db2.gz JBKXDBOFYNAJJD-DTWKUNHWSA-N 1 1 349.313 0.992 20 5 ECBDMO O=[N+]([O-])c1ncccc1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000887462966 590970378 /nfs/dbraw/zinc/97/03/78/590970378.db2.gz KSFOCXCPPHIRSF-UHFFFAOYSA-N 1 1 332.364 0.894 20 5 ECBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233377 611526348 /nfs/dbraw/zinc/52/63/48/611526348.db2.gz BAYRGMORTQXRIS-GXVXIZHISA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233377 611526349 /nfs/dbraw/zinc/52/63/49/611526349.db2.gz BAYRGMORTQXRIS-GXVXIZHISA-N 1 1 325.409 0.638 20 5 ECBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)[C@@H]1C(C)C ZINC000926233377 611526350 /nfs/dbraw/zinc/52/63/50/611526350.db2.gz BAYRGMORTQXRIS-GXVXIZHISA-N 1 1 325.409 0.638 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC000928102951 608676575 /nfs/dbraw/zinc/67/65/75/608676575.db2.gz KENHQWHESXFIJD-ONGXEEELSA-N 1 1 325.394 0.638 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)n1 ZINC000928102951 608676578 /nfs/dbraw/zinc/67/65/78/608676578.db2.gz KENHQWHESXFIJD-ONGXEEELSA-N 1 1 325.394 0.638 20 5 ECBDMO C[NH+]1CCN(CCCn2nnc(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000912459012 609958916 /nfs/dbraw/zinc/95/89/16/609958916.db2.gz ODLGEYVBYGYDJN-UHFFFAOYSA-N 1 1 331.380 0.886 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933675914 611740372 /nfs/dbraw/zinc/74/03/72/611740372.db2.gz QHEGVKZINFVLPE-ZFWWWQNUSA-N 1 1 337.376 0.884 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000933675914 611740373 /nfs/dbraw/zinc/74/03/73/611740373.db2.gz QHEGVKZINFVLPE-ZFWWWQNUSA-N 1 1 337.376 0.884 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001022953108 736309135 /nfs/dbraw/zinc/30/91/35/736309135.db2.gz HOEOHTRFKPRAHJ-TXEJJXNPSA-N 1 1 330.348 0.692 20 5 ECBDMO CCc1noc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775254 739943693 /nfs/dbraw/zinc/94/36/93/739943693.db2.gz IKTXJEAFNOQBHR-DJOIZQNCSA-N 1 1 334.376 0.757 20 5 ECBDMO CCc1noc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775254 739943696 /nfs/dbraw/zinc/94/36/96/739943696.db2.gz IKTXJEAFNOQBHR-DJOIZQNCSA-N 1 1 334.376 0.757 20 5 ECBDMO CCc1noc(C)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001025775254 739943701 /nfs/dbraw/zinc/94/37/01/739943701.db2.gz IKTXJEAFNOQBHR-DJOIZQNCSA-N 1 1 334.376 0.757 20 5 ECBDMO CC(C)(C)n1cc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001025776622 739945527 /nfs/dbraw/zinc/94/55/27/739945527.db2.gz CTBSTKSRNWXGHV-QMIVOQANSA-N 1 1 347.419 0.850 20 5 ECBDMO CCn1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000997773652 743802895 /nfs/dbraw/zinc/80/28/95/743802895.db2.gz XHSAPCCZLYHKBR-ZIAGYGMSSA-N 1 1 336.396 0.291 20 5 ECBDMO Cn1nccc1C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000155503 745296587 /nfs/dbraw/zinc/29/65/87/745296587.db2.gz SCMJGJPQIOZHCG-HUUCEWRRSA-N 1 1 347.419 0.946 20 5 ECBDMO COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001002781485 747776758 /nfs/dbraw/zinc/77/67/58/747776758.db2.gz DSOCAQIBFHVPLL-ZIAGYGMSSA-N 1 1 334.376 0.836 20 5 ECBDMO O=C(N[C@H]1C[C@@](C[NH2+]CCCO)(c2ccccc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001105423452 749031078 /nfs/dbraw/zinc/03/10/78/749031078.db2.gz VLCRTPIMPUCPKI-KONPQCLYSA-N 1 1 347.415 0.840 20 5 ECBDMO O=C(NCC[NH2+]Cc1cccc(-n2cccn2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936682 756765317 /nfs/dbraw/zinc/76/53/17/756765317.db2.gz QKJFRECMXZTXOJ-HUUCEWRRSA-N 1 1 329.360 0.743 20 5 ECBDMO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996429747 757658960 /nfs/dbraw/zinc/65/89/60/757658960.db2.gz VXPZWSWKDWWDOB-ZIAGYGMSSA-N 1 1 334.376 0.836 20 5 ECBDMO CC[N@@H+](C)CCC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107321644 758265712 /nfs/dbraw/zinc/26/57/12/758265712.db2.gz IIBZAXSYIARJLL-PLNGDYQASA-N 1 1 337.384 0.393 20 5 ECBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325833 760130857 /nfs/dbraw/zinc/13/08/57/760130857.db2.gz NOCVSVFZUPQKRI-DDHJBXDOSA-N 1 1 339.421 0.968 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC001060415764 765048363 /nfs/dbraw/zinc/04/83/63/765048363.db2.gz SKKXRRHHELQAKW-VIKVFOODSA-N 1 1 342.359 0.746 20 5 ECBDMO C[NH+](C)Cc1cccc(C(=O)NC2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)c1 ZINC000993829362 769697012 /nfs/dbraw/zinc/69/70/12/769697012.db2.gz JGXWMWSFTARWDY-HUUCEWRRSA-N 1 1 346.387 0.354 20 5 ECBDMO Cc1nc(C)c(C[N@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)o1 ZINC001072725931 788653343 /nfs/dbraw/zinc/65/33/43/788653343.db2.gz WBBSNWFQWHCWIP-CHWSQXEVSA-N 1 1 334.376 0.991 20 5 ECBDMO Cc1nc(C)c(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)o1 ZINC001072725931 788653346 /nfs/dbraw/zinc/65/33/46/788653346.db2.gz WBBSNWFQWHCWIP-CHWSQXEVSA-N 1 1 334.376 0.991 20 5 ECBDMO Cc1nc(C)c(C[N@H+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)o1 ZINC001072725931 788653350 /nfs/dbraw/zinc/65/33/50/788653350.db2.gz WBBSNWFQWHCWIP-CHWSQXEVSA-N 1 1 334.376 0.991 20 5 ECBDMO CN(CC[NH2+]CCOc1cccc(F)c1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001267371267 837268810 /nfs/dbraw/zinc/26/88/10/837268810.db2.gz IZTXABMQQXMLMQ-ZIAGYGMSSA-N 1 1 325.340 0.918 20 5 ECBDMO CC(C)NC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CCCC1 ZINC001267838076 838632211 /nfs/dbraw/zinc/63/22/11/838632211.db2.gz SGQZBGFFDCFUOC-VXGBXAGGSA-N 1 1 326.397 0.195 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000131553643 529507445 /nfs/dbraw/zinc/50/74/45/529507445.db2.gz BXOLCGPJPPTJBR-ZDUSSCGKSA-N 1 1 337.376 0.889 20 5 ECBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1[N+](=O)[O-] ZINC000355309185 299236389 /nfs/dbraw/zinc/23/63/89/299236389.db2.gz CFYVRWQROIJJKI-NSHDSACASA-N 1 1 325.369 0.809 20 5 ECBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](C)[NH+]1CCOCC1 ZINC000264205323 246181458 /nfs/dbraw/zinc/18/14/58/246181458.db2.gz FCSCHFGDAKQYPL-NEPJUHHUSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H](C)[NH+]1CCOCC1 ZINC000264205327 246180488 /nfs/dbraw/zinc/18/04/88/246180488.db2.gz FCSCHFGDAKQYPL-RYUDHWBXSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000264245058 246234872 /nfs/dbraw/zinc/23/48/72/246234872.db2.gz GAOMFHJOXBATAH-RYUDHWBXSA-N 1 1 334.376 0.781 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000264245061 246236312 /nfs/dbraw/zinc/23/63/12/246236312.db2.gz GAOMFHJOXBATAH-VXGBXAGGSA-N 1 1 334.376 0.781 20 5 ECBDMO C[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)CN1CC[NH+](C)CC1 ZINC000265109698 247212418 /nfs/dbraw/zinc/21/24/18/247212418.db2.gz KBTHFANANCJTFZ-ZDUSSCGKSA-N 1 1 338.412 0.181 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449786581 211297414 /nfs/dbraw/zinc/29/74/14/211297414.db2.gz OUSSRJUNYHWWPR-LBPRGKRZSA-N 1 1 337.376 0.960 20 5 ECBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000447395526 211188084 /nfs/dbraw/zinc/18/80/84/211188084.db2.gz SUKHZWJNTIWCKR-JSGCOSHPSA-N 1 1 328.369 0.137 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000411917527 208169190 /nfs/dbraw/zinc/16/91/90/208169190.db2.gz CPLUGDNJBSBCOO-IHRRRGAJSA-N 1 1 326.349 0.416 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857261 208154761 /nfs/dbraw/zinc/15/47/61/208154761.db2.gz BXAWSHWRNRUJCW-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1CN(CCO)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857261 208154767 /nfs/dbraw/zinc/15/47/67/208154767.db2.gz BXAWSHWRNRUJCW-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1CN(CCO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411857261 208154773 /nfs/dbraw/zinc/15/47/73/208154773.db2.gz BXAWSHWRNRUJCW-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO O=C(CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866210 221198696 /nfs/dbraw/zinc/19/86/96/221198696.db2.gz DDVUSAOLVFQCHQ-CYBMUJFWSA-N 1 1 349.391 0.725 20 5 ECBDMO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080896200 296625927 /nfs/dbraw/zinc/62/59/27/296625927.db2.gz JHZIHVOEMOFKEZ-MRXNPFEDSA-N 1 1 337.376 0.716 20 5 ECBDMO NC(=O)C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245409413 165105313 /nfs/dbraw/zinc/10/53/13/165105313.db2.gz MCSQZSXVCFMDKG-GXTWGEPZSA-N 1 1 337.376 0.922 20 5 ECBDMO C[C@H](c1ccccc1)[N@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000123864847 222344070 /nfs/dbraw/zinc/34/40/70/222344070.db2.gz NUUHCWUSEIBIMY-DOMZBBRYSA-N 1 1 347.375 0.701 20 5 ECBDMO CCc1[nH]nc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000271003684 263292464 /nfs/dbraw/zinc/29/24/64/263292464.db2.gz GEOLYEXZOMUXBY-NXEZZACHSA-N 1 1 327.410 0.998 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000284515656 264222895 /nfs/dbraw/zinc/22/28/95/264222895.db2.gz DPWMISDMHZRDFU-KBPBESRZSA-N 1 1 337.380 0.503 20 5 ECBDMO CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000284515656 264222897 /nfs/dbraw/zinc/22/28/97/264222897.db2.gz DPWMISDMHZRDFU-KBPBESRZSA-N 1 1 337.380 0.503 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000296083329 265094504 /nfs/dbraw/zinc/09/45/04/265094504.db2.gz FGFNBFBCGUKJKN-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296083329 265094505 /nfs/dbraw/zinc/09/45/05/265094505.db2.gz FGFNBFBCGUKJKN-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189387030 437594816 /nfs/dbraw/zinc/59/48/16/437594816.db2.gz QVXWQFMWCOPDHQ-OLZOCXBDSA-N 1 1 336.392 0.920 20 5 ECBDMO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000268166934 276785837 /nfs/dbraw/zinc/78/58/37/276785837.db2.gz JIRZDSWAUWSQIM-JTQLQIEISA-N 1 1 344.393 0.114 20 5 ECBDMO CC(C)(C)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O ZINC000182156545 277227345 /nfs/dbraw/zinc/22/73/45/277227345.db2.gz PISAIQPDEOOFAK-LBPRGKRZSA-N 1 1 343.405 0.858 20 5 ECBDMO Cc1cc[nH+]c(N2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000332113088 297003370 /nfs/dbraw/zinc/00/33/70/297003370.db2.gz GOOBXVLTXWUDIO-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO Cc1nocc1C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000339262169 297330476 /nfs/dbraw/zinc/33/04/76/297330476.db2.gz PBNVQZWEKNBPSF-UHFFFAOYSA-N 1 1 340.361 0.959 20 5 ECBDMO C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCCCC1 ZINC000339439039 297348800 /nfs/dbraw/zinc/34/88/00/297348800.db2.gz ZCCCXOZZBAJHPC-SNVBAGLBSA-N 1 1 338.368 0.038 20 5 ECBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346643481 298310851 /nfs/dbraw/zinc/31/08/51/298310851.db2.gz LRECZWHOHDGXDD-JMGFVUJMSA-N 1 1 349.387 0.920 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361511564 300103509 /nfs/dbraw/zinc/10/35/09/300103509.db2.gz SXXFVYLRDJTKFN-BNOWGMLFSA-N 1 1 326.353 0.032 20 5 ECBDMO NS(=O)(=O)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362803673 300222436 /nfs/dbraw/zinc/22/24/36/300222436.db2.gz XYFUFQYPDCMZDI-UHFFFAOYSA-N 1 1 344.393 0.185 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000363192843 300253259 /nfs/dbraw/zinc/25/32/59/300253259.db2.gz OVXBYAXEGNWDLK-STQMWFEESA-N 1 1 334.376 0.986 20 5 ECBDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345009 300347969 /nfs/dbraw/zinc/34/79/69/300347969.db2.gz ZOQTVQNEULNWJW-MNOVXSKESA-N 1 1 338.368 0.662 20 5 ECBDMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345009 300347970 /nfs/dbraw/zinc/34/79/70/300347970.db2.gz ZOQTVQNEULNWJW-MNOVXSKESA-N 1 1 338.368 0.662 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000373591247 301069663 /nfs/dbraw/zinc/06/96/63/301069663.db2.gz DWGAOSZNBZENSK-UHFFFAOYSA-N 1 1 345.363 0.704 20 5 ECBDMO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000377749367 301372201 /nfs/dbraw/zinc/37/22/01/301372201.db2.gz UBTNDHWFAPPSEX-OAHLLOKOSA-N 1 1 348.403 0.731 20 5 ECBDMO CNC(=O)C[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000046485452 436397222 /nfs/dbraw/zinc/39/72/22/436397222.db2.gz LELHJTAFOVISSZ-UHFFFAOYSA-N 1 1 338.393 0.926 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC000046971564 436406928 /nfs/dbraw/zinc/40/69/28/436406928.db2.gz ABUOTUKCPVSYEG-UHFFFAOYSA-N 1 1 349.391 0.549 20 5 ECBDMO COc1cc(S(=O)(=O)N2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000091028271 436439333 /nfs/dbraw/zinc/43/93/33/436439333.db2.gz PYYOKEAAZZFOEU-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO COc1cc(S(=O)(=O)N2CCC[N@@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000091028271 436439334 /nfs/dbraw/zinc/43/93/34/436439334.db2.gz PYYOKEAAZZFOEU-UHFFFAOYSA-N 1 1 329.378 0.930 20 5 ECBDMO C[N@@H+]1CC=C(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000544846126 302229028 /nfs/dbraw/zinc/22/90/28/302229028.db2.gz RGAXRSDNJILQGA-UHFFFAOYSA-N 1 1 326.378 0.916 20 5 ECBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000120423335 436685909 /nfs/dbraw/zinc/68/59/09/436685909.db2.gz GULIXVNVLJSXID-UHFFFAOYSA-N 1 1 325.369 0.748 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CCO)CC1 ZINC000068128247 436735311 /nfs/dbraw/zinc/73/53/11/436735311.db2.gz IKALFFFTPPCGKL-UHFFFAOYSA-N 1 1 336.392 0.842 20 5 ECBDMO CC[N@H+]1CCCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000127949446 436810351 /nfs/dbraw/zinc/81/03/51/436810351.db2.gz SXPLWEZYWSSXCY-UHFFFAOYSA-N 1 1 328.394 0.774 20 5 ECBDMO C[C@H](CO)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248893127 436812759 /nfs/dbraw/zinc/81/27/59/436812759.db2.gz GDAIPEQOXZISDJ-NEPJUHHUSA-N 1 1 325.365 0.621 20 5 ECBDMO C[C@H](CO)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O ZINC000248893127 436812760 /nfs/dbraw/zinc/81/27/60/436812760.db2.gz GDAIPEQOXZISDJ-NEPJUHHUSA-N 1 1 325.365 0.621 20 5 ECBDMO C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273964855 436790522 /nfs/dbraw/zinc/79/05/22/436790522.db2.gz GXDYIDUEWDTPMI-HZMBPMFUSA-N 1 1 333.348 0.979 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000274554692 436842905 /nfs/dbraw/zinc/84/29/05/436842905.db2.gz NQFMMIKLTVSZRS-UHFFFAOYSA-N 1 1 341.364 0.413 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1CCOC ZINC000130935310 436844672 /nfs/dbraw/zinc/84/46/72/436844672.db2.gz QCHYWIWTBJWRHB-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CCC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1CCOC ZINC000130935310 436844677 /nfs/dbraw/zinc/84/46/77/436844677.db2.gz QCHYWIWTBJWRHB-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CN1CCN([C@@H]2CCCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000161863396 436898151 /nfs/dbraw/zinc/89/81/51/436898151.db2.gz KTBWEJZHMDNMNM-OAHLLOKOSA-N 1 1 336.440 0.893 20 5 ECBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CC(N)=O)c1ccccc1 ZINC000280638128 436909123 /nfs/dbraw/zinc/90/91/23/436909123.db2.gz XYVKOUGHJQNWQK-CABCVRRESA-N 1 1 347.375 0.701 20 5 ECBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CC(N)=O)c1ccccc1 ZINC000280638140 436909677 /nfs/dbraw/zinc/90/96/77/436909677.db2.gz XYVKOUGHJQNWQK-LSDHHAIUSA-N 1 1 347.375 0.701 20 5 ECBDMO O=c1[nH]c(N2CCC[N@H+](CCO)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000281270552 436958299 /nfs/dbraw/zinc/95/82/99/436958299.db2.gz WDMWXISDEIEMTD-UHFFFAOYSA-N 1 1 333.348 0.748 20 5 ECBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)CN1CCOCC1 ZINC000283048422 437023346 /nfs/dbraw/zinc/02/33/46/437023346.db2.gz ITCNUMQXJWDNLD-ZDUSSCGKSA-N 1 1 327.356 0.859 20 5 ECBDMO C[N@H+]1CCCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1 ZINC000298076531 437025661 /nfs/dbraw/zinc/02/56/61/437025661.db2.gz CNMZGWGJGLAHJP-UHFFFAOYSA-N 1 1 346.343 0.355 20 5 ECBDMO Cc1cccc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000172025005 436996823 /nfs/dbraw/zinc/99/68/23/436996823.db2.gz YZTBICZTTRTYPH-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO COCC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000275680019 436999324 /nfs/dbraw/zinc/99/93/24/436999324.db2.gz PJIWVKZWCDYGOU-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000275680019 436999326 /nfs/dbraw/zinc/99/93/26/436999326.db2.gz PJIWVKZWCDYGOU-UHFFFAOYSA-N 1 1 347.393 0.460 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000275687234 437001379 /nfs/dbraw/zinc/00/13/79/437001379.db2.gz QBDYFPMUWUNCGN-ZDUSSCGKSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000275687234 437001383 /nfs/dbraw/zinc/00/13/83/437001383.db2.gz QBDYFPMUWUNCGN-ZDUSSCGKSA-N 1 1 343.405 0.735 20 5 ECBDMO CNS(=O)(=O)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000276111515 437058377 /nfs/dbraw/zinc/05/83/77/437058377.db2.gz XQRAMKOESNEPCC-UHFFFAOYSA-N 1 1 333.366 0.251 20 5 ECBDMO [NH3+]Cc1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cs1 ZINC000325749904 437231381 /nfs/dbraw/zinc/23/13/81/437231381.db2.gz ZBNBPUVQGCXWJT-UHFFFAOYSA-N 1 1 348.388 0.867 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000334009006 437292693 /nfs/dbraw/zinc/29/26/93/437292693.db2.gz QFBLMEVKCQHQSF-VXGBXAGGSA-N 1 1 334.376 0.876 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000334009006 437292696 /nfs/dbraw/zinc/29/26/96/437292696.db2.gz QFBLMEVKCQHQSF-VXGBXAGGSA-N 1 1 334.376 0.876 20 5 ECBDMO O=C1NC(=O)[C@]2(CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)N1 ZINC000279068536 437370145 /nfs/dbraw/zinc/37/01/45/437370145.db2.gz MKFSSAHGMBBAIC-OAHLLOKOSA-N 1 1 334.332 0.648 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000288614612 437338234 /nfs/dbraw/zinc/33/82/34/437338234.db2.gz LMQUQQRVGCFCCJ-UHFFFAOYSA-N 1 1 344.437 0.757 20 5 ECBDMO CN(CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000288614612 437338238 /nfs/dbraw/zinc/33/82/38/437338238.db2.gz LMQUQQRVGCFCCJ-UHFFFAOYSA-N 1 1 344.437 0.757 20 5 ECBDMO COc1ccc(NC(=O)C[N@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289987930 437455773 /nfs/dbraw/zinc/45/57/73/437455773.db2.gz YCPVDHOWEXLJBI-JTQLQIEISA-N 1 1 327.337 0.217 20 5 ECBDMO COc1ccc(NC(=O)C[N@@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289987930 437455777 /nfs/dbraw/zinc/45/57/77/437455777.db2.gz YCPVDHOWEXLJBI-JTQLQIEISA-N 1 1 327.337 0.217 20 5 ECBDMO C[C@H](O)C[NH+]1CCN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000189307488 437591105 /nfs/dbraw/zinc/59/11/05/437591105.db2.gz RWIDJWSWVVIGKM-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000354923118 437658082 /nfs/dbraw/zinc/65/80/82/437658082.db2.gz NBKSXGGBABBQGN-VXGBXAGGSA-N 1 1 340.332 0.074 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2CO)cc1[N+](=O)[O-] ZINC000354923118 437658087 /nfs/dbraw/zinc/65/80/87/437658087.db2.gz NBKSXGGBABBQGN-VXGBXAGGSA-N 1 1 340.332 0.074 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192505547 437679771 /nfs/dbraw/zinc/67/97/71/437679771.db2.gz COEHABZMMIYBQN-FPMFFAJLSA-N 1 1 346.387 0.733 20 5 ECBDMO Nc1nc(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000355725096 437727539 /nfs/dbraw/zinc/72/75/39/437727539.db2.gz WSXXXMFAMKKVHA-INIZCTEOSA-N 1 1 344.375 1.016 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000356535169 437780681 /nfs/dbraw/zinc/78/06/81/437780681.db2.gz XHZDZYHQLFOSKP-UHFFFAOYSA-N 1 1 341.387 0.929 20 5 ECBDMO CN(CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CC[NH+](C)C ZINC000356535169 437780685 /nfs/dbraw/zinc/78/06/85/437780685.db2.gz XHZDZYHQLFOSKP-UHFFFAOYSA-N 1 1 341.387 0.929 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000416291691 437906674 /nfs/dbraw/zinc/90/66/74/437906674.db2.gz HXGGWVZAXOSGMX-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO CCn1cc(S(=O)(=O)[N-]CCN2CC=C(C)CC2)c([N+](=O)[O-])n1 ZINC000357885859 438089463 /nfs/dbraw/zinc/08/94/63/438089463.db2.gz BFCJEKYNLLDUDW-UHFFFAOYSA-N 1 1 343.409 0.742 20 5 ECBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000428776400 438095902 /nfs/dbraw/zinc/09/59/02/438095902.db2.gz FFRVELINSORKQK-OAHLLOKOSA-N 1 1 339.348 0.752 20 5 ECBDMO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@H+]1CCc2ccccc2C1 ZINC000342807431 438065006 /nfs/dbraw/zinc/06/50/06/438065006.db2.gz ZNQXJYNYYLFXLJ-GFCCVEGCSA-N 1 1 344.375 0.749 20 5 ECBDMO O=C(CC[N@H+]1CC[C@H]2OCC(=O)N[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366759149 438121329 /nfs/dbraw/zinc/12/13/29/438121329.db2.gz PLHMAJSZHYDMBG-UONOGXRCSA-N 1 1 348.359 0.513 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182304 438133766 /nfs/dbraw/zinc/13/37/66/438133766.db2.gz HPWDBGVIDBMHQL-STQMWFEESA-N 1 1 338.364 0.427 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000358041865 438129365 /nfs/dbraw/zinc/12/93/65/438129365.db2.gz GGIVRAZDGTUCDK-INIZCTEOSA-N 1 1 332.360 0.801 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358093347 438149868 /nfs/dbraw/zinc/14/98/68/438149868.db2.gz MNNDCDIXYGBBPF-OAHLLOKOSA-N 1 1 336.348 0.025 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)s1 ZINC000367152342 438173457 /nfs/dbraw/zinc/17/34/57/438173457.db2.gz GJPMCSFSRUOIHL-NSHDSACASA-N 1 1 327.410 0.870 20 5 ECBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)s1 ZINC000367152342 438173461 /nfs/dbraw/zinc/17/34/61/438173461.db2.gz GJPMCSFSRUOIHL-NSHDSACASA-N 1 1 327.410 0.870 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377654979 438318957 /nfs/dbraw/zinc/31/89/57/438318957.db2.gz PJZWNZAKBFNHFZ-PWSUYJOCSA-N 1 1 348.359 0.610 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377654979 438318961 /nfs/dbraw/zinc/31/89/61/438318961.db2.gz PJZWNZAKBFNHFZ-PWSUYJOCSA-N 1 1 348.359 0.610 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)N1 ZINC000434799051 438325716 /nfs/dbraw/zinc/32/57/16/438325716.db2.gz OHXVFZYSBCTIGW-HNNXBMFYSA-N 1 1 344.331 0.645 20 5 ECBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)N1 ZINC000434799051 438325721 /nfs/dbraw/zinc/32/57/21/438325721.db2.gz OHXVFZYSBCTIGW-HNNXBMFYSA-N 1 1 344.331 0.645 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476532 438300237 /nfs/dbraw/zinc/30/02/37/438300237.db2.gz JOYQZGWSBLPNPH-NEPJUHHUSA-N 1 1 340.405 0.911 20 5 ECBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)C2)nc1 ZINC000434476532 438300242 /nfs/dbraw/zinc/30/02/42/438300242.db2.gz JOYQZGWSBLPNPH-NEPJUHHUSA-N 1 1 340.405 0.911 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000378183843 438358463 /nfs/dbraw/zinc/35/84/63/438358463.db2.gz PMVLVSLUGYMIIG-OAHLLOKOSA-N 1 1 344.375 0.967 20 5 ECBDMO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000378183843 438358469 /nfs/dbraw/zinc/35/84/69/438358469.db2.gz PMVLVSLUGYMIIG-OAHLLOKOSA-N 1 1 344.375 0.967 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234877 438365528 /nfs/dbraw/zinc/36/55/28/438365528.db2.gz MUENSAKVCVAEOX-QWHCGFSZSA-N 1 1 334.332 0.206 20 5 ECBDMO CN1C(=O)[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000378234877 438365532 /nfs/dbraw/zinc/36/55/32/438365532.db2.gz MUENSAKVCVAEOX-QWHCGFSZSA-N 1 1 334.332 0.206 20 5 ECBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)C1 ZINC000378361909 438380736 /nfs/dbraw/zinc/38/07/36/438380736.db2.gz UFAJBSOUAXKTGP-ZDUSSCGKSA-N 1 1 345.407 0.854 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420630608 438414930 /nfs/dbraw/zinc/41/49/30/438414930.db2.gz FCFTWLHDFZQKSW-LLVKDONJSA-N 1 1 328.394 0.773 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405299559 438468841 /nfs/dbraw/zinc/46/88/41/438468841.db2.gz IRJHMTISJASQRM-NWDGAFQWSA-N 1 1 327.362 0.034 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405299559 438468844 /nfs/dbraw/zinc/46/88/44/438468844.db2.gz IRJHMTISJASQRM-NWDGAFQWSA-N 1 1 327.362 0.034 20 5 ECBDMO CCC[C@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968944 438453485 /nfs/dbraw/zinc/45/34/85/438453485.db2.gz AUSLJWMVEJHHHZ-ZDUSSCGKSA-N 1 1 345.421 0.966 20 5 ECBDMO C[C@H](O)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420968950 438454486 /nfs/dbraw/zinc/45/44/86/438454486.db2.gz AVZKRHGMQBTPRO-LBPRGKRZSA-N 1 1 345.421 0.966 20 5 ECBDMO CC[C@@H](O)C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420975415 438457488 /nfs/dbraw/zinc/45/74/88/438457488.db2.gz QTLAJXLQYVNCTA-GFCCVEGCSA-N 1 1 331.394 0.576 20 5 ECBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1CCCO)n1cc([N+](=O)[O-])cn1 ZINC000452773855 438672498 /nfs/dbraw/zinc/67/24/98/438672498.db2.gz BSSVTDKZCCWRFV-LBPRGKRZSA-N 1 1 339.396 0.489 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000450952223 438694701 /nfs/dbraw/zinc/69/47/01/438694701.db2.gz HMWPGGORQHWIAL-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1c1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000450952223 438694707 /nfs/dbraw/zinc/69/47/07/438694707.db2.gz HMWPGGORQHWIAL-JTQLQIEISA-N 1 1 333.348 0.746 20 5 ECBDMO NS(=O)(=O)c1cccc(N[C@H]2CCc3c[nH+]cn3C2)c1[N+](=O)[O-] ZINC000588067613 438816079 /nfs/dbraw/zinc/81/60/79/438816079.db2.gz CGXNPEKNFMACHU-VIFPVBQESA-N 1 1 337.361 0.866 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000601142228 438823608 /nfs/dbraw/zinc/82/36/08/438823608.db2.gz NYSZWVVHLOGPKU-MRVPVSSYSA-N 1 1 335.286 0.868 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000601142228 438823611 /nfs/dbraw/zinc/82/36/11/438823611.db2.gz NYSZWVVHLOGPKU-MRVPVSSYSA-N 1 1 335.286 0.868 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000601142229 438824214 /nfs/dbraw/zinc/82/42/14/438824214.db2.gz NYSZWVVHLOGPKU-QMMMGPOBSA-N 1 1 335.286 0.868 20 5 ECBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000601142229 438824217 /nfs/dbraw/zinc/82/42/17/438824217.db2.gz NYSZWVVHLOGPKU-QMMMGPOBSA-N 1 1 335.286 0.868 20 5 ECBDMO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000588777710 438839309 /nfs/dbraw/zinc/83/93/09/438839309.db2.gz XQRIVRKWKVZWBH-CYBMUJFWSA-N 1 1 334.376 0.730 20 5 ECBDMO CO[C@]1(CO)CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000595661089 438841541 /nfs/dbraw/zinc/84/15/41/438841541.db2.gz IAZZIFWLFZUTTA-GDBMZVCRSA-N 1 1 340.376 0.808 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1COCCO1 ZINC000595735171 438850638 /nfs/dbraw/zinc/85/06/38/438850638.db2.gz DDQCUHJUXOPDLI-CHWSQXEVSA-N 1 1 326.349 0.682 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728767 438851784 /nfs/dbraw/zinc/85/17/84/438851784.db2.gz OQKLYAAOEDLVAY-MCIONIFRSA-N 1 1 349.387 0.935 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590281504 438906995 /nfs/dbraw/zinc/90/69/95/438906995.db2.gz OBLOSYUXCYARMA-GXFFZTMASA-N 1 1 348.359 0.704 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595865138 438873326 /nfs/dbraw/zinc/87/33/26/438873326.db2.gz ZQWBMDCPDHKXND-OAHLLOKOSA-N 1 1 336.392 0.288 20 5 ECBDMO C[N@H+]1CC[C@H]2CCN(c3ccc(S(N)(=O)=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000590582784 438934806 /nfs/dbraw/zinc/93/48/06/438934806.db2.gz UQYKOEONBZNNIH-GWCFXTLKSA-N 1 1 340.405 0.773 20 5 ECBDMO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000596248220 438946169 /nfs/dbraw/zinc/94/61/69/438946169.db2.gz UHHUNSFKFOSAEQ-AOOOYVTPSA-N 1 1 328.394 0.771 20 5 ECBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602705030 439125470 /nfs/dbraw/zinc/12/54/70/439125470.db2.gz YKHLLQLIKJIHAI-LLVKDONJSA-N 1 1 335.286 0.829 20 5 ECBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602705030 439125477 /nfs/dbraw/zinc/12/54/77/439125477.db2.gz YKHLLQLIKJIHAI-LLVKDONJSA-N 1 1 335.286 0.829 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000602817478 439140559 /nfs/dbraw/zinc/14/05/59/439140559.db2.gz IEHXKCSKGIABJZ-GFCCVEGCSA-N 1 1 330.410 0.999 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000602817478 439140566 /nfs/dbraw/zinc/14/05/66/439140566.db2.gz IEHXKCSKGIABJZ-GFCCVEGCSA-N 1 1 330.410 0.999 20 5 ECBDMO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCN1CCC2 ZINC000597627726 439142875 /nfs/dbraw/zinc/14/28/75/439142875.db2.gz WMBUZHSIPQVRHB-CQSZACIVSA-N 1 1 336.367 0.783 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000602924244 439161686 /nfs/dbraw/zinc/16/16/86/439161686.db2.gz MQKRCKAEWZNLDP-HZPDHXFCSA-N 1 1 345.355 0.881 20 5 ECBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000597708547 439164017 /nfs/dbraw/zinc/16/40/17/439164017.db2.gz AQGKARMQDMDAMO-ZDUSSCGKSA-N 1 1 337.380 0.505 20 5 ECBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C ZINC000581543618 439225114 /nfs/dbraw/zinc/22/51/14/439225114.db2.gz OJPXAHMXFLMPIN-JTQLQIEISA-N 1 1 329.378 0.435 20 5 ECBDMO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000597800894 439184778 /nfs/dbraw/zinc/18/47/78/439184778.db2.gz BMYQKCFFIRUDGM-VIFPVBQESA-N 1 1 329.378 0.678 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340976 439208603 /nfs/dbraw/zinc/20/86/03/439208603.db2.gz IKJYONRJPQVOSS-FZMZJTMJSA-N 1 1 337.380 0.985 20 5 ECBDMO C[NH+]1CCN(C(=O)C2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000603856812 439285980 /nfs/dbraw/zinc/28/59/80/439285980.db2.gz XMCCODOFPWNFIQ-UHFFFAOYSA-N 1 1 333.392 0.980 20 5 ECBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH+]c[nH]c3C2)ncnc1N1CCOCC1 ZINC000598626995 439291884 /nfs/dbraw/zinc/29/18/84/439291884.db2.gz NLKDJTDFSRHKMB-SNVBAGLBSA-N 1 1 345.363 0.914 20 5 ECBDMO O=[N+]([O-])c1c(N[C@@H]2CCc3[nH]c[nH+]c3C2)ncnc1N1CCOCC1 ZINC000598626995 439291889 /nfs/dbraw/zinc/29/18/89/439291889.db2.gz NLKDJTDFSRHKMB-SNVBAGLBSA-N 1 1 345.363 0.914 20 5 ECBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000604267962 439304393 /nfs/dbraw/zinc/30/43/93/439304393.db2.gz JIPWSZBQJGEBRZ-YPMHNXCESA-N 1 1 334.376 0.924 20 5 ECBDMO CNc1nccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000569132454 439308428 /nfs/dbraw/zinc/30/84/28/439308428.db2.gz CDSKIDWPODXWGG-LBPRGKRZSA-N 1 1 349.391 0.826 20 5 ECBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599106982 439360220 /nfs/dbraw/zinc/36/02/20/439360220.db2.gz JNCFBQWDWBLJAX-LLVKDONJSA-N 1 1 329.378 0.424 20 5 ECBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000599107676 439360262 /nfs/dbraw/zinc/36/02/62/439360262.db2.gz QZQMTZOYUCKZDA-LBPRGKRZSA-N 1 1 329.378 0.045 20 5 ECBDMO COCC[N@@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593337941 439369593 /nfs/dbraw/zinc/36/95/93/439369593.db2.gz GZUOLEVVMJAJQE-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO COCC[N@H+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593337941 439369596 /nfs/dbraw/zinc/36/95/96/439369596.db2.gz GZUOLEVVMJAJQE-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 ZINC000583082602 439416972 /nfs/dbraw/zinc/41/69/72/439416972.db2.gz IDYOWHZFICGHTO-UHFFFAOYSA-N 1 1 347.331 0.186 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593854884 439478955 /nfs/dbraw/zinc/47/89/55/439478955.db2.gz MDQZVPWWHIXAHA-CQSZACIVSA-N 1 1 349.387 0.950 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593854884 439478961 /nfs/dbraw/zinc/47/89/61/439478961.db2.gz MDQZVPWWHIXAHA-CQSZACIVSA-N 1 1 349.387 0.950 20 5 ECBDMO O=c1[nH]c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12 ZINC000594603696 439581930 /nfs/dbraw/zinc/58/19/30/439581930.db2.gz LIDVGBVIUMAYJV-WDEREUQCSA-N 1 1 331.332 0.499 20 5 ECBDMO COCCC[N@@H+](C)CCNS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594757683 439601861 /nfs/dbraw/zinc/60/18/61/439601861.db2.gz HZEHPHJZGZAHNY-UHFFFAOYSA-N 1 1 332.382 0.236 20 5 ECBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000610263316 439606484 /nfs/dbraw/zinc/60/64/84/439606484.db2.gz YEOWNWRZEIMEEQ-NSHDSACASA-N 1 1 326.378 0.752 20 5 ECBDMO COc1ccc(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] ZINC000594965430 439645024 /nfs/dbraw/zinc/64/50/24/439645024.db2.gz IBMGHLAUNZJNBX-ZWNOBZJWSA-N 1 1 330.362 0.505 20 5 ECBDMO COc1ccc(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2OC)cc1[N+](=O)[O-] ZINC000594965428 439645257 /nfs/dbraw/zinc/64/52/57/439645257.db2.gz IBMGHLAUNZJNBX-GXFFZTMASA-N 1 1 330.362 0.505 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000610489304 439621048 /nfs/dbraw/zinc/62/10/48/439621048.db2.gz ZVPURXKUJCTXPP-CYBMUJFWSA-N 1 1 349.391 0.780 20 5 ECBDMO Cn1ccnc1[C@H]([NH2+]CCc1nnnn1C)c1ccc([N+](=O)[O-])cc1 ZINC000611560833 439706784 /nfs/dbraw/zinc/70/67/84/439706784.db2.gz KVJWFGSYAFTRDG-CQSZACIVSA-N 1 1 342.363 0.774 20 5 ECBDMO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000574564490 439714067 /nfs/dbraw/zinc/71/40/67/439714067.db2.gz RMJLEMISXKQANG-UHFFFAOYSA-N 1 1 335.408 0.880 20 5 ECBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000595505249 439734954 /nfs/dbraw/zinc/73/49/54/439734954.db2.gz PEHHPNHPSPNXEK-KRWDZBQOSA-N 1 1 349.387 0.894 20 5 ECBDMO O=C([C@@H]1C[N@H+]2CCN1CCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000615879871 439808015 /nfs/dbraw/zinc/80/80/15/439808015.db2.gz NALTVYXMQIPEKR-INIZCTEOSA-N 1 1 346.387 0.574 20 5 ECBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000345104069 321173844 /nfs/dbraw/zinc/17/38/44/321173844.db2.gz NYACIODEMQKBID-LBPRGKRZSA-N 1 1 336.348 0.882 20 5 ECBDMO O=C1CC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476908 321223280 /nfs/dbraw/zinc/22/32/80/321223280.db2.gz JLUMGQKGQJOKGH-ZIAGYGMSSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476908 321223281 /nfs/dbraw/zinc/22/32/81/321223281.db2.gz JLUMGQKGQJOKGH-ZIAGYGMSSA-N 1 1 335.360 0.641 20 5 ECBDMO COc1cc(C[N@@H+](C)C[C@H](O)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000352540568 321363529 /nfs/dbraw/zinc/36/35/29/321363529.db2.gz MTMHAPJWIRTPNZ-AWEZNQCLSA-N 1 1 339.392 0.728 20 5 ECBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373516273 321812890 /nfs/dbraw/zinc/81/28/90/321812890.db2.gz QMXBOYCOEBEWII-UHFFFAOYSA-N 1 1 346.347 0.828 20 5 ECBDMO COC(=O)Cn1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)nn1 ZINC000565873343 322483757 /nfs/dbraw/zinc/48/37/57/322483757.db2.gz FGLGUWXCMRIKCZ-UHFFFAOYSA-N 1 1 335.320 0.528 20 5 ECBDMO CCOC(=O)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000130761830 528801284 /nfs/dbraw/zinc/80/12/84/528801284.db2.gz KAUDQKNTUYJLMI-GFCCVEGCSA-N 1 1 328.369 0.816 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619253034 546311277 /nfs/dbraw/zinc/31/12/77/546311277.db2.gz PQJOMHSFTJUYBI-QWHCGFSZSA-N 1 1 338.339 0.401 20 5 ECBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737007645 578473076 /nfs/dbraw/zinc/47/30/76/578473076.db2.gz PDIBFWHIHRAQFP-JTQLQIEISA-N 1 1 333.352 0.908 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000797414203 578633732 /nfs/dbraw/zinc/63/37/32/578633732.db2.gz MVBPCIMLACIMFW-OAHLLOKOSA-N 1 1 334.332 0.918 20 5 ECBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000797414203 578633733 /nfs/dbraw/zinc/63/37/33/578633733.db2.gz MVBPCIMLACIMFW-OAHLLOKOSA-N 1 1 334.332 0.918 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591387 579285196 /nfs/dbraw/zinc/28/51/96/579285196.db2.gz OSLHENSOTUTSLG-CHWSQXEVSA-N 1 1 329.378 0.252 20 5 ECBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591387 579285197 /nfs/dbraw/zinc/28/51/97/579285197.db2.gz OSLHENSOTUTSLG-CHWSQXEVSA-N 1 1 329.378 0.252 20 5 ECBDMO Cc1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000762718070 579546811 /nfs/dbraw/zinc/54/68/11/579546811.db2.gz NTLRZKFTDYCPPO-AWEZNQCLSA-N 1 1 338.320 0.608 20 5 ECBDMO CC(C)(C(=O)NC1CC[NH+](CC(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000739687075 579703493 /nfs/dbraw/zinc/70/34/93/579703493.db2.gz AHSJZSWMZCDSLG-UHFFFAOYSA-N 1 1 348.403 0.938 20 5 ECBDMO COc1cc(C[NH2+]CCS(=O)(=O)C2CC2)c([N+](=O)[O-])cc1O ZINC000840964060 588975724 /nfs/dbraw/zinc/97/57/24/588975724.db2.gz HEOXTPAWDDCGEW-UHFFFAOYSA-N 1 1 330.362 0.976 20 5 ECBDMO CN(CC(=O)N1CCN(C)CC[N@@H+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000888991180 586255992 /nfs/dbraw/zinc/25/59/92/586255992.db2.gz RQJWPFWZEUKLJL-UHFFFAOYSA-N 1 1 349.435 0.737 20 5 ECBDMO COCC(COC)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2OC)CC1 ZINC000894180955 586378138 /nfs/dbraw/zinc/37/81/38/586378138.db2.gz IJXXUJLAKRQMDQ-UHFFFAOYSA-N 1 1 340.380 0.782 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000894957829 586421095 /nfs/dbraw/zinc/42/10/95/586421095.db2.gz KLGFRFMXJKUJTQ-UHFFFAOYSA-N 1 1 327.772 0.853 20 5 ECBDMO C[C@H](NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](C)CCN1C ZINC000900800809 586669099 /nfs/dbraw/zinc/66/90/99/586669099.db2.gz DUTLZJCPCBHWOT-WCQYABFASA-N 1 1 338.412 0.277 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808159309 587146421 /nfs/dbraw/zinc/14/64/21/587146421.db2.gz BUFZGNVTJIOLDO-ZIAGYGMSSA-N 1 1 348.403 0.942 20 5 ECBDMO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823812599 587744175 /nfs/dbraw/zinc/74/41/75/587744175.db2.gz NBMKWYKUEPONFZ-CVEARBPZSA-N 1 1 349.387 0.951 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825747378 587959119 /nfs/dbraw/zinc/95/91/19/587959119.db2.gz UPFVGZKIKYEBLL-UKRRQHHQSA-N 1 1 337.376 0.855 20 5 ECBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCC[N@@H+]1CC[C@H](O)C1 ZINC000827749758 588138851 /nfs/dbraw/zinc/13/88/51/588138851.db2.gz OYRJVEQQCMIHDR-ZDUSSCGKSA-N 1 1 325.340 0.849 20 5 ECBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000858628372 589761216 /nfs/dbraw/zinc/76/12/16/589761216.db2.gz MQFPFASUJFXBAC-VIFPVBQESA-N 1 1 349.796 0.823 20 5 ECBDMO O=C(O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1COC(=O)N1 ZINC000860780885 589800665 /nfs/dbraw/zinc/80/06/65/589800665.db2.gz QPKWZAAPTWMBFE-STQMWFEESA-N 1 1 335.316 0.821 20 5 ECBDMO O=C(O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1COC(=O)N1 ZINC000860780885 589800668 /nfs/dbraw/zinc/80/06/68/589800668.db2.gz QPKWZAAPTWMBFE-STQMWFEESA-N 1 1 335.316 0.821 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])CC[C@@H]21 ZINC000867811221 589847153 /nfs/dbraw/zinc/84/71/53/589847153.db2.gz AWUNUWBYCYMTFB-MNOVXSKESA-N 1 1 326.378 0.705 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000879355727 590581479 /nfs/dbraw/zinc/58/14/79/590581479.db2.gz KUIRHELNYWRBTP-OAHLLOKOSA-N 1 1 336.392 0.334 20 5 ECBDMO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CC[N+](=O)[O-])CC2)C1 ZINC000930497763 611436213 /nfs/dbraw/zinc/43/62/13/611436213.db2.gz QTVUIJMTUNZKKA-ZDUSSCGKSA-N 1 1 328.413 0.890 20 5 ECBDMO C[N@@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000931403084 611536717 /nfs/dbraw/zinc/53/67/17/611536717.db2.gz IWGUXMCOUBFDJR-GJZGRUSLSA-N 1 1 334.376 0.308 20 5 ECBDMO C[N@H+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CO ZINC000931403084 611536719 /nfs/dbraw/zinc/53/67/19/611536719.db2.gz IWGUXMCOUBFDJR-GJZGRUSLSA-N 1 1 334.376 0.308 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170691058 609751796 /nfs/dbraw/zinc/75/17/96/609751796.db2.gz YPPSWJWNHSAWGR-SNVBAGLBSA-N 1 1 346.384 0.739 20 5 ECBDMO NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000170691058 609751797 /nfs/dbraw/zinc/75/17/97/609751797.db2.gz YPPSWJWNHSAWGR-SNVBAGLBSA-N 1 1 346.384 0.739 20 5 ECBDMO C[NH+](C)C1(C(=O)N2CCCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CCC1 ZINC000941012409 610493144 /nfs/dbraw/zinc/49/31/44/610493144.db2.gz BCIXHOAPBUIYOV-CHWSQXEVSA-N 1 1 338.408 0.197 20 5 ECBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC001165054550 722008588 /nfs/dbraw/zinc/00/85/88/722008588.db2.gz QKLKPEZJZZLKFS-UHFFFAOYSA-N 1 1 329.360 0.988 20 5 ECBDMO COc1ncnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164967088 722071785 /nfs/dbraw/zinc/07/17/85/722071785.db2.gz HQPSNAZMWJVOQM-TXEJJXNPSA-N 1 1 335.364 0.693 20 5 ECBDMO COc1ncnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164967088 722071787 /nfs/dbraw/zinc/07/17/87/722071787.db2.gz HQPSNAZMWJVOQM-TXEJJXNPSA-N 1 1 335.364 0.693 20 5 ECBDMO CCc1nc(C)c(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001025776071 739944923 /nfs/dbraw/zinc/94/49/23/739944923.db2.gz VYHBMOYILHLASD-OVKLUEDNSA-N 1 1 334.376 0.757 20 5 ECBDMO CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000997772228 743801762 /nfs/dbraw/zinc/80/17/62/743801762.db2.gz MMUNSMCMGSJTTD-ZIAGYGMSSA-N 1 1 336.396 0.291 20 5 ECBDMO CCn1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983655217 745002819 /nfs/dbraw/zinc/00/28/19/745002819.db2.gz RJKJNFBKMQDHHR-HKUMRIAESA-N 1 1 336.396 0.256 20 5 ECBDMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC001105460174 752024606 /nfs/dbraw/zinc/02/46/06/752024606.db2.gz SDJWGKKNLXCLTB-UHFFFAOYSA-N 1 1 339.400 0.203 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(CNC(=O)c2cocn2)CC1 ZINC001001238067 746197617 /nfs/dbraw/zinc/19/76/17/746197617.db2.gz MYDZLYWYFUGBFD-UHFFFAOYSA-N 1 1 348.363 0.958 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000985019177 747276187 /nfs/dbraw/zinc/27/61/87/747276187.db2.gz BXNSSUGWUHUISS-JOCQHMNTSA-N 1 1 344.375 0.940 20 5 ECBDMO O=C(Cc1nnc[nH]1)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001020903624 752314859 /nfs/dbraw/zinc/31/48/59/752314859.db2.gz BNHJTIRKLKHXHM-MGCOHNPYSA-N 1 1 336.377 0.754 20 5 ECBDMO Cc1nc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814484 757083612 /nfs/dbraw/zinc/08/36/12/757083612.db2.gz NWXBZKUBCHDBRO-XJFOESAGSA-N 1 1 334.376 0.847 20 5 ECBDMO Cc1nc(C)c(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814484 757083614 /nfs/dbraw/zinc/08/36/14/757083614.db2.gz NWXBZKUBCHDBRO-XJFOESAGSA-N 1 1 334.376 0.847 20 5 ECBDMO Cc1nc(C)c(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814484 757083622 /nfs/dbraw/zinc/08/36/22/757083622.db2.gz NWXBZKUBCHDBRO-XJFOESAGSA-N 1 1 334.376 0.847 20 5 ECBDMO Cn1nncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050325667 760130461 /nfs/dbraw/zinc/13/04/61/760130461.db2.gz KETNJQGUZBOGQB-HBJVGIJOSA-N 1 1 336.396 0.245 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)C(F)F)C[C@H]2C1 ZINC001048634981 760829783 /nfs/dbraw/zinc/82/97/83/760829783.db2.gz IYTBRTCVPNSCRR-DTORHVGOSA-N 1 1 329.307 0.484 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)C(F)F)C[C@H]2C1 ZINC001048634981 760829793 /nfs/dbraw/zinc/82/97/93/760829793.db2.gz IYTBRTCVPNSCRR-DTORHVGOSA-N 1 1 329.307 0.484 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(CO)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140041 772208278 /nfs/dbraw/zinc/20/82/78/772208278.db2.gz VSXFPMBWFNLSPU-RGCMKSIDSA-N 1 1 337.351 0.720 20 5 ECBDMO CCN(C(=O)CCC[NH+](C)C)C1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001080382805 777774515 /nfs/dbraw/zinc/77/45/15/777774515.db2.gz FBTSQFYURQCIHG-CHWSQXEVSA-N 1 1 326.397 0.053 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCn1cccn1)CC2 ZINC001040699196 783295011 /nfs/dbraw/zinc/29/50/11/783295011.db2.gz AEKLARUJACHSNB-HUUCEWRRSA-N 1 1 347.419 0.863 20 5 ECBDMO Cc1noc(C)c1C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072725438 788651783 /nfs/dbraw/zinc/65/17/83/788651783.db2.gz MPGGTAUTWGTLIF-TZMCWYRMSA-N 1 1 334.376 0.991 20 5 ECBDMO Cc1noc(C)c1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725438 788651787 /nfs/dbraw/zinc/65/17/87/788651787.db2.gz MPGGTAUTWGTLIF-TZMCWYRMSA-N 1 1 334.376 0.991 20 5 ECBDMO Cc1noc(C)c1C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C2)C1 ZINC001072725438 788651788 /nfs/dbraw/zinc/65/17/88/788651788.db2.gz MPGGTAUTWGTLIF-TZMCWYRMSA-N 1 1 334.376 0.991 20 5 ECBDMO CN(CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001067389676 793076790 /nfs/dbraw/zinc/07/67/90/793076790.db2.gz JXJDTMACKGCCNX-CHWSQXEVSA-N 1 1 340.424 0.443 20 5 ECBDMO Cn1ncc(C(=O)NCC[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1N ZINC001266270170 835590201 /nfs/dbraw/zinc/59/02/01/835590201.db2.gz LQFQRKLYJXCKDT-UHFFFAOYSA-N 1 1 332.364 0.772 20 5 ECBDMO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)c1N ZINC001266270170 835590208 /nfs/dbraw/zinc/59/02/08/835590208.db2.gz LQFQRKLYJXCKDT-UHFFFAOYSA-N 1 1 332.364 0.772 20 5 ECBDMO CN(CC[NH2+]Cc1cc(CO)ccc1F)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696785 836159985 /nfs/dbraw/zinc/15/99/85/836159985.db2.gz RMTMEIXKCFIJDS-TZMCWYRMSA-N 1 1 325.340 0.531 20 5 ECBDMO CCOC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000355051318 299190157 /nfs/dbraw/zinc/19/01/57/299190157.db2.gz NCMOSGCZAOUWKP-ABAIWWIYSA-N 1 1 338.364 0.790 20 5 ECBDMO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1CCO ZINC000187672743 236273868 /nfs/dbraw/zinc/27/38/68/236273868.db2.gz SFVGOSHPWHQQCJ-CYBMUJFWSA-N 1 1 348.403 0.482 20 5 ECBDMO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+]1CCO ZINC000187672743 236273870 /nfs/dbraw/zinc/27/38/70/236273870.db2.gz SFVGOSHPWHQQCJ-CYBMUJFWSA-N 1 1 348.403 0.482 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552783 299271845 /nfs/dbraw/zinc/27/18/45/299271845.db2.gz KIMUINOCXNPABD-NEPJUHHUSA-N 1 1 339.396 0.691 20 5 ECBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000355552783 299271847 /nfs/dbraw/zinc/27/18/47/299271847.db2.gz KIMUINOCXNPABD-NEPJUHHUSA-N 1 1 339.396 0.691 20 5 ECBDMO C[C@H](O)C[NH+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000189710901 237168641 /nfs/dbraw/zinc/16/86/41/237168641.db2.gz IKFGJIGKWYTBDO-JTQLQIEISA-N 1 1 333.348 0.610 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246869112 243328944 /nfs/dbraw/zinc/32/89/44/243328944.db2.gz VXEWMHFXWXYVBO-UWVGGRQHSA-N 1 1 325.369 0.164 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000246869112 243328952 /nfs/dbraw/zinc/32/89/52/243328952.db2.gz VXEWMHFXWXYVBO-UWVGGRQHSA-N 1 1 325.369 0.164 20 5 ECBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H](C)[NH+]1CCOCC1 ZINC000264205329 246182338 /nfs/dbraw/zinc/18/23/38/246182338.db2.gz FCSCHFGDAKQYPL-VXGBXAGGSA-N 1 1 325.369 0.407 20 5 ECBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491494 248329355 /nfs/dbraw/zinc/32/93/55/248329355.db2.gz VMTZWSQCZKUXIO-YPMHNXCESA-N 1 1 341.368 0.363 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000445900145 211124478 /nfs/dbraw/zinc/12/44/78/211124478.db2.gz YMSFOCSDJJACOV-INIZCTEOSA-N 1 1 347.419 0.908 20 5 ECBDMO CN(C)C(=O)CC[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000268704837 252156395 /nfs/dbraw/zinc/15/63/95/252156395.db2.gz VTOQYSMSVYGQAK-UHFFFAOYSA-N 1 1 340.405 0.892 20 5 ECBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000411956205 208180130 /nfs/dbraw/zinc/18/01/30/208180130.db2.gz RCKLCJPIZQFQLG-OLZOCXBDSA-N 1 1 337.376 0.745 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154328245 224238238 /nfs/dbraw/zinc/23/82/38/224238238.db2.gz OPKVIDSBBWXLES-AAEUAGOBSA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154328245 224238240 /nfs/dbraw/zinc/23/82/40/224238240.db2.gz OPKVIDSBBWXLES-AAEUAGOBSA-N 1 1 329.378 0.252 20 5 ECBDMO CS(=O)(=O)NCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174243084 533396884 /nfs/dbraw/zinc/39/68/84/533396884.db2.gz ROIBICZZBANGRN-UHFFFAOYSA-N 1 1 343.405 0.987 20 5 ECBDMO CC(C)C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCOCC1 ZINC000077678974 296621922 /nfs/dbraw/zinc/62/19/22/296621922.db2.gz XWYKUSXJDOLTFM-GFCCVEGCSA-N 1 1 340.384 0.049 20 5 ECBDMO CC(C)[NH+]1CC(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C1 ZINC000297136053 296821786 /nfs/dbraw/zinc/82/17/86/296821786.db2.gz QHIWXSHPTXMTJK-UHFFFAOYSA-N 1 1 346.343 0.400 20 5 ECBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000247127362 165153444 /nfs/dbraw/zinc/15/34/44/165153444.db2.gz NHYIYPOUDXUZQO-JSGCOSHPSA-N 1 1 334.376 0.699 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000248888043 165189213 /nfs/dbraw/zinc/18/92/13/165189213.db2.gz RIALZZBCICBCKI-OAHLLOKOSA-N 1 1 346.391 0.760 20 5 ECBDMO C[NH2+][C@@H](C(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1cnn(C)c1 ZINC000262023085 165278375 /nfs/dbraw/zinc/27/83/75/165278375.db2.gz DBGJKYJQGPHHNX-CQSZACIVSA-N 1 1 332.364 0.817 20 5 ECBDMO COC(=O)[C@]1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000282838186 264064848 /nfs/dbraw/zinc/06/48/48/264064848.db2.gz SPOJJLLOMTUOJL-MPKXVKKWSA-N 1 1 326.353 0.283 20 5 ECBDMO C[N@@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285156431 264284973 /nfs/dbraw/zinc/28/49/73/264284973.db2.gz SXQNGHAWJXCJAE-ZIAGYGMSSA-N 1 1 341.389 0.688 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000285156431 264284974 /nfs/dbraw/zinc/28/49/74/264284974.db2.gz SXQNGHAWJXCJAE-ZIAGYGMSSA-N 1 1 341.389 0.688 20 5 ECBDMO Cc1[nH+]ccn1CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297337806 265139165 /nfs/dbraw/zinc/13/91/65/265139165.db2.gz JTXPIINEYYLGCO-UHFFFAOYSA-N 1 1 330.348 0.844 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000457122149 276391471 /nfs/dbraw/zinc/39/14/71/276391471.db2.gz LUSDTNPXHGPMGZ-AWEZNQCLSA-N 1 1 349.391 0.359 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000457122149 276391473 /nfs/dbraw/zinc/39/14/73/276391473.db2.gz LUSDTNPXHGPMGZ-AWEZNQCLSA-N 1 1 349.391 0.359 20 5 ECBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1O ZINC000330715310 437597860 /nfs/dbraw/zinc/59/78/60/437597860.db2.gz SNCFVPFQHBSALB-MJBXVCDLSA-N 1 1 326.397 0.881 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000189561035 437604986 /nfs/dbraw/zinc/60/49/86/437604986.db2.gz HBQWRIDLQGYGNM-QWHCGFSZSA-N 1 1 336.392 0.920 20 5 ECBDMO CC[NH+]1CCN(C(=O)[C@@H](C)N2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000332648359 297062180 /nfs/dbraw/zinc/06/21/80/297062180.db2.gz YPGPUYZQBMYCGS-CYBMUJFWSA-N 1 1 347.419 0.901 20 5 ECBDMO CCN1CC[NH+](C[C@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000345402142 298151822 /nfs/dbraw/zinc/15/18/22/298151822.db2.gz HTVTWPPGXUSABQ-GFCCVEGCSA-N 1 1 338.412 0.332 20 5 ECBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000353412089 299046406 /nfs/dbraw/zinc/04/64/06/299046406.db2.gz ZSZFPGSDTKJQHU-MRXNPFEDSA-N 1 1 345.359 0.685 20 5 ECBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCOC2)O1 ZINC000361522216 300104536 /nfs/dbraw/zinc/10/45/36/300104536.db2.gz AGAVLEGTFMXSEL-HIFRSBDPSA-N 1 1 340.380 0.422 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@]2(CCCOC2)O1 ZINC000361648378 300112959 /nfs/dbraw/zinc/11/29/59/300112959.db2.gz QOIUSRDUCIDEHO-YUELXQCFSA-N 1 1 340.380 0.422 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362607200 300203244 /nfs/dbraw/zinc/20/32/44/300203244.db2.gz UDFOCTGQSQKPGI-LSDHHAIUSA-N 1 1 340.380 0.280 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@@H](COCC3CC3)C2)c1 ZINC000362607200 300203247 /nfs/dbraw/zinc/20/32/47/300203247.db2.gz UDFOCTGQSQKPGI-LSDHHAIUSA-N 1 1 340.380 0.280 20 5 ECBDMO Cn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(=O)n(C)c1=O ZINC000364338262 300346957 /nfs/dbraw/zinc/34/69/57/300346957.db2.gz PGVUSJUPPJMPBK-LBPRGKRZSA-N 1 1 348.363 0.026 20 5 ECBDMO Cc1nn(C)c(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000365958112 300500665 /nfs/dbraw/zinc/50/06/65/300500665.db2.gz GEROWVSEYFGUBP-LLVKDONJSA-N 1 1 339.421 0.900 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090564487 436432337 /nfs/dbraw/zinc/43/23/37/436432337.db2.gz PSILRMMRSNAUES-UHFFFAOYSA-N 1 1 332.364 0.312 20 5 ECBDMO C[N@H+]1CCC[C@@H](CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000091482883 436451240 /nfs/dbraw/zinc/45/12/40/436451240.db2.gz FVHVBDMLPJEDRK-JTQLQIEISA-N 1 1 328.394 0.996 20 5 ECBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000106397642 436593931 /nfs/dbraw/zinc/59/39/31/436593931.db2.gz JDFMOQGZBWFRKI-CYBMUJFWSA-N 1 1 339.396 0.442 20 5 ECBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000060411002 436633075 /nfs/dbraw/zinc/63/30/75/436633075.db2.gz JIPWSZBQJGEBRZ-AAEUAGOBSA-N 1 1 334.376 0.924 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000551970554 302376472 /nfs/dbraw/zinc/37/64/72/302376472.db2.gz LAMXQDDRBNUTBI-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO COCCC[N@@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000152520816 436732564 /nfs/dbraw/zinc/73/25/64/436732564.db2.gz NRRCAPHJVZDJAP-UHFFFAOYSA-N 1 1 327.385 0.611 20 5 ECBDMO O=C(C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000273192023 436736495 /nfs/dbraw/zinc/73/64/95/436736495.db2.gz QAHGBIIHSXUAJR-UHFFFAOYSA-N 1 1 334.380 0.519 20 5 ECBDMO O=C(C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cn2)CC1)N1CCCC1 ZINC000273192023 436736497 /nfs/dbraw/zinc/73/64/97/436736497.db2.gz QAHGBIIHSXUAJR-UHFFFAOYSA-N 1 1 334.380 0.519 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000068178627 436736715 /nfs/dbraw/zinc/73/67/15/436736715.db2.gz RXPXCSUVBNIRCL-ZDUSSCGKSA-N 1 1 339.396 0.573 20 5 ECBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000248916634 436813757 /nfs/dbraw/zinc/81/37/57/436813757.db2.gz JXKDLUGQYMYYOG-VXGBXAGGSA-N 1 1 337.376 0.548 20 5 ECBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](C)CO ZINC000248916634 436813759 /nfs/dbraw/zinc/81/37/59/436813759.db2.gz JXKDLUGQYMYYOG-VXGBXAGGSA-N 1 1 337.376 0.548 20 5 ECBDMO COC(=O)CN1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154605388 436782187 /nfs/dbraw/zinc/78/21/87/436782187.db2.gz PFZCQMLGPUAPSI-HNNXBMFYSA-N 1 1 337.376 0.809 20 5 ECBDMO C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273964857 436789855 /nfs/dbraw/zinc/78/98/55/436789855.db2.gz GXDYIDUEWDTPMI-QMTHXVAHSA-N 1 1 333.348 0.979 20 5 ECBDMO CNS(=O)(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000280721092 436916827 /nfs/dbraw/zinc/91/68/27/436916827.db2.gz CBZIDLXJJRZABQ-UHFFFAOYSA-N 1 1 328.394 0.613 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC3(CCOCC3)C2)c1 ZINC000135602576 436921121 /nfs/dbraw/zinc/92/11/21/436921121.db2.gz RRKMXVRWKKJYTQ-CYBMUJFWSA-N 1 1 326.353 0.034 20 5 ECBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1C[N@H+](C)CCO1 ZINC000134988308 436909200 /nfs/dbraw/zinc/90/92/00/436909200.db2.gz UBIMOBDTVDFQET-QPUJVOFHSA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[C@H]1C[N@@H+](C)CCO1 ZINC000134988308 436909204 /nfs/dbraw/zinc/90/92/04/436909204.db2.gz UBIMOBDTVDFQET-QPUJVOFHSA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275482493 436975378 /nfs/dbraw/zinc/97/53/78/436975378.db2.gz UQWYBGTZMZGPOZ-SNVBAGLBSA-N 1 1 338.364 0.613 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000275245482 436946195 /nfs/dbraw/zinc/94/61/95/436946195.db2.gz MCBOMMZPHPKZSD-UHFFFAOYSA-N 1 1 336.348 0.706 20 5 ECBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1(C)C ZINC000281662200 436988048 /nfs/dbraw/zinc/98/80/48/436988048.db2.gz CJUFEGQRHFUVRW-UHFFFAOYSA-N 1 1 335.408 0.933 20 5 ECBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296350367 436990331 /nfs/dbraw/zinc/99/03/31/436990331.db2.gz DVAZFLCLHFAMJN-CYBMUJFWSA-N 1 1 336.392 0.970 20 5 ECBDMO CNC(=O)CC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000263908848 437000753 /nfs/dbraw/zinc/00/07/53/437000753.db2.gz JFAVWGWCNFNCBX-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO Cc1sc(C(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000172199675 437003182 /nfs/dbraw/zinc/00/31/82/437003182.db2.gz NOSRECULQCRZPN-UHFFFAOYSA-N 1 1 340.405 0.859 20 5 ECBDMO NS(=O)(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000264835874 437091830 /nfs/dbraw/zinc/09/18/30/437091830.db2.gz VMDVXYMEJOKHPU-UHFFFAOYSA-N 1 1 346.434 0.703 20 5 ECBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1 ZINC000331475065 437102298 /nfs/dbraw/zinc/10/22/98/437102298.db2.gz PINSKVZNIDQHSY-YUTCNCBUSA-N 1 1 337.380 0.143 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3nccs3)CC2)c1 ZINC000304387303 437160028 /nfs/dbraw/zinc/16/00/28/437160028.db2.gz ZZQURKAJAJFFMI-LBPRGKRZSA-N 1 1 338.393 0.431 20 5 ECBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418316 437160124 /nfs/dbraw/zinc/16/01/24/437160124.db2.gz FDQLSYRCZUQGMC-CFVMTHIKSA-N 1 1 325.413 0.814 20 5 ECBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000304418316 437160127 /nfs/dbraw/zinc/16/01/27/437160127.db2.gz FDQLSYRCZUQGMC-CFVMTHIKSA-N 1 1 325.413 0.814 20 5 ECBDMO C[C@@H]1C[N@H+](C2CCN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC2)CCO1 ZINC000301074262 437113038 /nfs/dbraw/zinc/11/30/38/437113038.db2.gz HWROCFUDPYJTNB-LLVKDONJSA-N 1 1 349.391 0.778 20 5 ECBDMO Cc1nc(CN2CCC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2)no1 ZINC000176233150 437135169 /nfs/dbraw/zinc/13/51/69/437135169.db2.gz CFTHFWCXDFHZTO-UHFFFAOYSA-N 1 1 335.368 0.691 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302086491 437139800 /nfs/dbraw/zinc/13/98/00/437139800.db2.gz KTSQSASEAKAQIH-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO COCCC[N@@H+](C)CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000266175632 437220919 /nfs/dbraw/zinc/22/09/19/437220919.db2.gz WEHQHSVMEREEEY-UHFFFAOYSA-N 1 1 341.412 0.883 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182244504 437343784 /nfs/dbraw/zinc/34/37/84/437343784.db2.gz JRBCPWASNAWQBU-LBPRGKRZSA-N 1 1 325.365 0.793 20 5 ECBDMO CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182041035 437334628 /nfs/dbraw/zinc/33/46/28/437334628.db2.gz JMKXTMLSPSSMJO-LLVKDONJSA-N 1 1 325.365 0.920 20 5 ECBDMO CO[C@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000289449152 437411008 /nfs/dbraw/zinc/41/10/08/437411008.db2.gz ADWDQCGXAKAENH-STQMWFEESA-N 1 1 330.362 0.372 20 5 ECBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000268471944 437421172 /nfs/dbraw/zinc/42/11/72/437421172.db2.gz QCMHCOCBIZRCTI-MFKMUULPSA-N 1 1 336.348 0.498 20 5 ECBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C(N)=O)O1 ZINC000268471944 437421176 /nfs/dbraw/zinc/42/11/76/437421176.db2.gz QCMHCOCBIZRCTI-MFKMUULPSA-N 1 1 336.348 0.498 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330460437 437516944 /nfs/dbraw/zinc/51/69/44/437516944.db2.gz VOQQQYZQWLBKNR-MNOVXSKESA-N 1 1 345.425 0.914 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190818490 437639653 /nfs/dbraw/zinc/63/96/53/437639653.db2.gz FJMAVEUQEPMOEQ-RYUDHWBXSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190818490 437639657 /nfs/dbraw/zinc/63/96/57/437639657.db2.gz FJMAVEUQEPMOEQ-RYUDHWBXSA-N 1 1 325.365 0.905 20 5 ECBDMO Cc1c(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000355128971 437673189 /nfs/dbraw/zinc/67/31/89/437673189.db2.gz IFJSZZOBAIYFMF-CYBMUJFWSA-N 1 1 346.387 0.872 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192916735 437697076 /nfs/dbraw/zinc/69/70/76/437697076.db2.gz UOPRONIKELWZFL-PHIMTYICSA-N 1 1 341.389 0.786 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000340987227 437770358 /nfs/dbraw/zinc/77/03/58/437770358.db2.gz OQTAOZGORKSHMT-ZDUSSCGKSA-N 1 1 332.360 0.890 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000340987227 437770363 /nfs/dbraw/zinc/77/03/63/437770363.db2.gz OQTAOZGORKSHMT-ZDUSSCGKSA-N 1 1 332.360 0.890 20 5 ECBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[NH+]1CCN(C)CC1 ZINC000356140218 437751076 /nfs/dbraw/zinc/75/10/76/437751076.db2.gz GVSJZOWPODKMJC-ZDUSSCGKSA-N 1 1 338.412 0.330 20 5 ECBDMO CNc1nc(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416317259 437917834 /nfs/dbraw/zinc/91/78/34/437917834.db2.gz WSFZVAPEASBPLU-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000416317259 437917839 /nfs/dbraw/zinc/91/78/39/437917839.db2.gz WSFZVAPEASBPLU-QWRGUYRKSA-N 1 1 337.380 0.559 20 5 ECBDMO CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000347677105 437930046 /nfs/dbraw/zinc/93/00/46/437930046.db2.gz YFIWXQMMKGYAJT-GFCCVEGCSA-N 1 1 338.412 0.330 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416296613 437909911 /nfs/dbraw/zinc/90/99/11/437909911.db2.gz OHEDDPLOWMPDDL-RYUDHWBXSA-N 1 1 339.396 0.403 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365635550 437944277 /nfs/dbraw/zinc/94/42/77/437944277.db2.gz HBBLLCSMWUJGHS-DMRZNYOFSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365635550 437944285 /nfs/dbraw/zinc/94/42/85/437944285.db2.gz HBBLLCSMWUJGHS-DMRZNYOFSA-N 1 1 335.408 0.568 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365635550 437944287 /nfs/dbraw/zinc/94/42/87/437944287.db2.gz HBBLLCSMWUJGHS-DMRZNYOFSA-N 1 1 335.408 0.568 20 5 ECBDMO COC[C@@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCC[NH2+]1 ZINC000357268136 437951213 /nfs/dbraw/zinc/95/12/13/437951213.db2.gz KGWYBPHXHKZXDR-HNNXBMFYSA-N 1 1 333.348 0.970 20 5 ECBDMO CC(C)OC[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166597 438041796 /nfs/dbraw/zinc/04/17/96/438041796.db2.gz JEWSLLPOQVTIIZ-ZIAGYGMSSA-N 1 1 328.369 0.278 20 5 ECBDMO CC(C)OC[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000372166597 438041804 /nfs/dbraw/zinc/04/18/04/438041804.db2.gz JEWSLLPOQVTIIZ-ZIAGYGMSSA-N 1 1 328.369 0.278 20 5 ECBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000424989942 438004743 /nfs/dbraw/zinc/00/47/43/438004743.db2.gz JTIQSCSQBRUEPZ-UHFFFAOYSA-N 1 1 325.369 0.511 20 5 ECBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368068603 438283441 /nfs/dbraw/zinc/28/34/41/438283441.db2.gz BGSJNUGYTJXBAY-UHIISALHSA-N 1 1 332.360 0.990 20 5 ECBDMO O=C1NC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]12 ZINC000377654444 438319759 /nfs/dbraw/zinc/31/97/59/438319759.db2.gz OIJYCEWNXZVPDJ-KCPJHIHWSA-N 1 1 344.371 0.768 20 5 ECBDMO O=C1NC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]12 ZINC000377654444 438319760 /nfs/dbraw/zinc/31/97/60/438319760.db2.gz OIJYCEWNXZVPDJ-KCPJHIHWSA-N 1 1 344.371 0.768 20 5 ECBDMO CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406793 438327703 /nfs/dbraw/zinc/32/77/03/438327703.db2.gz HMFRNGNUWJWLCP-OCCSQVGLSA-N 1 1 337.380 0.676 20 5 ECBDMO CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000368406793 438327708 /nfs/dbraw/zinc/32/77/08/438327708.db2.gz HMFRNGNUWJWLCP-OCCSQVGLSA-N 1 1 337.380 0.676 20 5 ECBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351642913 438309169 /nfs/dbraw/zinc/30/91/69/438309169.db2.gz HDTLKGSIIMKZRT-VFZGTOFNSA-N 1 1 347.331 0.628 20 5 ECBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000351642913 438309173 /nfs/dbraw/zinc/30/91/73/438309173.db2.gz HDTLKGSIIMKZRT-VFZGTOFNSA-N 1 1 347.331 0.628 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3cccc(S(N)(=O)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000368294193 438310872 /nfs/dbraw/zinc/31/08/72/438310872.db2.gz OYHKLSWCQRDOIO-ZYHUDNBSSA-N 1 1 340.405 0.773 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000378314705 438375193 /nfs/dbraw/zinc/37/51/93/438375193.db2.gz LDJZKJYBCUGFER-WOPDTQHZSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314705 438375199 /nfs/dbraw/zinc/37/51/99/438375199.db2.gz LDJZKJYBCUGFER-WOPDTQHZSA-N 1 1 337.380 0.937 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000378314705 438375203 /nfs/dbraw/zinc/37/52/03/438375203.db2.gz LDJZKJYBCUGFER-WOPDTQHZSA-N 1 1 337.380 0.937 20 5 ECBDMO O=C(CC[N@H+]1CCN2CCOC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000368816824 438382596 /nfs/dbraw/zinc/38/25/96/438382596.db2.gz LCEWARPIRQNSKC-CYBMUJFWSA-N 1 1 334.376 0.940 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCOCC2)O1 ZINC000369130430 438428260 /nfs/dbraw/zinc/42/82/60/438428260.db2.gz NSHXFLGTLMIRPW-TZMCWYRMSA-N 1 1 340.380 0.422 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000369782038 438513347 /nfs/dbraw/zinc/51/33/47/438513347.db2.gz KZFPAZDMCSBARE-HIFRSBDPSA-N 1 1 334.380 0.903 20 5 ECBDMO COC(=O)COc1ccc(C[NH2+]CCc2nc[nH]n2)cc1[N+](=O)[O-] ZINC000353774106 438534499 /nfs/dbraw/zinc/53/44/99/438534499.db2.gz YICKCMYLCXUOSC-UHFFFAOYSA-N 1 1 335.320 0.597 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000454623793 438723029 /nfs/dbraw/zinc/72/30/29/438723029.db2.gz CWXZTYNHSJGUKS-CYBMUJFWSA-N 1 1 348.407 0.916 20 5 ECBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCN1C ZINC000414974396 438724842 /nfs/dbraw/zinc/72/48/42/438724842.db2.gz KFFXETRAQNOCMB-SWLSCSKDSA-N 1 1 335.408 0.805 20 5 ECBDMO CNc1nc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000456030472 438756964 /nfs/dbraw/zinc/75/69/64/438756964.db2.gz KZVYKFBRZNPNGR-NSHDSACASA-N 1 1 337.380 0.608 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)[N@H+]1CCO ZINC000456216042 438762516 /nfs/dbraw/zinc/76/25/16/438762516.db2.gz URXWXOQUDWAWRD-AOOOYVTPSA-N 1 1 340.355 0.843 20 5 ECBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@H](C)[N@@H+]1CCO ZINC000456216042 438762519 /nfs/dbraw/zinc/76/25/19/438762519.db2.gz URXWXOQUDWAWRD-AOOOYVTPSA-N 1 1 340.355 0.843 20 5 ECBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588860513 438844460 /nfs/dbraw/zinc/84/44/60/438844460.db2.gz GQLATMNAEPZCRC-UONOGXRCSA-N 1 1 335.360 0.641 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nnnn2CC2CC2)c1 ZINC000577503376 438849392 /nfs/dbraw/zinc/84/93/92/438849392.db2.gz ZOFWTXPTLPZKKN-CYBMUJFWSA-N 1 1 348.363 0.521 20 5 ECBDMO COc1ccc(NC(=O)C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590279219 438905722 /nfs/dbraw/zinc/90/57/22/438905722.db2.gz ANJXTRRGJPZLPF-GWCFXTLKSA-N 1 1 348.359 0.704 20 5 ECBDMO CC(C)c1n[nH]c(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)c1[N+](=O)[O-] ZINC000590355365 438912800 /nfs/dbraw/zinc/91/28/00/438912800.db2.gz SRVNWWFZHTUDCG-NSHDSACASA-N 1 1 336.396 0.561 20 5 ECBDMO NC(=O)c1cc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ccc1[N+](=O)[O-] ZINC000596105753 438925838 /nfs/dbraw/zinc/92/58/38/438925838.db2.gz YFQXQMILGBYWGC-LLVKDONJSA-N 1 1 349.391 0.693 20 5 ECBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCNCC1 ZINC000591577154 439023999 /nfs/dbraw/zinc/02/39/99/439023999.db2.gz RBQNAMYFEDXKTN-GFCCVEGCSA-N 1 1 349.391 0.333 20 5 ECBDMO COCCCN1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000566910031 439098312 /nfs/dbraw/zinc/09/83/12/439098312.db2.gz YEZJSDNKXFKHQY-HNNXBMFYSA-N 1 1 341.412 0.243 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nnnn2C2CC2)c1 ZINC000591746476 439079656 /nfs/dbraw/zinc/07/96/56/439079656.db2.gz PMWUDYOKWQIDCS-GFCCVEGCSA-N 1 1 334.336 0.446 20 5 ECBDMO C[N@@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000602906056 439157516 /nfs/dbraw/zinc/15/75/16/439157516.db2.gz PODMVCKNEAHKHD-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](CO)C1 ZINC000602906056 439157522 /nfs/dbraw/zinc/15/75/22/439157522.db2.gz PODMVCKNEAHKHD-AWEZNQCLSA-N 1 1 334.376 0.092 20 5 ECBDMO COc1cccc(C(=O)N2CC(CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000597694506 439161064 /nfs/dbraw/zinc/16/10/64/439161064.db2.gz KNMKNYDAUYUTPV-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000598509798 439270327 /nfs/dbraw/zinc/27/03/27/439270327.db2.gz MTNDPGWNYOXQIM-ZDUSSCGKSA-N 1 1 330.348 0.577 20 5 ECBDMO C[N@H+]1CC[C@H](CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598895293 439322649 /nfs/dbraw/zinc/32/26/49/439322649.db2.gz YIFQTFDVQJLZPH-LLVKDONJSA-N 1 1 335.364 0.784 20 5 ECBDMO CN(CC(=O)N1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000604060340 439296992 /nfs/dbraw/zinc/29/69/92/439296992.db2.gz YZKZXVHUOMKDBJ-UHFFFAOYSA-N 1 1 338.339 0.580 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000599106939 439360452 /nfs/dbraw/zinc/36/04/52/439360452.db2.gz IUWQUFDJASKXHT-MGCOHNPYSA-N 1 1 331.398 0.372 20 5 ECBDMO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599129522 439366082 /nfs/dbraw/zinc/36/60/82/439366082.db2.gz CJFCRGJBTAZRFJ-OAHLLOKOSA-N 1 1 337.380 0.600 20 5 ECBDMO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1ccc(N)c([N+](=O)[O-])n1 ZINC000599129522 439366087 /nfs/dbraw/zinc/36/60/87/439366087.db2.gz CJFCRGJBTAZRFJ-OAHLLOKOSA-N 1 1 337.380 0.600 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1 ZINC000599263816 439407092 /nfs/dbraw/zinc/40/70/92/439407092.db2.gz RTIUCWKJGGJTSC-WDEREUQCSA-N 1 1 343.409 0.433 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000599274375 439411993 /nfs/dbraw/zinc/41/19/93/439411993.db2.gz RIDMZRUPEOQESC-UWVGGRQHSA-N 1 1 329.382 0.043 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)n1 ZINC000599274375 439411996 /nfs/dbraw/zinc/41/19/96/439411996.db2.gz RIDMZRUPEOQESC-UWVGGRQHSA-N 1 1 329.382 0.043 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)n1 ZINC000570800695 439451589 /nfs/dbraw/zinc/45/15/89/439451589.db2.gz XWKHOPMAATZCJT-LBPRGKRZSA-N 1 1 330.348 0.993 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027055 439509236 /nfs/dbraw/zinc/50/92/36/439509236.db2.gz LARFDEZFINTTIA-FRRDWIJNSA-N 1 1 334.376 0.673 20 5 ECBDMO O=c1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n[nH]1 ZINC000599642928 439524015 /nfs/dbraw/zinc/52/40/15/439524015.db2.gz XOKDVTUEFMWCAB-YPMHNXCESA-N 1 1 334.336 0.485 20 5 ECBDMO COc1cc(C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000594387540 439552112 /nfs/dbraw/zinc/55/21/12/439552112.db2.gz SKDQLAKAXIOVAD-VHSXEESVSA-N 1 1 339.323 0.634 20 5 ECBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591759 439580323 /nfs/dbraw/zinc/58/03/23/439580323.db2.gz JMTSHDUKCJMSEA-GARJFASQSA-N 1 1 337.380 0.998 20 5 ECBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594591759 439580327 /nfs/dbraw/zinc/58/03/27/439580327.db2.gz JMTSHDUKCJMSEA-GARJFASQSA-N 1 1 337.380 0.998 20 5 ECBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594748977 439601166 /nfs/dbraw/zinc/60/11/66/439601166.db2.gz QTUDIDAPWBXTSR-MNOVXSKESA-N 1 1 326.378 0.895 20 5 ECBDMO CN(C)CCN(CC[NH+](C)C)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760238 439604069 /nfs/dbraw/zinc/60/40/69/439604069.db2.gz PAEUHVPQUNPNJD-UHFFFAOYSA-N 1 1 345.425 0.104 20 5 ECBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263877 439607216 /nfs/dbraw/zinc/60/72/16/439607216.db2.gz KMFVLGGCYALQOZ-LLVKDONJSA-N 1 1 326.378 0.847 20 5 ECBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263877 439607217 /nfs/dbraw/zinc/60/72/17/439607217.db2.gz KMFVLGGCYALQOZ-LLVKDONJSA-N 1 1 326.378 0.847 20 5 ECBDMO CCn1cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000611106890 439672866 /nfs/dbraw/zinc/67/28/66/439672866.db2.gz XDDVBNWNQLJYGT-ONGXEEELSA-N 1 1 343.409 0.572 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000574713906 439723811 /nfs/dbraw/zinc/72/38/11/439723811.db2.gz RTNSLIBQMNOVKH-JTQLQIEISA-N 1 1 347.368 0.733 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000574713906 439723813 /nfs/dbraw/zinc/72/38/13/439723813.db2.gz RTNSLIBQMNOVKH-JTQLQIEISA-N 1 1 347.368 0.733 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600526477 439675301 /nfs/dbraw/zinc/67/53/01/439675301.db2.gz JRUJHFXOFQQRSL-SNVBAGLBSA-N 1 1 337.332 0.162 20 5 ECBDMO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000127721042 320510794 /nfs/dbraw/zinc/51/07/94/320510794.db2.gz UJALDLBUUOUANM-UHFFFAOYSA-N 1 1 332.360 0.631 20 5 ECBDMO C[C@@](O)(CNc1cccc(C(N)=O)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000342379694 321087833 /nfs/dbraw/zinc/08/78/33/321087833.db2.gz NYOSZQQTLPRUMN-OAHLLOKOSA-N 1 1 338.364 0.189 20 5 ECBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H](C)C1 ZINC000346164744 321217137 /nfs/dbraw/zinc/21/71/37/321217137.db2.gz QAWIUHAFRMWNSM-KCQAQPDRSA-N 1 1 348.403 0.945 20 5 ECBDMO O=C1CC[C@@H]2C[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476893 321223205 /nfs/dbraw/zinc/22/32/05/321223205.db2.gz JLUMGQKGQJOKGH-KGLIPLIRSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476893 321223206 /nfs/dbraw/zinc/22/32/06/321223206.db2.gz JLUMGQKGQJOKGH-KGLIPLIRSA-N 1 1 335.360 0.641 20 5 ECBDMO CC[NH+]1CCN(C(=O)Cc2noc(-c3cc([N+](=O)[O-])cn3C)n2)CC1 ZINC000350717827 321327627 /nfs/dbraw/zinc/32/76/27/321327627.db2.gz BRGNHRWEOXESDR-UHFFFAOYSA-N 1 1 348.363 0.690 20 5 ECBDMO CNC(=O)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000564736324 322390962 /nfs/dbraw/zinc/39/09/62/322390962.db2.gz NXQXUIATLKRJEN-UHFFFAOYSA-N 1 1 334.376 0.879 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccccn2)CC1 ZINC000159737021 534320708 /nfs/dbraw/zinc/32/07/08/534320708.db2.gz QPGOTZANAZUZHZ-UHFFFAOYSA-N 1 1 329.360 0.974 20 5 ECBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000186621033 534331927 /nfs/dbraw/zinc/33/19/27/534331927.db2.gz HWTZOGQYIOHKKA-AWEZNQCLSA-N 1 1 346.387 0.940 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000755229114 579431006 /nfs/dbraw/zinc/43/10/06/579431006.db2.gz FTEHERDXSUWXPL-TXEJJXNPSA-N 1 1 339.396 0.715 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737008968 578473265 /nfs/dbraw/zinc/47/32/65/578473265.db2.gz XIPBYZXNYWEGIR-SNVBAGLBSA-N 1 1 348.367 0.693 20 5 ECBDMO C[C@]1(C(N)=O)CC[N@@H+](CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000794706862 578598407 /nfs/dbraw/zinc/59/84/07/578598407.db2.gz WUXZRNNOZCZGQB-INIZCTEOSA-N 1 1 347.375 0.992 20 5 ECBDMO COC(=O)[C@H]1[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794982306 578602522 /nfs/dbraw/zinc/60/25/22/578602522.db2.gz IBMGMMBLUZALNM-RZFFKMDDSA-N 1 1 336.344 0.685 20 5 ECBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762554456 579544019 /nfs/dbraw/zinc/54/40/19/579544019.db2.gz HSWDNIDPOUBHLI-CYBMUJFWSA-N 1 1 347.368 0.387 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)C1 ZINC000762721806 579547006 /nfs/dbraw/zinc/54/70/06/579547006.db2.gz OCKRFVGCPMETNS-QGZVFWFLSA-N 1 1 348.403 0.991 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888997354 586059040 /nfs/dbraw/zinc/05/90/40/586059040.db2.gz AOHXPYINNDARHM-UHFFFAOYSA-N 1 1 349.435 0.980 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888997354 586059041 /nfs/dbraw/zinc/05/90/41/586059041.db2.gz AOHXPYINNDARHM-UHFFFAOYSA-N 1 1 349.435 0.980 20 5 ECBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](C)CC1 ZINC000888985467 586251310 /nfs/dbraw/zinc/25/13/10/586251310.db2.gz ZRPAUUBWHZILFA-UHFFFAOYSA-N 1 1 339.371 0.636 20 5 ECBDMO CN1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@@H+](C)CC1 ZINC000888985467 586251312 /nfs/dbraw/zinc/25/13/12/586251312.db2.gz ZRPAUUBWHZILFA-UHFFFAOYSA-N 1 1 339.371 0.636 20 5 ECBDMO C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896580173 586259428 /nfs/dbraw/zinc/25/94/28/586259428.db2.gz LFHMHYODUNSBBU-TZMCWYRMSA-N 1 1 336.392 0.724 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888993889 586352771 /nfs/dbraw/zinc/35/27/71/586352771.db2.gz KTRWOHJTXRIPAD-UHFFFAOYSA-N 1 1 338.412 0.196 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000817116956 587334028 /nfs/dbraw/zinc/33/40/28/587334028.db2.gz COCFCYCTYXMIJM-UHFFFAOYSA-N 1 1 330.348 0.754 20 5 ECBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825709177 587957195 /nfs/dbraw/zinc/95/71/95/587957195.db2.gz QOYGJRIQIAJXKP-GJZGRUSLSA-N 1 1 337.376 0.855 20 5 ECBDMO O=[N+]([O-])c1cc(CO)c(N2CC(C[NH+]3CCOCC3)C2)cc1F ZINC000865825112 590159814 /nfs/dbraw/zinc/15/98/14/590159814.db2.gz XBQMXDCCSJQCIV-UHFFFAOYSA-N 1 1 325.340 0.995 20 5 ECBDMO CN1C(=O)[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000879531811 590319388 /nfs/dbraw/zinc/31/93/88/590319388.db2.gz LVQDHMFGTWOAAW-OKILXGFUSA-N 1 1 333.344 0.910 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000880047708 590363671 /nfs/dbraw/zinc/36/36/71/590363671.db2.gz XFCWOJVHUWXEQH-QWRGUYRKSA-N 1 1 338.286 0.805 20 5 ECBDMO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000880613235 590411872 /nfs/dbraw/zinc/41/18/72/590411872.db2.gz QWJZHIZPJRINAD-CQSZACIVSA-N 1 1 336.392 0.945 20 5 ECBDMO C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000880613235 590411875 /nfs/dbraw/zinc/41/18/75/590411875.db2.gz QWJZHIZPJRINAD-CQSZACIVSA-N 1 1 336.392 0.945 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928095682 608675838 /nfs/dbraw/zinc/67/58/38/608675838.db2.gz VESJZGXPWFPLGT-WDEREUQCSA-N 1 1 339.421 0.946 20 5 ECBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928095682 608675840 /nfs/dbraw/zinc/67/58/40/608675840.db2.gz VESJZGXPWFPLGT-WDEREUQCSA-N 1 1 339.421 0.946 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)C1CCC1 ZINC000941008173 610490276 /nfs/dbraw/zinc/49/02/76/610490276.db2.gz ZDKNUNDDRHCMBG-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[N@H+](CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000941008173 610490279 /nfs/dbraw/zinc/49/02/79/610490279.db2.gz ZDKNUNDDRHCMBG-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO C[N@@H+](CC(=O)N1CCCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1)C1CCC1 ZINC000941008173 610490280 /nfs/dbraw/zinc/49/02/80/610490280.db2.gz ZDKNUNDDRHCMBG-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000954241360 612791198 /nfs/dbraw/zinc/79/11/98/612791198.db2.gz IPYAYFMUMWVHCB-ZIAGYGMSSA-N 1 1 338.408 0.197 20 5 ECBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001164686066 719715616 /nfs/dbraw/zinc/71/56/16/719715616.db2.gz WQZNCFINQKJXLB-UHFFFAOYSA-N 1 1 348.407 0.874 20 5 ECBDMO Cn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc([N+](=O)[O-])c4)C[C@H]32)nn1 ZINC001025766517 739932674 /nfs/dbraw/zinc/93/26/74/739932674.db2.gz QRABEUMKIHZQRZ-NHAGDIPZSA-N 1 1 342.359 0.584 20 5 ECBDMO O=C(CC[NH+]1CCCCC1)N1CC(CNC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001001805724 746736468 /nfs/dbraw/zinc/73/64/68/746736468.db2.gz RGTUZYLNZOJHFF-ZIAGYGMSSA-N 1 1 338.408 0.102 20 5 ECBDMO O=C(NCC[NH2+]Cc1cnn(Cc2ccccc2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC001126936457 756759908 /nfs/dbraw/zinc/75/99/08/756759908.db2.gz IZYNPMSRWANGIO-HZPDHXFCSA-N 1 1 343.387 0.802 20 5 ECBDMO CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC000996428883 757655047 /nfs/dbraw/zinc/65/50/47/757655047.db2.gz KPOIGSAOWPZHHZ-GHMZBOCLSA-N 1 1 339.421 0.846 20 5 ECBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000996429979 757658758 /nfs/dbraw/zinc/65/87/58/757658758.db2.gz XTTUHUCHHDBPSY-HZPDHXFCSA-N 1 1 347.419 0.965 20 5 ECBDMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049122499 758031989 /nfs/dbraw/zinc/03/19/89/758031989.db2.gz CPOIZAYWWVJATH-PHIMTYICSA-N 1 1 348.388 0.978 20 5 ECBDMO O=C(c1nc[nH]n1)N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001049122499 758032001 /nfs/dbraw/zinc/03/20/01/758032001.db2.gz CPOIZAYWWVJATH-PHIMTYICSA-N 1 1 348.388 0.978 20 5 ECBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ncccn2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325389 760129531 /nfs/dbraw/zinc/12/95/31/760129531.db2.gz BANHWRVEKSHBFG-AAVRWANBSA-N 1 1 333.392 0.906 20 5 ECBDMO CC(C)C[N@H+]1CCO[C@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000130841814 767127552 /nfs/dbraw/zinc/12/75/52/767127552.db2.gz QQSHPSYDKNDSKN-LBPRGKRZSA-N 1 1 326.353 0.691 20 5 ECBDMO Cc1c[nH+]cn1CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001055954845 770354502 /nfs/dbraw/zinc/35/45/02/770354502.db2.gz JKLIAHHWBFRLAI-UHFFFAOYSA-N 1 1 348.338 0.983 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001073014013 789275046 /nfs/dbraw/zinc/27/50/46/789275046.db2.gz DLSUBVRTDJTNMT-CHWSQXEVSA-N 1 1 340.424 0.489 20 5 ECBDMO CC(C)[N@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073014013 789275054 /nfs/dbraw/zinc/27/50/54/789275054.db2.gz DLSUBVRTDJTNMT-CHWSQXEVSA-N 1 1 340.424 0.489 20 5 ECBDMO CC(C)[N@@H+](C)CC(=O)NC1(C)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001073014013 789275060 /nfs/dbraw/zinc/27/50/60/789275060.db2.gz DLSUBVRTDJTNMT-CHWSQXEVSA-N 1 1 340.424 0.489 20 5 ECBDMO CN(CCCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-])C(=O)CCCC[NH+](C)C ZINC001067388409 793074787 /nfs/dbraw/zinc/07/47/87/793074787.db2.gz DBMGTPFBSAJVJO-ZIAGYGMSSA-N 1 1 342.440 0.690 20 5 ECBDMO Cn1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1N ZINC001266270149 835589728 /nfs/dbraw/zinc/58/97/28/835589728.db2.gz LBEACLHUOPIINA-UHFFFAOYSA-N 1 1 332.364 0.772 20 5 ECBDMO Cn1ncc(C(=O)NCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1N ZINC001266270149 835589732 /nfs/dbraw/zinc/58/97/32/835589732.db2.gz LBEACLHUOPIINA-UHFFFAOYSA-N 1 1 332.364 0.772 20 5 ECBDMO Cc1cccc(CNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]2CC2[N+](=O)[O-])c1 ZINC001267371691 837271871 /nfs/dbraw/zinc/27/18/71/837271871.db2.gz QYFLYZCOTMXTSF-HUUCEWRRSA-N 1 1 348.403 0.324 20 5 ECBDMO CNC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174693334 529937365 /nfs/dbraw/zinc/93/73/65/529937365.db2.gz GJYGYWPHCGRHNP-OAHLLOKOSA-N 1 1 347.375 0.644 20 5 ECBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181535761 234222417 /nfs/dbraw/zinc/22/24/17/234222417.db2.gz QLGXGRXTKNLHRX-JSGCOSHPSA-N 1 1 337.376 0.887 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])nc3C)[C@@H]2C1 ZINC000355345227 299241826 /nfs/dbraw/zinc/24/18/26/299241826.db2.gz MZWPJADGNPZICV-CHWSQXEVSA-N 1 1 337.380 0.421 20 5 ECBDMO CCOCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1CC ZINC000356234612 299368276 /nfs/dbraw/zinc/36/82/76/299368276.db2.gz YWVCIUWUGQQQTI-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CCOCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1CC ZINC000356234612 299368279 /nfs/dbraw/zinc/36/82/79/299368279.db2.gz YWVCIUWUGQQQTI-GFCCVEGCSA-N 1 1 339.396 0.901 20 5 ECBDMO CC[N@@H+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000111661369 220177114 /nfs/dbraw/zinc/17/71/14/220177114.db2.gz DSHGCCPDBLDWAV-NSHDSACASA-N 1 1 338.364 0.860 20 5 ECBDMO COCC[NH+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000264957266 247085863 /nfs/dbraw/zinc/08/58/63/247085863.db2.gz YYMWUHAYTXNIQO-UHFFFAOYSA-N 1 1 341.339 0.903 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450622536 211336222 /nfs/dbraw/zinc/33/62/22/211336222.db2.gz KDLHKIIUMKZGRR-MRXNPFEDSA-N 1 1 345.359 0.577 20 5 ECBDMO COCC[N@@H+](Cc1cncs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447833183 211211237 /nfs/dbraw/zinc/21/12/37/211211237.db2.gz NSPNYUOMDXRRDC-LBPRGKRZSA-N 1 1 341.393 0.757 20 5 ECBDMO COCC[N@H+](Cc1cncs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447833183 211211238 /nfs/dbraw/zinc/21/12/38/211211238.db2.gz NSPNYUOMDXRRDC-LBPRGKRZSA-N 1 1 341.393 0.757 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267835735 251393488 /nfs/dbraw/zinc/39/34/88/251393488.db2.gz SIHSFFDEQKGCID-ZDUSSCGKSA-N 1 1 347.375 0.941 20 5 ECBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000181415671 207698233 /nfs/dbraw/zinc/69/82/33/207698233.db2.gz JBASSKUNIRSTKY-CQSZACIVSA-N 1 1 330.348 0.818 20 5 ECBDMO COC[C@@H]1C[C@H](O)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000411914190 208169208 /nfs/dbraw/zinc/16/92/08/208169208.db2.gz STSSMLYGZWSPLB-AVGNSLFASA-N 1 1 326.349 0.416 20 5 ECBDMO CN(C)C(=O)[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000411950534 208177067 /nfs/dbraw/zinc/17/70/67/208177067.db2.gz WRJLERQURDSRFL-GXTWGEPZSA-N 1 1 337.376 0.745 20 5 ECBDMO Cc1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000414151851 208395786 /nfs/dbraw/zinc/39/57/86/208395786.db2.gz WRFICMRENYHWQZ-SCRDCRAPSA-N 1 1 325.365 0.535 20 5 ECBDMO Cc1cc([N+](=O)[O-])cn(C[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1=O ZINC000414151851 208395791 /nfs/dbraw/zinc/39/57/91/208395791.db2.gz WRFICMRENYHWQZ-SCRDCRAPSA-N 1 1 325.365 0.535 20 5 ECBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866097 221199024 /nfs/dbraw/zinc/19/90/24/221199024.db2.gz PBNIOVUJCLDSLO-LBPRGKRZSA-N 1 1 335.364 0.335 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000118866097 221199028 /nfs/dbraw/zinc/19/90/28/221199028.db2.gz PBNIOVUJCLDSLO-LBPRGKRZSA-N 1 1 335.364 0.335 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419341676 209064987 /nfs/dbraw/zinc/06/49/87/209064987.db2.gz OPGYTJUKOGLRTH-STQMWFEESA-N 1 1 336.392 0.920 20 5 ECBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450799932 292030454 /nfs/dbraw/zinc/03/04/54/292030454.db2.gz XZIHKMSIAFJWIY-PHIMTYICSA-N 1 1 338.364 0.668 20 5 ECBDMO COC(=O)c1cnc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450799932 292030456 /nfs/dbraw/zinc/03/04/56/292030456.db2.gz XZIHKMSIAFJWIY-PHIMTYICSA-N 1 1 338.364 0.668 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000186958599 533675727 /nfs/dbraw/zinc/67/57/27/533675727.db2.gz KFUXHHOKOCTISI-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000186958599 533675733 /nfs/dbraw/zinc/67/57/33/533675733.db2.gz KFUXHHOKOCTISI-QWHCGFSZSA-N 1 1 337.376 0.887 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451864056 286350310 /nfs/dbraw/zinc/35/03/10/286350310.db2.gz GQGKOMLQQMJDRL-GXFFZTMASA-N 1 1 341.389 0.928 20 5 ECBDMO C[NH+]1CCN(C(=O)CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255576626 296742774 /nfs/dbraw/zinc/74/27/74/296742774.db2.gz NOSVGVBVXUDVON-SREVYHEPSA-N 1 1 346.387 0.888 20 5 ECBDMO O=[N+]([O-])c1cnc2ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)nn21 ZINC000301840698 296891830 /nfs/dbraw/zinc/89/18/30/296891830.db2.gz BBEOQRSVSFNWBJ-GFCCVEGCSA-N 1 1 332.364 0.796 20 5 ECBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000122600847 222121022 /nfs/dbraw/zinc/12/10/22/222121022.db2.gz GLCIAVGDBHPFRK-TZMCWYRMSA-N 1 1 336.392 0.945 20 5 ECBDMO CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000027356134 263139983 /nfs/dbraw/zinc/13/99/83/263139983.db2.gz FXXPUEPFPQMTPU-UHFFFAOYSA-N 1 1 335.364 0.927 20 5 ECBDMO NC(=O)C[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000269659857 263194873 /nfs/dbraw/zinc/19/48/73/263194873.db2.gz WBHXWAPZTABEOD-ZDUSSCGKSA-N 1 1 336.348 0.167 20 5 ECBDMO CNC(=O)CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000269892186 263211214 /nfs/dbraw/zinc/21/12/14/263211214.db2.gz FCLQCQIFAGDZRA-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2c(F)cccc2F)c1 ZINC000273075632 263392639 /nfs/dbraw/zinc/39/26/39/263392639.db2.gz GHACMGSLXCYSSC-GXFFZTMASA-N 1 1 342.302 0.754 20 5 ECBDMO NS(=O)(=O)c1cc(NCC[N@H+]2CCCOCC2)cc([N+](=O)[O-])c1 ZINC000275397537 263596122 /nfs/dbraw/zinc/59/61/22/263596122.db2.gz DMSUQNIFXGZTMP-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000275711135 263638051 /nfs/dbraw/zinc/63/80/51/263638051.db2.gz UMKXFBOGOCLFDQ-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000275711135 263638054 /nfs/dbraw/zinc/63/80/54/263638054.db2.gz UMKXFBOGOCLFDQ-LBPRGKRZSA-N 1 1 343.405 0.902 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284965523 264263609 /nfs/dbraw/zinc/26/36/09/264263609.db2.gz WSEWLLSSSBRMHG-LSDHHAIUSA-N 1 1 334.376 0.599 20 5 ECBDMO COCC[N@H+]1CCCN(c2nc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000286447760 264398445 /nfs/dbraw/zinc/39/84/45/264398445.db2.gz RHUQDAOYRPEXEX-UHFFFAOYSA-N 1 1 338.364 0.935 20 5 ECBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncc([N+](=O)[O-])c(N)n1)C(C)C ZINC000294901453 265032137 /nfs/dbraw/zinc/03/21/37/265032137.db2.gz HFGJYVHIHIAEFM-JTQLQIEISA-N 1 1 326.357 0.556 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000294992504 265038635 /nfs/dbraw/zinc/03/86/35/265038635.db2.gz NEUQBMBCLGKCTF-UHFFFAOYSA-N 1 1 329.328 0.787 20 5 ECBDMO Cc1nc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000296515758 265111497 /nfs/dbraw/zinc/11/14/97/265111497.db2.gz MIWWPYRDCDYYIL-UHFFFAOYSA-N 1 1 348.407 0.828 20 5 ECBDMO Cc1nc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000296515758 265111499 /nfs/dbraw/zinc/11/14/99/265111499.db2.gz MIWWPYRDCDYYIL-UHFFFAOYSA-N 1 1 348.407 0.828 20 5 ECBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000186636299 275012827 /nfs/dbraw/zinc/01/28/27/275012827.db2.gz LKFJQVRWCRFNAB-SNVBAGLBSA-N 1 1 338.389 0.693 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189387047 437595095 /nfs/dbraw/zinc/59/50/95/437595095.db2.gz QVXWQFMWCOPDHQ-CHWSQXEVSA-N 1 1 336.392 0.920 20 5 ECBDMO NC(=O)N1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343510473 437596205 /nfs/dbraw/zinc/59/62/05/437596205.db2.gz LVEMYHLXDFZKKS-LBPRGKRZSA-N 1 1 338.364 0.421 20 5 ECBDMO C[NH+]1CCN(C(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000176803755 276917553 /nfs/dbraw/zinc/91/75/53/276917553.db2.gz VYGVBORGRVHHTM-UHFFFAOYSA-N 1 1 347.419 0.491 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])n1 ZINC000332708295 297066804 /nfs/dbraw/zinc/06/68/04/297066804.db2.gz YGKZCGKSMBMKNP-LLVKDONJSA-N 1 1 345.425 0.774 20 5 ECBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000337209446 297185273 /nfs/dbraw/zinc/18/52/73/297185273.db2.gz AXSYUAQTAXHHGT-NWANDNLSSA-N 1 1 335.360 0.545 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371723 297262457 /nfs/dbraw/zinc/26/24/57/297262457.db2.gz ODGQTUXVGGGUKI-BETUJISGSA-N 1 1 349.343 0.992 20 5 ECBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338371723 297262458 /nfs/dbraw/zinc/26/24/58/297262458.db2.gz ODGQTUXVGGGUKI-BETUJISGSA-N 1 1 349.343 0.992 20 5 ECBDMO C[C@@H](NC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000338377317 297262779 /nfs/dbraw/zinc/26/27/79/297262779.db2.gz GXELKGAJRNRAQX-GFCCVEGCSA-N 1 1 336.392 0.662 20 5 ECBDMO C[C@@H](NC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000338377317 297262780 /nfs/dbraw/zinc/26/27/80/297262780.db2.gz GXELKGAJRNRAQX-GFCCVEGCSA-N 1 1 336.392 0.662 20 5 ECBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056453 299006977 /nfs/dbraw/zinc/00/69/77/299006977.db2.gz KVURJOABCQCZOI-MCIONIFRSA-N 1 1 338.364 0.222 20 5 ECBDMO O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000353056453 299006980 /nfs/dbraw/zinc/00/69/80/299006980.db2.gz KVURJOABCQCZOI-MCIONIFRSA-N 1 1 338.364 0.222 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)s1 ZINC000363197495 300253695 /nfs/dbraw/zinc/25/36/95/300253695.db2.gz OLFWSLVQLQSSHX-ZJUUUORDSA-N 1 1 347.418 0.798 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)s1 ZINC000363197495 300253697 /nfs/dbraw/zinc/25/36/97/300253697.db2.gz OLFWSLVQLQSSHX-ZJUUUORDSA-N 1 1 347.418 0.798 20 5 ECBDMO O=c1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH]c2ccnn21 ZINC000364343624 300347519 /nfs/dbraw/zinc/34/75/19/300347519.db2.gz XBSZHRJGSMEXIA-LBPRGKRZSA-N 1 1 343.347 0.964 20 5 ECBDMO O=c1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH]c2ccnn21 ZINC000364343624 300347520 /nfs/dbraw/zinc/34/75/20/300347520.db2.gz XBSZHRJGSMEXIA-LBPRGKRZSA-N 1 1 343.347 0.964 20 5 ECBDMO CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345010 300347536 /nfs/dbraw/zinc/34/75/36/300347536.db2.gz ZOQTVQNEULNWJW-QWRGUYRKSA-N 1 1 338.368 0.662 20 5 ECBDMO CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345010 300347538 /nfs/dbraw/zinc/34/75/38/300347538.db2.gz ZOQTVQNEULNWJW-QWRGUYRKSA-N 1 1 338.368 0.662 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000364880681 300396501 /nfs/dbraw/zinc/39/65/01/300396501.db2.gz GEHZQWIJBGZGRK-LLVKDONJSA-N 1 1 336.348 0.687 20 5 ECBDMO CCOC(=O)c1ccnc(N2CC[N@H+]3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000364880681 300396502 /nfs/dbraw/zinc/39/65/02/300396502.db2.gz GEHZQWIJBGZGRK-LLVKDONJSA-N 1 1 336.348 0.687 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000074106556 436107221 /nfs/dbraw/zinc/10/72/21/436107221.db2.gz SEDVOSLGTJVSIR-GFCCVEGCSA-N 1 1 339.396 0.717 20 5 ECBDMO CC(C)NC(=O)C[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025299913 436149562 /nfs/dbraw/zinc/14/95/62/436149562.db2.gz VUQGGNPMFHGZCP-ZDUSSCGKSA-N 1 1 325.365 0.791 20 5 ECBDMO CC(C)NC(=O)C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025299913 436149568 /nfs/dbraw/zinc/14/95/68/436149568.db2.gz VUQGGNPMFHGZCP-ZDUSSCGKSA-N 1 1 325.365 0.791 20 5 ECBDMO O=C(CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCOCC1 ZINC000375402263 301172358 /nfs/dbraw/zinc/17/23/58/301172358.db2.gz JEEPTBLTXSJSLQ-CYBMUJFWSA-N 1 1 337.380 0.677 20 5 ECBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000377994478 301399996 /nfs/dbraw/zinc/39/99/96/301399996.db2.gz TXHGTJWPGHNRHP-VXGBXAGGSA-N 1 1 332.364 0.937 20 5 ECBDMO CCCNC(=O)C[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042071500 436295112 /nfs/dbraw/zinc/29/51/12/436295112.db2.gz PHHZKAHDIVGAAM-UHFFFAOYSA-N 1 1 337.380 0.643 20 5 ECBDMO COC1CC[NH+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080293899 436315671 /nfs/dbraw/zinc/31/56/71/436315671.db2.gz GZLLRQQPEKYBAH-UHFFFAOYSA-N 1 1 343.405 0.984 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090146440 436429752 /nfs/dbraw/zinc/42/97/52/436429752.db2.gz ALNFBGZZLLMSHZ-ZYHUDNBSSA-N 1 1 335.364 0.754 20 5 ECBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000090146440 436429755 /nfs/dbraw/zinc/42/97/55/436429755.db2.gz ALNFBGZZLLMSHZ-ZYHUDNBSSA-N 1 1 335.364 0.754 20 5 ECBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000091482584 436450507 /nfs/dbraw/zinc/45/05/07/436450507.db2.gz AWZHLAJQTTVVLQ-SNVBAGLBSA-N 1 1 328.394 0.996 20 5 ECBDMO COc1cc(C[NH2+]C(CO)CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000548782059 302326656 /nfs/dbraw/zinc/32/66/56/302326656.db2.gz YSWPXJJBXULZFB-UHFFFAOYSA-N 1 1 336.291 0.690 20 5 ECBDMO CC[NH+]1CCN(C(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000551970198 302376255 /nfs/dbraw/zinc/37/62/55/302376255.db2.gz AESJOAASHSTWRW-UHFFFAOYSA-N 1 1 334.376 0.797 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000150726740 436688203 /nfs/dbraw/zinc/68/82/03/436688203.db2.gz VMDOBWFNEALHKG-LBPRGKRZSA-N 1 1 339.396 0.574 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000128092017 436811094 /nfs/dbraw/zinc/81/10/94/436811094.db2.gz QNAUVKJMMXVQIY-LBPRGKRZSA-N 1 1 338.412 0.099 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274060524 436796756 /nfs/dbraw/zinc/79/67/56/436796756.db2.gz ABKVLCRCMTXFQJ-RYUDHWBXSA-N 1 1 339.348 0.360 20 5 ECBDMO CC[N@@H+](CCO)CCNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274673476 436858369 /nfs/dbraw/zinc/85/83/69/436858369.db2.gz PSJJNUQNWOFLSO-UHFFFAOYSA-N 1 1 340.380 0.717 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(CCn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000293386672 436871965 /nfs/dbraw/zinc/87/19/65/436871965.db2.gz WRAFSMSSKZBNSP-LSDHHAIUSA-N 1 1 336.392 0.552 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](CCCO)Cc2ccccn2)c1 ZINC000280696231 436913785 /nfs/dbraw/zinc/91/37/85/436913785.db2.gz ADLVPUSVRVRMJY-HNNXBMFYSA-N 1 1 335.364 0.432 20 5 ECBDMO NS(=O)(=O)c1ccc(NCC[N@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000275383050 436962151 /nfs/dbraw/zinc/96/21/51/436962151.db2.gz BSWPFSCTXFDFLV-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000171129517 436967864 /nfs/dbraw/zinc/96/78/64/436967864.db2.gz ZAKZGFQZCKCFIL-UHFFFAOYSA-N 1 1 326.309 0.811 20 5 ECBDMO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000275448171 436970377 /nfs/dbraw/zinc/97/03/77/436970377.db2.gz CKRMUMXJDHLEIV-JTQLQIEISA-N 1 1 338.364 0.613 20 5 ECBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295603936 436973930 /nfs/dbraw/zinc/97/39/30/436973930.db2.gz XHEIWHNZQWPEMA-ZDUSSCGKSA-N 1 1 337.376 0.937 20 5 ECBDMO CN(C)C(=O)O[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295603646 436974307 /nfs/dbraw/zinc/97/43/07/436974307.db2.gz NIEIKSIFLZGCHA-CYBMUJFWSA-N 1 1 338.364 0.919 20 5 ECBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000295603646 436974309 /nfs/dbraw/zinc/97/43/09/436974309.db2.gz NIEIKSIFLZGCHA-CYBMUJFWSA-N 1 1 338.364 0.919 20 5 ECBDMO COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000275711130 437004471 /nfs/dbraw/zinc/00/44/71/437004471.db2.gz UMKXFBOGOCLFDQ-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000275711130 437004474 /nfs/dbraw/zinc/00/44/74/437004474.db2.gz UMKXFBOGOCLFDQ-GFCCVEGCSA-N 1 1 343.405 0.902 20 5 ECBDMO COCC[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000299504003 437083347 /nfs/dbraw/zinc/08/33/47/437083347.db2.gz LHLNLQAUZLZVAI-UHFFFAOYSA-N 1 1 339.396 0.671 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC000331734099 437152295 /nfs/dbraw/zinc/15/22/95/437152295.db2.gz RZCVOGGJLSLBJF-GFCCVEGCSA-N 1 1 337.380 0.513 20 5 ECBDMO NC(=O)[C@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000276548199 437125635 /nfs/dbraw/zinc/12/56/35/437125635.db2.gz KAGYCQXVRATQCO-HNNXBMFYSA-N 1 1 332.316 0.672 20 5 ECBDMO NC(=O)[C@]1(O)CC[N@@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000276548199 437125640 /nfs/dbraw/zinc/12/56/40/437125640.db2.gz KAGYCQXVRATQCO-HNNXBMFYSA-N 1 1 332.316 0.672 20 5 ECBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000321094474 437212013 /nfs/dbraw/zinc/21/20/13/437212013.db2.gz BBZWFOLZHDUGKH-UHFFFAOYSA-N 1 1 343.405 0.471 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277526878 437228311 /nfs/dbraw/zinc/22/83/11/437228311.db2.gz MGBJDOVGFWYPAC-ZDUSSCGKSA-N 1 1 334.376 0.890 20 5 ECBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000324879567 437228716 /nfs/dbraw/zinc/22/87/16/437228716.db2.gz DINPEFPUWIEBMB-JTQLQIEISA-N 1 1 332.364 0.901 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278455298 437313793 /nfs/dbraw/zinc/31/37/93/437313793.db2.gz IROLIXPKFMJZNZ-LBPRGKRZSA-N 1 1 339.396 0.717 20 5 ECBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334001250 437293279 /nfs/dbraw/zinc/29/32/79/437293279.db2.gz HRCVEBIGPNKFES-NWDGAFQWSA-N 1 1 334.376 0.876 20 5 ECBDMO Cc1c(NC(=O)CC[N@@H+]2CCN3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000267867149 437334730 /nfs/dbraw/zinc/33/47/30/437334730.db2.gz ZBQKNTMDCSUZNT-GFCCVEGCSA-N 1 1 347.375 0.941 20 5 ECBDMO Cc1c(NC(=O)CC[N@H+]2CCN3C(=O)NC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000267867149 437334733 /nfs/dbraw/zinc/33/47/33/437334733.db2.gz ZBQKNTMDCSUZNT-GFCCVEGCSA-N 1 1 347.375 0.941 20 5 ECBDMO Cc1ccc(C[N@@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000181988502 437336190 /nfs/dbraw/zinc/33/61/90/437336190.db2.gz KIAKENVODWMAFF-MRXNPFEDSA-N 1 1 334.376 0.955 20 5 ECBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000184786184 437412540 /nfs/dbraw/zinc/41/25/40/437412540.db2.gz AVXVOAJJRMOZAR-UHFFFAOYSA-N 1 1 328.394 0.773 20 5 ECBDMO CC[N@H+]1CC[C@@H]2OCCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000338734953 437415540 /nfs/dbraw/zinc/41/55/40/437415540.db2.gz YQKQIAPYHIUAQH-NEPJUHHUSA-N 1 1 335.364 0.388 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000338966456 437429769 /nfs/dbraw/zinc/42/97/69/437429769.db2.gz LMGVIILDTOBDEG-AWEZNQCLSA-N 1 1 348.403 0.841 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000353960639 437494983 /nfs/dbraw/zinc/49/49/83/437494983.db2.gz KECLAYLAVSXWHH-CQSZACIVSA-N 1 1 349.391 0.604 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000290671665 437515418 /nfs/dbraw/zinc/51/54/18/437515418.db2.gz PKNTZHASMVCHHA-UHFFFAOYSA-N 1 1 339.396 0.651 20 5 ECBDMO CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC[NH+](C)C ZINC000290671665 437515425 /nfs/dbraw/zinc/51/54/25/437515425.db2.gz PKNTZHASMVCHHA-UHFFFAOYSA-N 1 1 339.396 0.651 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330461976 437517730 /nfs/dbraw/zinc/51/77/30/437517730.db2.gz XYDCOENXBQECDV-GHMZBOCLSA-N 1 1 345.425 0.772 20 5 ECBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1CC(C)(C)O ZINC000188732601 437569203 /nfs/dbraw/zinc/56/92/03/437569203.db2.gz GBKHFXUSLANFHU-GFCCVEGCSA-N 1 1 339.396 0.485 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000343716646 437636258 /nfs/dbraw/zinc/63/62/58/437636258.db2.gz BLLVNIMXJOFBOX-CHWSQXEVSA-N 1 1 328.390 0.744 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000343716647 437636272 /nfs/dbraw/zinc/63/62/72/437636272.db2.gz BLLVNIMXJOFBOX-OLZOCXBDSA-N 1 1 328.390 0.744 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000191898807 437656459 /nfs/dbraw/zinc/65/64/59/437656459.db2.gz XXNVGAFQHSNBIH-NSHDSACASA-N 1 1 339.396 0.728 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)n1 ZINC000191898807 437656464 /nfs/dbraw/zinc/65/64/64/437656464.db2.gz XXNVGAFQHSNBIH-NSHDSACASA-N 1 1 339.396 0.728 20 5 ECBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191861431 437657731 /nfs/dbraw/zinc/65/77/31/437657731.db2.gz BPYCPYQBFSXADM-NSHDSACASA-N 1 1 325.369 0.340 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000331082179 437685258 /nfs/dbraw/zinc/68/52/58/437685258.db2.gz YALMDNMZBUVLJS-QWRGUYRKSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)n1 ZINC000331082179 437685262 /nfs/dbraw/zinc/68/52/62/437685262.db2.gz YALMDNMZBUVLJS-QWRGUYRKSA-N 1 1 325.369 0.338 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC000331219380 437721191 /nfs/dbraw/zinc/72/11/91/437721191.db2.gz IKEGHDJZQZBOBH-JTQLQIEISA-N 1 1 331.398 0.526 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])n1 ZINC000331219380 437721195 /nfs/dbraw/zinc/72/11/95/437721195.db2.gz IKEGHDJZQZBOBH-JTQLQIEISA-N 1 1 331.398 0.526 20 5 ECBDMO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000340682962 437709399 /nfs/dbraw/zinc/70/93/99/437709399.db2.gz RJBKNLTWZLHLJM-JTQLQIEISA-N 1 1 338.364 0.998 20 5 ECBDMO CNC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000340682962 437709402 /nfs/dbraw/zinc/70/94/02/437709402.db2.gz RJBKNLTWZLHLJM-JTQLQIEISA-N 1 1 338.364 0.998 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])nn3C)CC2)CCO1 ZINC000356452578 437766170 /nfs/dbraw/zinc/76/61/70/437766170.db2.gz YZDPYFXHVQDJFA-NSHDSACASA-N 1 1 337.380 0.654 20 5 ECBDMO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000370362147 437770556 /nfs/dbraw/zinc/77/05/56/437770556.db2.gz RQBVWUJDOKBFFO-LLVKDONJSA-N 1 1 325.394 0.441 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c1 ZINC000331260826 437729025 /nfs/dbraw/zinc/72/90/25/437729025.db2.gz BKXCOGITODCVJP-MNOVXSKESA-N 1 1 338.286 0.541 20 5 ECBDMO CC1(C)CCC[N@@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000331296031 437735830 /nfs/dbraw/zinc/73/58/30/437735830.db2.gz NRHDAGJRETUDGL-UHFFFAOYSA-N 1 1 336.392 0.995 20 5 ECBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000356650779 437805358 /nfs/dbraw/zinc/80/53/58/437805358.db2.gz RFGDBKHRXRXDFP-UHFFFAOYSA-N 1 1 326.401 0.284 20 5 ECBDMO CN(CCCN(C)C(=O)c1c([N+](=O)[O-])cnn1C)CC[NH+](C)C ZINC000356650779 437805364 /nfs/dbraw/zinc/80/53/64/437805364.db2.gz RFGDBKHRXRXDFP-UHFFFAOYSA-N 1 1 326.401 0.284 20 5 ECBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347629931 437919422 /nfs/dbraw/zinc/91/94/22/437919422.db2.gz AHFICRHHTNGJRY-ZFWWWQNUSA-N 1 1 339.396 0.390 20 5 ECBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000347647789 437923416 /nfs/dbraw/zinc/92/34/16/437923416.db2.gz PLRMQZYWFJOVEX-AWEZNQCLSA-N 1 1 336.392 0.995 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1CCOC ZINC000357042156 437893931 /nfs/dbraw/zinc/89/39/31/437893931.db2.gz GIIACRLQPVALDR-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1CCOC ZINC000357042156 437893933 /nfs/dbraw/zinc/89/39/33/437893933.db2.gz GIIACRLQPVALDR-LLVKDONJSA-N 1 1 325.369 0.511 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416296603 437910262 /nfs/dbraw/zinc/91/02/62/437910262.db2.gz OHEDDPLOWMPDDL-NEPJUHHUSA-N 1 1 339.396 0.403 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000371626592 437968508 /nfs/dbraw/zinc/96/85/08/437968508.db2.gz HIEHBTHQPVIBSG-ZDUSSCGKSA-N 1 1 332.364 0.903 20 5 ECBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372289941 438064939 /nfs/dbraw/zinc/06/49/39/438064939.db2.gz SVTPWFGBDRCRQO-VXGBXAGGSA-N 1 1 326.353 0.834 20 5 ECBDMO O=C1CNC(=O)N1CCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328725 438070132 /nfs/dbraw/zinc/07/01/32/438070132.db2.gz CGGFITSHLHDSPT-NSHDSACASA-N 1 1 336.352 0.370 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429314 438071254 /nfs/dbraw/zinc/07/12/54/438071254.db2.gz DZPWDEPCXSWUKI-VXGBXAGGSA-N 1 1 346.343 0.436 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366429314 438071259 /nfs/dbraw/zinc/07/12/59/438071259.db2.gz DZPWDEPCXSWUKI-VXGBXAGGSA-N 1 1 346.343 0.436 20 5 ECBDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC12CCC2 ZINC000373182302 438134898 /nfs/dbraw/zinc/13/48/98/438134898.db2.gz HPWDBGVIDBMHQL-OLZOCXBDSA-N 1 1 338.364 0.427 20 5 ECBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000432241633 438187732 /nfs/dbraw/zinc/18/77/32/438187732.db2.gz QSMJMUCUBKVIKE-MBNYWOFBSA-N 1 1 340.376 0.936 20 5 ECBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc([N+](=O)[O-])c(CO)c2)C[C@H](C)O1 ZINC000432241633 438187735 /nfs/dbraw/zinc/18/77/35/438187735.db2.gz QSMJMUCUBKVIKE-MBNYWOFBSA-N 1 1 340.376 0.936 20 5 ECBDMO COCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCSC1 ZINC000433195874 438230233 /nfs/dbraw/zinc/23/02/33/438230233.db2.gz ZFWVHGHVEHGYTI-OCCSQVGLSA-N 1 1 344.437 0.996 20 5 ECBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375048376 438241798 /nfs/dbraw/zinc/24/17/98/438241798.db2.gz HXXFGTPKUYDGRI-YGRLFVJLSA-N 1 1 340.405 0.773 20 5 ECBDMO O=C(C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677224 438324145 /nfs/dbraw/zinc/32/41/45/438324145.db2.gz WCDFFYSPMLSDMH-TZMCWYRMSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@H]2C(=O)NC[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377677224 438324147 /nfs/dbraw/zinc/32/41/47/438324147.db2.gz WCDFFYSPMLSDMH-TZMCWYRMSA-N 1 1 344.371 0.552 20 5 ECBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000368784655 438380421 /nfs/dbraw/zinc/38/04/21/438380421.db2.gz PEBAKMBABMLDOY-LBPRGKRZSA-N 1 1 337.380 0.503 20 5 ECBDMO Cc1cccc(NCCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[nH+]1 ZINC000359757255 438491985 /nfs/dbraw/zinc/49/19/85/438491985.db2.gz ZOHZIJWKVQCABA-UHFFFAOYSA-N 1 1 331.332 0.688 20 5 ECBDMO COCCC[N@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369904611 438526971 /nfs/dbraw/zinc/52/69/71/438526971.db2.gz ODDRRFYSBUHPCM-OAHLLOKOSA-N 1 1 341.412 0.196 20 5 ECBDMO COCCCN1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369904611 438526975 /nfs/dbraw/zinc/52/69/75/438526975.db2.gz ODDRRFYSBUHPCM-OAHLLOKOSA-N 1 1 341.412 0.196 20 5 ECBDMO COCCCN1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000369904611 438526977 /nfs/dbraw/zinc/52/69/77/438526977.db2.gz ODDRRFYSBUHPCM-OAHLLOKOSA-N 1 1 341.412 0.196 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000370055582 438549082 /nfs/dbraw/zinc/54/90/82/438549082.db2.gz KPWREGZPOSMPKR-AWEZNQCLSA-N 1 1 336.440 0.930 20 5 ECBDMO COC(=O)[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+](C)C1 ZINC000413494734 438694264 /nfs/dbraw/zinc/69/42/64/438694264.db2.gz ICBJZHDQVGISFC-JTQLQIEISA-N 1 1 334.336 0.179 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451633284 438703031 /nfs/dbraw/zinc/70/30/31/438703031.db2.gz MATJFIRDTPIDHL-MXWKQRLJSA-N 1 1 346.343 0.435 20 5 ECBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451633284 438703032 /nfs/dbraw/zinc/70/30/32/438703032.db2.gz MATJFIRDTPIDHL-MXWKQRLJSA-N 1 1 346.343 0.435 20 5 ECBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457121692 438796086 /nfs/dbraw/zinc/79/60/86/438796086.db2.gz LZUUSDAHETUDLF-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000457121692 438796088 /nfs/dbraw/zinc/79/60/88/438796088.db2.gz LZUUSDAHETUDLF-ZDUSSCGKSA-N 1 1 336.392 0.922 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117880 438793422 /nfs/dbraw/zinc/79/34/22/438793422.db2.gz GZTBABBDRMTGLS-QWHCGFSZSA-N 1 1 333.392 0.836 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000595659725 438839811 /nfs/dbraw/zinc/83/98/11/438839811.db2.gz DGEDSNYKWBJJBP-GXTWGEPZSA-N 1 1 337.332 0.762 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595662357 438840355 /nfs/dbraw/zinc/84/03/55/438840355.db2.gz LMNFOWRIMUTIDB-SUZMYJTESA-N 1 1 337.332 0.842 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595662367 438840385 /nfs/dbraw/zinc/84/03/85/438840385.db2.gz LMNFOWRIMUTIDB-XHVZSJERSA-N 1 1 337.332 0.842 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457930418 438842952 /nfs/dbraw/zinc/84/29/52/438842952.db2.gz CFTRWBDDXPMFDS-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000457930418 438842956 /nfs/dbraw/zinc/84/29/56/438842956.db2.gz CFTRWBDDXPMFDS-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595662473 438843050 /nfs/dbraw/zinc/84/30/50/438843050.db2.gz NHMQNBFMRKOMRB-GXTWGEPZSA-N 1 1 337.332 0.478 20 5 ECBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000595663511 438843783 /nfs/dbraw/zinc/84/37/83/438843783.db2.gz PGWVMAZZBPLMEN-MELADBBJSA-N 1 1 349.343 0.620 20 5 ECBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COCCO1 ZINC000595744030 438853881 /nfs/dbraw/zinc/85/38/81/438853881.db2.gz UNXBMTJKZSYDGP-HIFRSBDPSA-N 1 1 326.349 0.682 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COCCO1 ZINC000595744029 438854026 /nfs/dbraw/zinc/85/40/26/438854026.db2.gz UNXBMTJKZSYDGP-DZGCQCFKSA-N 1 1 326.349 0.682 20 5 ECBDMO NC(=O)c1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1 ZINC000595863803 438872499 /nfs/dbraw/zinc/87/24/99/438872499.db2.gz OYHNDUDLGOBLGQ-OAHLLOKOSA-N 1 1 348.403 0.725 20 5 ECBDMO NC(=O)c1ccnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c1[N+](=O)[O-] ZINC000589556587 438876189 /nfs/dbraw/zinc/87/61/89/438876189.db2.gz TUNWUXXWCQRMFR-NSHDSACASA-N 1 1 335.364 0.390 20 5 ECBDMO C[C@H]1CN(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000564865347 438880296 /nfs/dbraw/zinc/88/02/96/438880296.db2.gz XTCINFALKTYALA-DZGCQCFKSA-N 1 1 341.412 0.243 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000589925681 438891054 /nfs/dbraw/zinc/89/10/54/438891054.db2.gz OAEWFMQHIFTGAH-JQWIXIFHSA-N 1 1 341.389 0.928 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC(CN2CC[NH+](C)CC2)C1 ZINC000590399629 438917900 /nfs/dbraw/zinc/91/79/00/438917900.db2.gz LMECSDSQJNIMJY-UHFFFAOYSA-N 1 1 348.403 0.923 20 5 ECBDMO CC[N@H+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000596232049 438943981 /nfs/dbraw/zinc/94/39/81/438943981.db2.gz TVVNVVGSLUHJIL-SNVBAGLBSA-N 1 1 328.394 0.773 20 5 ECBDMO [NH3+][C@H]1CCC[C@@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516877462 438932788 /nfs/dbraw/zinc/93/27/88/438932788.db2.gz GFCOVMUYRCAJIL-NWDGAFQWSA-N 1 1 342.421 0.733 20 5 ECBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+](C)C1 ZINC000596271252 438949134 /nfs/dbraw/zinc/94/91/34/438949134.db2.gz YLPBFPNPPRTFJY-JTQLQIEISA-N 1 1 336.348 0.235 20 5 ECBDMO CC(C)[N@@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000565489935 438955156 /nfs/dbraw/zinc/95/51/56/438955156.db2.gz FCOCXVJVLFYICP-GFCCVEGCSA-N 1 1 336.352 0.650 20 5 ECBDMO O=[N+]([O-])c1cnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1 ZINC000596422841 438960875 /nfs/dbraw/zinc/96/08/75/438960875.db2.gz HPKBAFNFUQMOIM-OAHLLOKOSA-N 1 1 329.360 1.564 20 5 ECBDMO O=[N+]([O-])c1cnc2ccc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)nn21 ZINC000596540585 438974459 /nfs/dbraw/zinc/97/44/59/438974459.db2.gz VACFZPJWHZUGHO-LBPRGKRZSA-N 1 1 332.364 0.673 20 5 ECBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)n1 ZINC000591687940 439063157 /nfs/dbraw/zinc/06/31/57/439063157.db2.gz LCGXGFZZOXKVLR-LBPRGKRZSA-N 1 1 330.348 0.993 20 5 ECBDMO CCN1CCN([C@@H]2CC[N@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778488 439135557 /nfs/dbraw/zinc/13/55/57/439135557.db2.gz YMXKLEKOUNPBRI-OAHLLOKOSA-N 1 1 336.440 0.812 20 5 ECBDMO CCN1CCN([C@@H]2CC[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C2)CC1 ZINC000602778488 439135563 /nfs/dbraw/zinc/13/55/63/439135563.db2.gz YMXKLEKOUNPBRI-OAHLLOKOSA-N 1 1 336.440 0.812 20 5 ECBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000602810339 439140713 /nfs/dbraw/zinc/14/07/13/439140713.db2.gz SMNIRGQUKVLIOE-UHFFFAOYSA-N 1 1 335.343 0.851 20 5 ECBDMO Cc1[nH]nc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000592340978 439209124 /nfs/dbraw/zinc/20/91/24/439209124.db2.gz IKJYONRJPQVOSS-SMDDNHRTSA-N 1 1 337.380 0.985 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(c3[nH]cc[nH+]3)CC2)c1 ZINC000568346936 439239126 /nfs/dbraw/zinc/23/91/26/439239126.db2.gz IGWRVDICWAONLH-CQSZACIVSA-N 1 1 347.375 0.880 20 5 ECBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335687 439320983 /nfs/dbraw/zinc/32/09/83/439320983.db2.gz FNFNSBVOAOPGEY-ONGXEEELSA-N 1 1 326.378 0.751 20 5 ECBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000582335687 439320989 /nfs/dbraw/zinc/32/09/89/439320989.db2.gz FNFNSBVOAOPGEY-ONGXEEELSA-N 1 1 326.378 0.751 20 5 ECBDMO O=[N+]([O-])c1c(N[C@@H]2CCn3cc[nH+]c3C2)ncnc1N1CCOCC1 ZINC000598613629 439287138 /nfs/dbraw/zinc/28/71/38/439287138.db2.gz ATLODLFBNMLSBD-LLVKDONJSA-N 1 1 345.363 0.845 20 5 ECBDMO COC(=O)c1ccnc(N2CC[N@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000598617500 439289513 /nfs/dbraw/zinc/28/95/13/439289513.db2.gz SQYOKHMJRHYZHT-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO COC(=O)c1ccnc(N2CC[N@@H+](CCO)C(C)(C)C2)c1[N+](=O)[O-] ZINC000598617500 439289517 /nfs/dbraw/zinc/28/95/17/439289517.db2.gz SQYOKHMJRHYZHT-UHFFFAOYSA-N 1 1 338.364 0.669 20 5 ECBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000599108955 439360343 /nfs/dbraw/zinc/36/03/43/439360343.db2.gz XBCFPBATUROHIE-LLVKDONJSA-N 1 1 329.378 0.478 20 5 ECBDMO CNc1nccc(C(=O)NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000569825124 439366147 /nfs/dbraw/zinc/36/61/47/439366147.db2.gz MARWHMODGXMODO-UHFFFAOYSA-N 1 1 338.412 0.645 20 5 ECBDMO CNc1nccc(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000569825124 439366149 /nfs/dbraw/zinc/36/61/49/439366149.db2.gz MARWHMODGXMODO-UHFFFAOYSA-N 1 1 338.412 0.645 20 5 ECBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599245639 439396720 /nfs/dbraw/zinc/39/67/20/439396720.db2.gz VOOVPKPQBRFCNG-VHSXEESVSA-N 1 1 331.398 0.289 20 5 ECBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)cn1 ZINC000599259559 439403331 /nfs/dbraw/zinc/40/33/31/439403331.db2.gz MSXBBLKSIOPIOT-AWEZNQCLSA-N 1 1 336.392 0.778 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)NCC2CC[NH+](C3CC3)CC2)n1 ZINC000599292078 439421541 /nfs/dbraw/zinc/42/15/41/439421541.db2.gz XJHVDRPCHAJZHN-UHFFFAOYSA-N 1 1 343.409 0.481 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000599338747 439440458 /nfs/dbraw/zinc/44/04/58/439440458.db2.gz WDDUIJZKKPTILK-VIFPVBQESA-N 1 1 331.398 0.479 20 5 ECBDMO COCC[N@H+](C)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980910 439503353 /nfs/dbraw/zinc/50/33/53/439503353.db2.gz CZUILVPHODTUFT-CQSZACIVSA-N 1 1 341.412 0.367 20 5 ECBDMO COCC[N@@H+](C)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593980910 439503354 /nfs/dbraw/zinc/50/33/54/439503354.db2.gz CZUILVPHODTUFT-CQSZACIVSA-N 1 1 341.412 0.367 20 5 ECBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594027910 439508414 /nfs/dbraw/zinc/50/84/14/439508414.db2.gz VCFDVXLNCUIZEE-LSDHHAIUSA-N 1 1 348.403 0.983 20 5 ECBDMO O=C(CCN1CC[N@H+]2C[C@H](O)C[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000594027997 439508984 /nfs/dbraw/zinc/50/89/84/439508984.db2.gz YNAVLLDITXPYHL-LSDHHAIUSA-N 1 1 334.376 0.674 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593738022 439458296 /nfs/dbraw/zinc/45/82/96/439458296.db2.gz KFJAOBYTWLZPKS-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593738022 439458301 /nfs/dbraw/zinc/45/83/01/439458301.db2.gz KFJAOBYTWLZPKS-LLVKDONJSA-N 1 1 325.340 0.801 20 5 ECBDMO Cc1nn(CCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000594393799 439554112 /nfs/dbraw/zinc/55/41/12/439554112.db2.gz QBGATZQEFQSZEH-QWHCGFSZSA-N 1 1 337.380 0.076 20 5 ECBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594394598 439554638 /nfs/dbraw/zinc/55/46/38/439554638.db2.gz YHSVWVGQUYMUER-VHSXEESVSA-N 1 1 335.316 0.215 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000609269412 439560942 /nfs/dbraw/zinc/56/09/42/439560942.db2.gz PWNFITDKCXMGMZ-GFCCVEGCSA-N 1 1 325.369 0.327 20 5 ECBDMO C[N@@H+](CCN1CCCC1=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000609578225 439578642 /nfs/dbraw/zinc/57/86/42/439578642.db2.gz MBFMDPKGEXPQIK-AWEZNQCLSA-N 1 1 337.376 0.889 20 5 ECBDMO CC(C)(C(=O)NC1CC([NH+]2CCOCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000600069181 439606379 /nfs/dbraw/zinc/60/63/79/439606379.db2.gz ORCZJASBZPBKLN-UHFFFAOYSA-N 1 1 337.380 0.506 20 5 ECBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263981 439606374 /nfs/dbraw/zinc/60/63/74/439606374.db2.gz ADZKOSYTUFABPW-NSHDSACASA-N 1 1 328.394 0.952 20 5 ECBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600070871 439608778 /nfs/dbraw/zinc/60/87/78/439608778.db2.gz RNJAOKDHGSJNND-GFCCVEGCSA-N 1 1 336.348 0.025 20 5 ECBDMO CNc1ccc(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610792702 439648116 /nfs/dbraw/zinc/64/81/16/439648116.db2.gz YWUIMJVDLXXDFU-UHFFFAOYSA-N 1 1 349.391 0.483 20 5 ECBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600807430 439704695 /nfs/dbraw/zinc/70/46/95/439704695.db2.gz CSAZIEFJYNJSSE-LBPRGKRZSA-N 1 1 327.768 0.974 20 5 ECBDMO NC(=O)N[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000342874146 321106988 /nfs/dbraw/zinc/10/69/88/321106988.db2.gz MLVZWKITCQDIKA-JTQLQIEISA-N 1 1 349.347 0.635 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000347510941 321242083 /nfs/dbraw/zinc/24/20/83/321242083.db2.gz AGAZBWVHILLVCT-UHFFFAOYSA-N 1 1 338.412 0.332 20 5 ECBDMO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348785012 321288234 /nfs/dbraw/zinc/28/82/34/321288234.db2.gz CDPQWAQNLAWFHI-CQSZACIVSA-N 1 1 344.375 0.825 20 5 ECBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000578193171 322857773 /nfs/dbraw/zinc/85/77/73/322857773.db2.gz PSQUQCXYJYAQMQ-DGCLKSJQSA-N 1 1 341.389 0.655 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211932 534480783 /nfs/dbraw/zinc/48/07/83/534480783.db2.gz OBMQFURFZRGHFQ-ZDUSSCGKSA-N 1 1 348.403 0.848 20 5 ECBDMO NC(=O)c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000129211932 534480789 /nfs/dbraw/zinc/48/07/89/534480789.db2.gz OBMQFURFZRGHFQ-ZDUSSCGKSA-N 1 1 348.403 0.848 20 5 ECBDMO CC[N@@H+](CCO)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184335451 528552367 /nfs/dbraw/zinc/55/23/67/528552367.db2.gz PRTRYMFLXPKZHL-UHFFFAOYSA-N 1 1 331.394 0.328 20 5 ECBDMO NC(=O)C[NH+]1CCC(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000749401740 579337869 /nfs/dbraw/zinc/33/78/69/579337869.db2.gz RYTJYFHLUNJIMG-UHFFFAOYSA-N 1 1 345.359 0.756 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000749540334 579339227 /nfs/dbraw/zinc/33/92/27/579339227.db2.gz NQVVWKQEQQVBNJ-JQWIXIFHSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000749540334 579339228 /nfs/dbraw/zinc/33/92/28/579339228.db2.gz NQVVWKQEQQVBNJ-JQWIXIFHSA-N 1 1 338.412 0.990 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1C ZINC000736145481 578411063 /nfs/dbraw/zinc/41/10/63/578411063.db2.gz CDXOIEYWEZDJBJ-GHMZBOCLSA-N 1 1 347.379 0.666 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000737004430 578472037 /nfs/dbraw/zinc/47/20/37/578472037.db2.gz MMTXSLMMPHPYJD-NSHDSACASA-N 1 1 347.379 0.932 20 5 ECBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3ncc4ccc([N+](=O)[O-])cc43)C[C@H]2C1 ZINC000787636943 578811952 /nfs/dbraw/zinc/81/19/52/578811952.db2.gz ZPCBCWUAKTWKKU-BETUJISGSA-N 1 1 329.360 0.965 20 5 ECBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@H+](C)CCO1 ZINC000770235644 579163144 /nfs/dbraw/zinc/16/31/44/579163144.db2.gz IUBQOEZNSQMOIA-IAQYHMDHSA-N 1 1 347.375 0.780 20 5 ECBDMO C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1C[N@@H+](C)CCO1 ZINC000770235644 579163146 /nfs/dbraw/zinc/16/31/46/579163146.db2.gz IUBQOEZNSQMOIA-IAQYHMDHSA-N 1 1 347.375 0.780 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@H+]2CCN1CCC2 ZINC000773535624 579229042 /nfs/dbraw/zinc/22/90/42/579229042.db2.gz VFYWSZZYCNALBH-AWEZNQCLSA-N 1 1 347.419 0.781 20 5 ECBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000776593085 579285420 /nfs/dbraw/zinc/28/54/20/579285420.db2.gz VZICOTJYWKRIRM-CVEARBPZSA-N 1 1 339.392 0.253 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592128 579285499 /nfs/dbraw/zinc/28/54/99/579285499.db2.gz TUAPXUFYVIICMQ-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776592128 579285500 /nfs/dbraw/zinc/28/55/00/579285500.db2.gz TUAPXUFYVIICMQ-KGLIPLIRSA-N 1 1 343.405 0.642 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000896555452 586254159 /nfs/dbraw/zinc/25/41/59/586254159.db2.gz JLBXZMCESZDHAK-XJKSGUPXSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000896555452 586254163 /nfs/dbraw/zinc/25/41/63/586254163.db2.gz JLBXZMCESZDHAK-XJKSGUPXSA-N 1 1 349.435 0.782 20 5 ECBDMO C[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000896555452 586254164 /nfs/dbraw/zinc/25/41/64/586254164.db2.gz JLBXZMCESZDHAK-XJKSGUPXSA-N 1 1 349.435 0.782 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000896566928 586256440 /nfs/dbraw/zinc/25/64/40/586256440.db2.gz FGBYQBYOSFPDJO-XHDPSFHLSA-N 1 1 336.392 0.968 20 5 ECBDMO COc1cc(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000896567065 586256637 /nfs/dbraw/zinc/25/66/37/586256637.db2.gz YVPURGRNZJBBEA-FZMZJTMJSA-N 1 1 336.392 0.968 20 5 ECBDMO CNS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000893939985 586367455 /nfs/dbraw/zinc/36/74/55/586367455.db2.gz LMTZSAKAQCEZJL-QMTHXVAHSA-N 1 1 340.405 0.643 20 5 ECBDMO C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000899946885 586514611 /nfs/dbraw/zinc/51/46/11/586514611.db2.gz JSQINZSTSKKDRB-GUYCJALGSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1C[N@H+](C)CCO1 ZINC000801928719 587005988 /nfs/dbraw/zinc/00/59/88/587005988.db2.gz XWZTYTZGVRVUAS-AMIZOPFISA-N 1 1 326.328 0.765 20 5 ECBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1C[N@@H+](C)CCO1 ZINC000801928719 587005991 /nfs/dbraw/zinc/00/59/91/587005991.db2.gz XWZTYTZGVRVUAS-AMIZOPFISA-N 1 1 326.328 0.765 20 5 ECBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000808159308 587146222 /nfs/dbraw/zinc/14/62/22/587146222.db2.gz BUFZGNVTJIOLDO-UONOGXRCSA-N 1 1 348.403 0.942 20 5 ECBDMO Cn1cnc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000808383552 587154497 /nfs/dbraw/zinc/15/44/97/587154497.db2.gz ILGOSYHFHKMKTI-UHFFFAOYSA-N 1 1 339.377 0.396 20 5 ECBDMO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000824014724 587848606 /nfs/dbraw/zinc/84/86/06/587848606.db2.gz RDADXVHMUWALBN-OAGGEKHMSA-N 1 1 331.372 0.976 20 5 ECBDMO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000824014724 587848607 /nfs/dbraw/zinc/84/86/07/587848607.db2.gz RDADXVHMUWALBN-OAGGEKHMSA-N 1 1 331.372 0.976 20 5 ECBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827012930 588095314 /nfs/dbraw/zinc/09/53/14/588095314.db2.gz CYTLYAVDRHSRJH-ZDUSSCGKSA-N 1 1 340.424 0.587 20 5 ECBDMO O=Cc1ccc(OCC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000848307096 589288058 /nfs/dbraw/zinc/28/80/58/589288058.db2.gz DMBPGIPXDSAMTG-QWHCGFSZSA-N 1 1 349.343 0.064 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853517734 589545593 /nfs/dbraw/zinc/54/55/93/589545593.db2.gz CSCUBYCSWPRSQY-LLVKDONJSA-N 1 1 330.348 0.879 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@@H+](Cn2cc([N+](=O)[O-])c(-c3ccccn3)n2)C1 ZINC000853517734 589545595 /nfs/dbraw/zinc/54/55/95/589545595.db2.gz CSCUBYCSWPRSQY-LLVKDONJSA-N 1 1 330.348 0.879 20 5 ECBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000854641698 589597626 /nfs/dbraw/zinc/59/76/26/589597626.db2.gz FBGGNCRJZMBXTA-PMPSAXMXSA-N 1 1 349.387 0.950 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000863319739 590003059 /nfs/dbraw/zinc/00/30/59/590003059.db2.gz GKKJMFDXBSNJJD-IAQYHMDHSA-N 1 1 348.359 0.271 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CN(S(=O)(=O)N(C)C)C1 ZINC000873146665 590185385 /nfs/dbraw/zinc/18/53/85/590185385.db2.gz UKNATFOHERHZHC-UHFFFAOYSA-N 1 1 342.421 0.792 20 5 ECBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000886595342 590862817 /nfs/dbraw/zinc/86/28/17/590862817.db2.gz HMBAGAYOPDLSMM-CYBMUJFWSA-N 1 1 336.392 0.945 20 5 ECBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000886595342 590862821 /nfs/dbraw/zinc/86/28/21/590862821.db2.gz HMBAGAYOPDLSMM-CYBMUJFWSA-N 1 1 336.392 0.945 20 5 ECBDMO C[N@H+]1CC[C@@H]1CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000925432525 609956409 /nfs/dbraw/zinc/95/64/09/609956409.db2.gz SZUDUNIWBIPBBH-GFCCVEGCSA-N 1 1 334.380 0.526 20 5 ECBDMO O=C1CNCCN1[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923332851 611230231 /nfs/dbraw/zinc/23/02/31/611230231.db2.gz MYZPBJJRMRMBLJ-HOTGVXAUSA-N 1 1 348.403 0.524 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000247690002 612534993 /nfs/dbraw/zinc/53/49/93/612534993.db2.gz VSMBVGKBPATLNZ-YPMHNXCESA-N 1 1 326.353 0.237 20 5 ECBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000954241507 612791132 /nfs/dbraw/zinc/79/11/32/612791132.db2.gz CMEMVKIRBOWTIS-ZIAGYGMSSA-N 1 1 338.408 0.053 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(C2(NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)CC1 ZINC001000153655 745295763 /nfs/dbraw/zinc/29/57/63/745295763.db2.gz KKXCXWHZWCOKLK-CHWSQXEVSA-N 1 1 338.408 0.101 20 5 ECBDMO CC[N@@H+](C)CCC(=O)N(C)CCN(C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001105460305 752062772 /nfs/dbraw/zinc/06/27/72/752062772.db2.gz XRKVQLBSTWGSJA-UHFFFAOYSA-N 1 1 339.396 0.932 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985285458 747639180 /nfs/dbraw/zinc/63/91/80/747639180.db2.gz ANMRVKBOCLTPOL-UHFFFAOYSA-N 1 1 347.379 0.788 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985285458 747639185 /nfs/dbraw/zinc/63/91/85/747639185.db2.gz ANMRVKBOCLTPOL-UHFFFAOYSA-N 1 1 347.379 0.788 20 5 ECBDMO Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048812850 757075598 /nfs/dbraw/zinc/07/55/98/757075598.db2.gz RDARXYZMHVDRNU-LXTVHRRPSA-N 1 1 333.392 0.018 20 5 ECBDMO Cn1cc(CC[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048812850 757075605 /nfs/dbraw/zinc/07/56/05/757075605.db2.gz RDARXYZMHVDRNU-LXTVHRRPSA-N 1 1 333.392 0.018 20 5 ECBDMO Cn1cc(CC[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001048812850 757075614 /nfs/dbraw/zinc/07/56/14/757075614.db2.gz RDARXYZMHVDRNU-LXTVHRRPSA-N 1 1 333.392 0.018 20 5 ECBDMO Cn1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC001022064163 758228238 /nfs/dbraw/zinc/22/82/38/758228238.db2.gz YVECYWSSDCFZLK-LMLFDSFASA-N 1 1 343.334 0.760 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CN(C(=O)c3ccon3)C[C@H]2C1 ZINC001048694477 760955564 /nfs/dbraw/zinc/95/55/64/760955564.db2.gz OVSVCDPFMXHEJB-PHIMTYICSA-N 1 1 346.347 0.520 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CN(C(=O)c3ccon3)C[C@H]2C1 ZINC001048694477 760955572 /nfs/dbraw/zinc/95/55/72/760955572.db2.gz OVSVCDPFMXHEJB-PHIMTYICSA-N 1 1 346.347 0.520 20 5 ECBDMO CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001055575270 769160894 /nfs/dbraw/zinc/16/08/94/769160894.db2.gz PTDCVEWNJBETHV-CHWSQXEVSA-N 1 1 340.424 0.395 20 5 ECBDMO C[N@@H+](CC(=O)N1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1)C1CCC1 ZINC001056062307 770715092 /nfs/dbraw/zinc/71/50/92/770715092.db2.gz DTACKZYIRSPUEH-UHFFFAOYSA-N 1 1 349.395 0.100 20 5 ECBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138986 772205656 /nfs/dbraw/zinc/20/56/56/772205656.db2.gz LGBUAPQTNDKZSK-AAVRWANBSA-N 1 1 347.371 0.860 20 5 ECBDMO Cc1ccccc1NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001266696930 836159757 /nfs/dbraw/zinc/15/97/57/836159757.db2.gz XGOSEFJIDHBDQZ-TZMCWYRMSA-N 1 1 334.376 0.647 20 5 ECBDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000173620107 529781648 /nfs/dbraw/zinc/78/16/48/529781648.db2.gz ZFZRUENNEYYWIR-OAHLLOKOSA-N 1 1 334.376 0.574 20 5 ECBDMO C[N@H+]1CCO[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000173620107 529781649 /nfs/dbraw/zinc/78/16/49/529781649.db2.gz ZFZRUENNEYYWIR-OAHLLOKOSA-N 1 1 334.376 0.574 20 5 ECBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c1 ZINC000425550931 210071086 /nfs/dbraw/zinc/07/10/86/210071086.db2.gz PSKNUBBNRVTXFV-AAEUAGOBSA-N 1 1 333.348 0.942 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425546062 210069968 /nfs/dbraw/zinc/06/99/68/210069968.db2.gz KMRAGTGKISLXDL-RYUDHWBXSA-N 1 1 333.348 0.942 20 5 ECBDMO CCn1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])n1 ZINC000425215810 210019572 /nfs/dbraw/zinc/01/95/72/210019572.db2.gz OPVVQMKVFABVDX-WDEREUQCSA-N 1 1 343.409 0.526 20 5 ECBDMO C[C@@H](O)C[NH+]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000189348947 437592237 /nfs/dbraw/zinc/59/22/37/437592237.db2.gz AYUKZLINTQHOFV-CJNGLKHVSA-N 1 1 348.403 0.699 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000338967384 283348338 /nfs/dbraw/zinc/34/83/38/283348338.db2.gz SYIIMSNPDUCPTP-ZDUSSCGKSA-N 1 1 334.376 0.912 20 5 ECBDMO [NH3+]CC(F)(F)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000190280972 238354107 /nfs/dbraw/zinc/35/41/07/238354107.db2.gz BCELWBKCMXRMAE-UHFFFAOYSA-N 1 1 326.263 0.499 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000264922971 247050338 /nfs/dbraw/zinc/05/03/38/247050338.db2.gz QFEZJVMVURJXGX-SNVBAGLBSA-N 1 1 346.343 0.401 20 5 ECBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266491487 248329490 /nfs/dbraw/zinc/32/94/90/248329490.db2.gz VMTZWSQCZKUXIO-DGCLKSJQSA-N 1 1 341.368 0.363 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCCOCC1 ZINC000445665262 211120014 /nfs/dbraw/zinc/12/00/14/211120014.db2.gz OYZGXMPZHVRJFP-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCOCC1 ZINC000445665262 211120020 /nfs/dbraw/zinc/12/00/20/211120020.db2.gz OYZGXMPZHVRJFP-UHFFFAOYSA-N 1 1 344.393 0.376 20 5 ECBDMO COCC[N@@H+]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444173195 211056409 /nfs/dbraw/zinc/05/64/09/211056409.db2.gz CDYABDVMCLTIFS-ZDUSSCGKSA-N 1 1 343.405 0.735 20 5 ECBDMO COCC[N@H+]1CC[C@H](NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000444173195 211056412 /nfs/dbraw/zinc/05/64/12/211056412.db2.gz CDYABDVMCLTIFS-ZDUSSCGKSA-N 1 1 343.405 0.735 20 5 ECBDMO O=C1CNC(=O)N1CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440484378 210835044 /nfs/dbraw/zinc/83/50/44/210835044.db2.gz HOLWGOPTKPGQAV-SNVBAGLBSA-N 1 1 334.336 0.028 20 5 ECBDMO COC(=O)Nc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000496327418 255091361 /nfs/dbraw/zinc/09/13/61/255091361.db2.gz QISULGIFOSDYLC-UHFFFAOYSA-N 1 1 344.349 0.367 20 5 ECBDMO COc1ccc(S(=O)(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000109066768 286350476 /nfs/dbraw/zinc/35/04/76/286350476.db2.gz KFVDAWVPOXWFLX-NXEZZACHSA-N 1 1 329.378 0.974 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471560 165177669 /nfs/dbraw/zinc/17/76/69/165177669.db2.gz VTWZTKKUXUYIQL-TZMCWYRMSA-N 1 1 337.376 0.935 20 5 ECBDMO CNC(=O)[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248471560 165177672 /nfs/dbraw/zinc/17/76/72/165177672.db2.gz VTWZTKKUXUYIQL-TZMCWYRMSA-N 1 1 337.376 0.935 20 5 ECBDMO O=C(CC[N@@H+]1C[C@H](O)C[C@H]1CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000249393556 165197798 /nfs/dbraw/zinc/19/77/98/165197798.db2.gz SHNIBQFDEYSXQO-WDEREUQCSA-N 1 1 327.312 0.490 20 5 ECBDMO CN(C)C(=O)C[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267192457 263180133 /nfs/dbraw/zinc/18/01/33/263180133.db2.gz CCVJJVXBHIJPHA-UHFFFAOYSA-N 1 1 349.391 0.459 20 5 ECBDMO C[NH+]1CCC(O)(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000269820165 263206640 /nfs/dbraw/zinc/20/66/40/263206640.db2.gz VWCGNEHDAXWLGZ-UHFFFAOYSA-N 1 1 347.368 0.469 20 5 ECBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)CNc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000285105578 264278896 /nfs/dbraw/zinc/27/88/96/264278896.db2.gz UKTUWUSOQWGHBI-HUUCEWRRSA-N 1 1 334.376 0.938 20 5 ECBDMO CC(=O)N1CCN(C(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285178883 264288479 /nfs/dbraw/zinc/28/84/79/264288479.db2.gz BOZJAEJCHKBTDR-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CC(=O)N1CCN(C(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285178883 264288480 /nfs/dbraw/zinc/28/84/80/264288480.db2.gz BOZJAEJCHKBTDR-UHFFFAOYSA-N 1 1 348.403 0.760 20 5 ECBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294601367 265009788 /nfs/dbraw/zinc/00/97/88/265009788.db2.gz JDKDHLFYXKVADL-MWLCHTKSSA-N 1 1 325.369 0.407 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294601367 265009792 /nfs/dbraw/zinc/00/97/92/265009792.db2.gz JDKDHLFYXKVADL-MWLCHTKSSA-N 1 1 325.369 0.407 20 5 ECBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000294601367 265009795 /nfs/dbraw/zinc/00/97/95/265009795.db2.gz JDKDHLFYXKVADL-MWLCHTKSSA-N 1 1 325.369 0.407 20 5 ECBDMO C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000298300998 265237674 /nfs/dbraw/zinc/23/76/74/265237674.db2.gz AUIJMXLEIJVDRQ-VIFPVBQESA-N 1 1 329.378 0.678 20 5 ECBDMO O=C(NCC[N@H+]1CCCOCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000189436521 437598359 /nfs/dbraw/zinc/59/83/59/437598359.db2.gz KXQLPXKRFZOVNZ-UHFFFAOYSA-N 1 1 333.348 0.923 20 5 ECBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343533797 437599545 /nfs/dbraw/zinc/59/95/45/437599545.db2.gz HOOPQZFZKSDFGX-FRRDWIJNSA-N 1 1 335.360 0.687 20 5 ECBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000346201678 298238131 /nfs/dbraw/zinc/23/81/31/298238131.db2.gz GJISPCWZWPYUDH-JTQLQIEISA-N 1 1 325.369 0.721 20 5 ECBDMO CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345008 300347909 /nfs/dbraw/zinc/34/79/09/300347909.db2.gz ZOQTVQNEULNWJW-GHMZBOCLSA-N 1 1 338.368 0.662 20 5 ECBDMO CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345008 300347911 /nfs/dbraw/zinc/34/79/11/300347911.db2.gz ZOQTVQNEULNWJW-GHMZBOCLSA-N 1 1 338.368 0.662 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1CN1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000374872747 301130621 /nfs/dbraw/zinc/13/06/21/301130621.db2.gz FHJONCPONDTXDQ-CQSZACIVSA-N 1 1 336.440 0.930 20 5 ECBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375731540 301203532 /nfs/dbraw/zinc/20/35/32/301203532.db2.gz OCBMBVMVRGSIOC-KCQAQPDRSA-N 1 1 342.396 0.841 20 5 ECBDMO CC(C)C(=O)N1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075712142 436171242 /nfs/dbraw/zinc/17/12/42/436171242.db2.gz IXXHGHRIRWXEKU-AWEZNQCLSA-N 1 1 339.396 0.343 20 5 ECBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc([N+](=O)[O-])ccc2N)cn1 ZINC000375834529 301214572 /nfs/dbraw/zinc/21/45/72/301214572.db2.gz MWCSGLHDLIAIJW-AWEZNQCLSA-N 1 1 330.348 0.697 20 5 ECBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000376174083 301240273 /nfs/dbraw/zinc/24/02/73/301240273.db2.gz PAGLDXOZCMRFFX-RYUDHWBXSA-N 1 1 332.364 0.937 20 5 ECBDMO O=C(C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726453 301369422 /nfs/dbraw/zinc/36/94/22/301369422.db2.gz PJLUKBDPLAFGTO-JSGCOSHPSA-N 1 1 344.371 0.552 20 5 ECBDMO O=C(C[N@H+]1CC[C@@H]2C(=O)NC[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377726453 301369425 /nfs/dbraw/zinc/36/94/25/301369425.db2.gz PJLUKBDPLAFGTO-JSGCOSHPSA-N 1 1 344.371 0.552 20 5 ECBDMO CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000081524369 436348434 /nfs/dbraw/zinc/34/84/34/436348434.db2.gz PLTKKCHAHJKJKI-LLVKDONJSA-N 1 1 334.376 0.798 20 5 ECBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000531864954 302064610 /nfs/dbraw/zinc/06/46/10/302064610.db2.gz QKZQKSCMRIZEEU-VHSXEESVSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000531864954 302064611 /nfs/dbraw/zinc/06/46/11/302064611.db2.gz QKZQKSCMRIZEEU-VHSXEESVSA-N 1 1 326.378 0.893 20 5 ECBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000061524868 436636996 /nfs/dbraw/zinc/63/69/96/436636996.db2.gz AKQJMJWKRKWRCJ-UHFFFAOYSA-N 1 1 336.392 0.971 20 5 ECBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112924295 436635536 /nfs/dbraw/zinc/63/55/36/436635536.db2.gz KKHUCYBPIWMJPR-GFCCVEGCSA-N 1 1 330.348 1.000 20 5 ECBDMO COc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000066871008 436697901 /nfs/dbraw/zinc/69/79/01/436697901.db2.gz DBIDWWSIWJFGRM-UHFFFAOYSA-N 1 1 329.378 0.976 20 5 ECBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(CO)CO ZINC000273279664 436742591 /nfs/dbraw/zinc/74/25/91/436742591.db2.gz DDCZAHYCAWTMQT-LBPRGKRZSA-N 1 1 328.365 0.257 20 5 ECBDMO CC[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1CC(F)F ZINC000245722881 436766448 /nfs/dbraw/zinc/76/64/48/436766448.db2.gz HSRYUOSMENAHFG-WCQYABFASA-N 1 1 347.366 0.814 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000069499756 436775353 /nfs/dbraw/zinc/77/53/53/436775353.db2.gz FWNOUIAWXPCHNS-GFCCVEGCSA-N 1 1 325.369 0.408 20 5 ECBDMO COCC[N@@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000069485504 436775515 /nfs/dbraw/zinc/77/55/15/436775515.db2.gz CJZZLJODWZATGK-UHFFFAOYSA-N 1 1 325.365 0.840 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000126614973 436789590 /nfs/dbraw/zinc/78/95/90/436789590.db2.gz IBCSGBIFZKXUHP-JQWIXIFHSA-N 1 1 325.369 0.325 20 5 ECBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000126614973 436789592 /nfs/dbraw/zinc/78/95/92/436789592.db2.gz IBCSGBIFZKXUHP-JQWIXIFHSA-N 1 1 325.369 0.325 20 5 ECBDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000247220040 436789986 /nfs/dbraw/zinc/78/99/86/436789986.db2.gz YKWNAETVHSSBEJ-WCQYABFASA-N 1 1 340.380 0.816 20 5 ECBDMO C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000273964856 436790068 /nfs/dbraw/zinc/79/00/68/436790068.db2.gz GXDYIDUEWDTPMI-IINYFYTJSA-N 1 1 333.348 0.979 20 5 ECBDMO CN(C)c1[nH+]cc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1C ZINC000274040986 436794586 /nfs/dbraw/zinc/79/45/86/436794586.db2.gz XTZQCSICJIRARK-UHFFFAOYSA-N 1 1 339.377 0.873 20 5 ECBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293156246 436852822 /nfs/dbraw/zinc/85/28/22/436852822.db2.gz FGDBJHSVUSLNGR-JKSUJKDBSA-N 1 1 348.403 0.989 20 5 ECBDMO C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293357054 436869905 /nfs/dbraw/zinc/86/99/05/436869905.db2.gz OCQKLDMOOFSRTE-CVEARBPZSA-N 1 1 334.376 0.688 20 5 ECBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000157098295 436823680 /nfs/dbraw/zinc/82/36/80/436823680.db2.gz NHYIYPOUDXUZQO-TZMCWYRMSA-N 1 1 334.376 0.699 20 5 ECBDMO C[C@H]1C[N@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000298138847 437029236 /nfs/dbraw/zinc/02/92/36/437029236.db2.gz QPFSITTZXNQGCS-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]1C[N@@H+](CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)CCO1 ZINC000298138847 437029239 /nfs/dbraw/zinc/02/92/39/437029239.db2.gz QPFSITTZXNQGCS-AWEZNQCLSA-N 1 1 335.408 0.833 20 5 ECBDMO C[C@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ncc[nH]1 ZINC000285995020 437086577 /nfs/dbraw/zinc/08/65/77/437086577.db2.gz IHOHXJIJJNUKIB-JTQLQIEISA-N 1 1 339.377 0.947 20 5 ECBDMO CN1CCO[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000331884033 437174766 /nfs/dbraw/zinc/17/47/66/437174766.db2.gz FKWLNIYHOSYNGB-HUUCEWRRSA-N 1 1 334.376 0.938 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267095817 437289012 /nfs/dbraw/zinc/28/90/12/437289012.db2.gz MYMDTOXGTISXTN-JTQLQIEISA-N 1 1 338.364 0.856 20 5 ECBDMO CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000267095817 437289014 /nfs/dbraw/zinc/28/90/14/437289014.db2.gz MYMDTOXGTISXTN-JTQLQIEISA-N 1 1 338.364 0.856 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000182087874 437338082 /nfs/dbraw/zinc/33/80/82/437338082.db2.gz KKOZJZWRCPIXKB-LBPRGKRZSA-N 1 1 325.369 0.361 20 5 ECBDMO COC(=O)CC[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000182087590 437338249 /nfs/dbraw/zinc/33/82/49/437338249.db2.gz KNWGWVCJQWZJAX-LBPRGKRZSA-N 1 1 325.369 0.361 20 5 ECBDMO O=c1nc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH][nH]1 ZINC000289423029 437410329 /nfs/dbraw/zinc/41/03/29/437410329.db2.gz MXWBWMTXUWJKTC-SNVBAGLBSA-N 1 1 334.336 0.048 20 5 ECBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000338966006 437429661 /nfs/dbraw/zinc/42/96/61/437429661.db2.gz JZVGSGALEHWLQI-AWEZNQCLSA-N 1 1 348.403 0.841 20 5 ECBDMO CN(C)c1[nH+]cc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)n1C ZINC000269066923 437451124 /nfs/dbraw/zinc/45/11/24/437451124.db2.gz XRMRSDYOKDJZFD-UHFFFAOYSA-N 1 1 336.356 0.090 20 5 ECBDMO COc1ccc(NC(=O)C[NH2+][C@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000290033009 437458143 /nfs/dbraw/zinc/45/81/43/437458143.db2.gz CBODTVRGEOLENZ-AAEUAGOBSA-N 1 1 325.321 0.545 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290720851 437519405 /nfs/dbraw/zinc/51/94/05/437519405.db2.gz VNSAKKUKEKDKIV-UHFFFAOYSA-N 1 1 340.428 0.884 20 5 ECBDMO CCCc1n[nH]c(C(=O)NCCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000290720851 437519413 /nfs/dbraw/zinc/51/94/13/437519413.db2.gz VNSAKKUKEKDKIV-UHFFFAOYSA-N 1 1 340.428 0.884 20 5 ECBDMO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000188710730 437565710 /nfs/dbraw/zinc/56/57/10/437565710.db2.gz PTZTVHHQYZXTRV-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO C[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000188710730 437565713 /nfs/dbraw/zinc/56/57/13/437565713.db2.gz PTZTVHHQYZXTRV-ZDUSSCGKSA-N 1 1 336.392 0.556 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000330961907 437656898 /nfs/dbraw/zinc/65/68/98/437656898.db2.gz PXOJBWFRCHCRMD-ZYHUDNBSSA-N 1 1 338.412 0.990 20 5 ECBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000330961907 437656901 /nfs/dbraw/zinc/65/69/01/437656901.db2.gz PXOJBWFRCHCRMD-ZYHUDNBSSA-N 1 1 338.412 0.990 20 5 ECBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000354923117 437657640 /nfs/dbraw/zinc/65/76/40/437657640.db2.gz NBKSXGGBABBQGN-RYUDHWBXSA-N 1 1 340.332 0.074 20 5 ECBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000354923117 437657644 /nfs/dbraw/zinc/65/76/44/437657644.db2.gz NBKSXGGBABBQGN-RYUDHWBXSA-N 1 1 340.332 0.074 20 5 ECBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415596359 437827866 /nfs/dbraw/zinc/82/78/66/437827866.db2.gz CCYINAQYYVVYQY-UHFFFAOYSA-N 1 1 330.291 0.860 20 5 ECBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000364938008 437828233 /nfs/dbraw/zinc/82/82/33/437828233.db2.gz SKGTVXVHOMWOJK-CYBMUJFWSA-N 1 1 337.376 0.889 20 5 ECBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416317257 437915719 /nfs/dbraw/zinc/91/57/19/437915719.db2.gz WSFZVAPEASBPLU-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 ECBDMO CNc1nc(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000416317257 437915725 /nfs/dbraw/zinc/91/57/25/437915725.db2.gz WSFZVAPEASBPLU-GHMZBOCLSA-N 1 1 337.380 0.559 20 5 ECBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000416287572 437902409 /nfs/dbraw/zinc/90/24/09/437902409.db2.gz BZUGMEPMMPRPSB-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000416287572 437902415 /nfs/dbraw/zinc/90/24/15/437902415.db2.gz BZUGMEPMMPRPSB-STQMWFEESA-N 1 1 337.376 0.887 20 5 ECBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000371502096 437943737 /nfs/dbraw/zinc/94/37/37/437943737.db2.gz ZSLQVIPIEYFMRJ-NWDGAFQWSA-N 1 1 349.343 0.917 20 5 ECBDMO Cn1cc[nH+]c1N1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357487740 437998407 /nfs/dbraw/zinc/99/84/07/437998407.db2.gz PJXJAIGDMVGUJN-UHFFFAOYSA-N 1 1 331.336 0.149 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000366307626 438050214 /nfs/dbraw/zinc/05/02/14/438050214.db2.gz DUZQQACRQMEPSY-QWRGUYRKSA-N 1 1 346.343 0.518 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348760067 438094909 /nfs/dbraw/zinc/09/49/09/438094909.db2.gz FCCOIHAIEQITCH-ZIAGYGMSSA-N 1 1 337.376 0.351 20 5 ECBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000348760067 438094912 /nfs/dbraw/zinc/09/49/12/438094912.db2.gz FCCOIHAIEQITCH-ZIAGYGMSSA-N 1 1 337.376 0.351 20 5 ECBDMO O=C(CC[N@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000366336696 438055702 /nfs/dbraw/zinc/05/57/02/438055702.db2.gz YRYTZIAOYSJRND-QWHCGFSZSA-N 1 1 346.343 0.518 20 5 ECBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000372289939 438064485 /nfs/dbraw/zinc/06/44/85/438064485.db2.gz SVTPWFGBDRCRQO-NWDGAFQWSA-N 1 1 326.353 0.834 20 5 ECBDMO C[C@H]1C[N@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049887 438132507 /nfs/dbraw/zinc/13/25/07/438132507.db2.gz SFTSZKCMVYQGMQ-RYUDHWBXSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000358049887 438132511 /nfs/dbraw/zinc/13/25/11/438132511.db2.gz SFTSZKCMVYQGMQ-RYUDHWBXSA-N 1 1 342.421 0.413 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000358057181 438134967 /nfs/dbraw/zinc/13/49/67/438134967.db2.gz OTSTYJGOADAPJV-INIZCTEOSA-N 1 1 345.359 0.577 20 5 ECBDMO C[N@H+]1CC[C@](O)(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000358067626 438139249 /nfs/dbraw/zinc/13/92/49/438139249.db2.gz QDSYDSGFEFYYDE-INIZCTEOSA-N 1 1 332.360 0.732 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000358190593 438178658 /nfs/dbraw/zinc/17/86/58/438178658.db2.gz CMDYZSGATHNKRN-CQSZACIVSA-N 1 1 343.405 0.123 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000358213131 438184104 /nfs/dbraw/zinc/18/41/04/438184104.db2.gz OJYCFYLNQSGHMB-GFCCVEGCSA-N 1 1 349.796 0.593 20 5 ECBDMO C[C@H]1C[N@H+](C)C[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229853 438186221 /nfs/dbraw/zinc/18/62/21/438186221.db2.gz XQUVLAKLFRMDMB-FZMZJTMJSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@H]1C[N@@H+](C)C[C@@H]1NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000358229853 438186228 /nfs/dbraw/zinc/18/62/28/438186228.db2.gz XQUVLAKLFRMDMB-FZMZJTMJSA-N 1 1 342.421 0.413 20 5 ECBDMO C[C@@H]1C[N@@H+](CCCNc2ccc3ncc([N+](=O)[O-])n3n2)CCCO1 ZINC000432878653 438214501 /nfs/dbraw/zinc/21/45/01/438214501.db2.gz JJLRJCZUCOVLBC-GFCCVEGCSA-N 1 1 334.380 1.550 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358431468 438225944 /nfs/dbraw/zinc/22/59/44/438225944.db2.gz UGQYZWHTNVYSHR-GFCCVEGCSA-N 1 1 329.378 0.727 20 5 ECBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358431468 438225948 /nfs/dbraw/zinc/22/59/48/438225948.db2.gz UGQYZWHTNVYSHR-GFCCVEGCSA-N 1 1 329.378 0.727 20 5 ECBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000174337395 533696723 /nfs/dbraw/zinc/69/67/23/533696723.db2.gz VGILAKVIMWETBI-WDEREUQCSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000174337395 533696731 /nfs/dbraw/zinc/69/67/31/533696731.db2.gz VGILAKVIMWETBI-WDEREUQCSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000368637197 438356655 /nfs/dbraw/zinc/35/66/55/438356655.db2.gz JSQNXOHGHRRVCD-MXWKQRLJSA-N 1 1 346.343 0.516 20 5 ECBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000368637197 438356657 /nfs/dbraw/zinc/35/66/57/438356657.db2.gz JSQNXOHGHRRVCD-MXWKQRLJSA-N 1 1 346.343 0.516 20 5 ECBDMO NC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967310 438406463 /nfs/dbraw/zinc/40/64/63/438406463.db2.gz WQRBGFISRUHKMR-ZKYQVNSYSA-N 1 1 332.360 0.780 20 5 ECBDMO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000368967310 438406466 /nfs/dbraw/zinc/40/64/66/438406466.db2.gz WQRBGFISRUHKMR-ZKYQVNSYSA-N 1 1 332.360 0.780 20 5 ECBDMO CC1(C)C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000420953690 438450526 /nfs/dbraw/zinc/45/05/26/438450526.db2.gz ZQGRFIQFOXMZDO-ZFWWWQNUSA-N 1 1 340.376 0.806 20 5 ECBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](CO)O1 ZINC000420953690 438450531 /nfs/dbraw/zinc/45/05/31/438450531.db2.gz ZQGRFIQFOXMZDO-ZFWWWQNUSA-N 1 1 340.376 0.806 20 5 ECBDMO CNC(=O)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000420974996 438453917 /nfs/dbraw/zinc/45/39/17/438453917.db2.gz NLCLYYFPWUSAPY-RISCZKNCSA-N 1 1 332.360 0.768 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000369782040 438513644 /nfs/dbraw/zinc/51/36/44/438513644.db2.gz KZFPAZDMCSBARE-ZFWWWQNUSA-N 1 1 334.380 0.903 20 5 ECBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)CC ZINC000440076495 438531552 /nfs/dbraw/zinc/53/15/52/438531552.db2.gz JBTZIPWHFXAECA-UHFFFAOYSA-N 1 1 338.364 1.000 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000370044918 438546012 /nfs/dbraw/zinc/54/60/12/438546012.db2.gz IGOJVLJAPOLUFH-GFCCVEGCSA-N 1 1 337.380 0.399 20 5 ECBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000370044918 438546013 /nfs/dbraw/zinc/54/60/13/438546013.db2.gz IGOJVLJAPOLUFH-GFCCVEGCSA-N 1 1 337.380 0.399 20 5 ECBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000440828954 438566300 /nfs/dbraw/zinc/56/63/00/438566300.db2.gz CZVZUDGUVFQLSE-JTQLQIEISA-N 1 1 331.398 0.574 20 5 ECBDMO CCn1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000452104681 438640976 /nfs/dbraw/zinc/64/09/76/438640976.db2.gz MTRLXNJJPISRDM-NSHDSACASA-N 1 1 345.425 0.914 20 5 ECBDMO C[C@H]1[C@H](NC(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000494029168 438666888 /nfs/dbraw/zinc/66/68/88/438666888.db2.gz VGWLREWDSUZQHB-GXTWGEPZSA-N 1 1 344.375 0.966 20 5 ECBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]21 ZINC000451638093 438702259 /nfs/dbraw/zinc/70/22/59/438702259.db2.gz YWYXUSUHSXQAJJ-MFKMUULPSA-N 1 1 348.359 0.898 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000451664578 438704630 /nfs/dbraw/zinc/70/46/30/438704630.db2.gz OEJHAZDIYPHGHF-CYBMUJFWSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000451664578 438704633 /nfs/dbraw/zinc/70/46/33/438704633.db2.gz OEJHAZDIYPHGHF-CYBMUJFWSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000451672159 438705847 /nfs/dbraw/zinc/70/58/47/438705847.db2.gz RRYIYNUITDFYOY-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000451672159 438705851 /nfs/dbraw/zinc/70/58/51/438705851.db2.gz RRYIYNUITDFYOY-LBPRGKRZSA-N 1 1 343.405 0.720 20 5 ECBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)CC1 ZINC000455984267 438755634 /nfs/dbraw/zinc/75/56/34/438755634.db2.gz BQWRYVISJUKGIQ-LLVKDONJSA-N 1 1 337.380 0.560 20 5 ECBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000456221063 438764138 /nfs/dbraw/zinc/76/41/38/438764138.db2.gz FKVAHCBZKBDACG-PHIMTYICSA-N 1 1 347.375 0.998 20 5 ECBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1CCO ZINC000456221063 438764141 /nfs/dbraw/zinc/76/41/41/438764141.db2.gz FKVAHCBZKBDACG-PHIMTYICSA-N 1 1 347.375 0.998 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[N@@H+]4CCOC[C@H]4C3)cc2n(C)c1=O ZINC000588016737 438814101 /nfs/dbraw/zinc/81/41/01/438814101.db2.gz XAYJJSWKHULYNM-LLVKDONJSA-N 1 1 347.375 0.306 20 5 ECBDMO Cn1c2cc([N+](=O)[O-])c(N3CC[N@H+]4CCOC[C@H]4C3)cc2n(C)c1=O ZINC000588016737 438814109 /nfs/dbraw/zinc/81/41/09/438814109.db2.gz XAYJJSWKHULYNM-LLVKDONJSA-N 1 1 347.375 0.306 20 5 ECBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000588069893 438815407 /nfs/dbraw/zinc/81/54/07/438815407.db2.gz SKOCUKQWQNRMRI-RISCZKNCSA-N 1 1 336.392 0.969 20 5 ECBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000595728769 438851836 /nfs/dbraw/zinc/85/18/36/438851836.db2.gz OQKLYAAOEDLVAY-RDBSUJKOSA-N 1 1 349.387 0.935 20 5 ECBDMO CNc1nccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)c1[N+](=O)[O-] ZINC000564224814 438872860 /nfs/dbraw/zinc/87/28/60/438872860.db2.gz QFDZRLPQMYYZSA-LLVKDONJSA-N 1 1 337.380 0.608 20 5 ECBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458464199 438889727 /nfs/dbraw/zinc/88/97/27/438889727.db2.gz SYOGKHRWXGEPRY-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000458464199 438889731 /nfs/dbraw/zinc/88/97/31/438889731.db2.gz SYOGKHRWXGEPRY-CYBMUJFWSA-N 1 1 336.392 0.845 20 5 ECBDMO [NH3+][C@H]1CCC[C@H](NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000516877463 438932878 /nfs/dbraw/zinc/93/28/78/438932878.db2.gz GFCOVMUYRCAJIL-RYUDHWBXSA-N 1 1 342.421 0.733 20 5 ECBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596170140 438937491 /nfs/dbraw/zinc/93/74/91/438937491.db2.gz WZCIHEQCHQKMFB-GFCCVEGCSA-N 1 1 335.364 0.438 20 5 ECBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596279115 438950515 /nfs/dbraw/zinc/95/05/15/438950515.db2.gz PPGOVNIHNYQLSH-LLVKDONJSA-N 1 1 328.394 0.773 20 5 ECBDMO Cn1ncc2c1CC(C)(C)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000596599431 438979834 /nfs/dbraw/zinc/97/98/34/438979834.db2.gz ULOILTHEZBJTGE-CQSZACIVSA-N 1 1 348.407 0.970 20 5 ECBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000591477948 439019142 /nfs/dbraw/zinc/01/91/42/439019142.db2.gz HXKMMDHAKXFRMV-ZDUSSCGKSA-N 1 1 343.405 0.984 20 5 ECBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCNCC1 ZINC000591577155 439023478 /nfs/dbraw/zinc/02/34/78/439023478.db2.gz RBQNAMYFEDXKTN-LBPRGKRZSA-N 1 1 349.391 0.333 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000580423287 439088904 /nfs/dbraw/zinc/08/89/04/439088904.db2.gz MRURBJAPEBEJOI-SNVBAGLBSA-N 1 1 346.269 0.751 20 5 ECBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000597716972 439166279 /nfs/dbraw/zinc/16/62/79/439166279.db2.gz UTFGNYZAOIXQIB-MRXNPFEDSA-N 1 1 334.376 0.701 20 5 ECBDMO COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000592389585 439220680 /nfs/dbraw/zinc/22/06/80/439220680.db2.gz YJPDHEKNIASNJE-GFCCVEGCSA-N 1 1 343.361 0.120 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198516 439177947 /nfs/dbraw/zinc/17/79/47/439177947.db2.gz QZMMNAFBCDDZHB-VXGBXAGGSA-N 1 1 337.332 0.050 20 5 ECBDMO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000592198516 439177953 /nfs/dbraw/zinc/17/79/53/439177953.db2.gz QZMMNAFBCDDZHB-VXGBXAGGSA-N 1 1 337.332 0.050 20 5 ECBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(F)(F)C[NH3+] ZINC000592377319 439213931 /nfs/dbraw/zinc/21/39/31/439213931.db2.gz SVRHZBCYIALQDY-UHFFFAOYSA-N 1 1 325.293 0.476 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000593030036 439331687 /nfs/dbraw/zinc/33/16/87/439331687.db2.gz IGZADQQNUZEWGJ-PHIMTYICSA-N 1 1 333.300 0.086 20 5 ECBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)c1 ZINC000593030036 439331691 /nfs/dbraw/zinc/33/16/91/439331691.db2.gz IGZADQQNUZEWGJ-PHIMTYICSA-N 1 1 333.300 0.086 20 5 ECBDMO C[N@H+]1C[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000592881623 439296488 /nfs/dbraw/zinc/29/64/88/439296488.db2.gz MSJZCKQBWCEXGO-KGLIPLIRSA-N 1 1 344.375 0.648 20 5 ECBDMO COc1cc(CNCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599019609 439346171 /nfs/dbraw/zinc/34/61/71/439346171.db2.gz SHUDCNDYXBINJC-LBPRGKRZSA-N 1 1 325.365 0.768 20 5 ECBDMO COc1cc(CNCC[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OC ZINC000599019609 439346176 /nfs/dbraw/zinc/34/61/76/439346176.db2.gz SHUDCNDYXBINJC-LBPRGKRZSA-N 1 1 325.365 0.768 20 5 ECBDMO C[NH+]1CCN(C(=O)Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)CC1 ZINC000582545811 439350171 /nfs/dbraw/zinc/35/01/71/439350171.db2.gz JDDDHLSYMCHFMH-UHFFFAOYSA-N 1 1 347.331 0.186 20 5 ECBDMO [NH3+]CC1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCOCC1 ZINC000599101367 439357300 /nfs/dbraw/zinc/35/73/00/439357300.db2.gz CXAKBFRGHDOQNF-UHFFFAOYSA-N 1 1 333.341 0.520 20 5 ECBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593535207 439397077 /nfs/dbraw/zinc/39/70/77/439397077.db2.gz SRHRVDYMOQVWKJ-UHFFFAOYSA-N 1 1 325.350 0.863 20 5 ECBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000599245126 439397622 /nfs/dbraw/zinc/39/76/22/439397622.db2.gz QJUXIWKXVZRZHR-UWVGGRQHSA-N 1 1 331.398 0.432 20 5 ECBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000599245129 439398119 /nfs/dbraw/zinc/39/81/19/439398119.db2.gz QJUXIWKXVZRZHR-ZJUUUORDSA-N 1 1 331.398 0.432 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541507 439398233 /nfs/dbraw/zinc/39/82/33/439398233.db2.gz BOHISVRCRRPFOZ-LLVKDONJSA-N 1 1 344.393 0.379 20 5 ECBDMO COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593541507 439398238 /nfs/dbraw/zinc/39/82/38/439398238.db2.gz BOHISVRCRRPFOZ-LLVKDONJSA-N 1 1 344.393 0.379 20 5 ECBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000593560466 439405074 /nfs/dbraw/zinc/40/50/74/439405074.db2.gz OUVXKIWWTMGHRX-NXEZZACHSA-N 1 1 326.378 0.893 20 5 ECBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[N@H+]1C1CC1 ZINC000593560466 439405080 /nfs/dbraw/zinc/40/50/80/439405080.db2.gz OUVXKIWWTMGHRX-NXEZZACHSA-N 1 1 326.378 0.893 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](CCCO)C2)nc1 ZINC000593605137 439419507 /nfs/dbraw/zinc/41/95/07/439419507.db2.gz XXBBRIDKSHZGOR-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](CCCO)C2)nc1 ZINC000593605137 439419512 /nfs/dbraw/zinc/41/95/12/439419512.db2.gz XXBBRIDKSHZGOR-NSHDSACASA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2CCO)nc1 ZINC000593602791 439420738 /nfs/dbraw/zinc/42/07/38/439420738.db2.gz GZJLSGIRILINSA-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2CCO)nc1 ZINC000593602791 439420741 /nfs/dbraw/zinc/42/07/41/439420741.db2.gz GZJLSGIRILINSA-LLVKDONJSA-N 1 1 344.393 0.115 20 5 ECBDMO COc1ccc(CC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593855428 439478069 /nfs/dbraw/zinc/47/80/69/439478069.db2.gz PUXYZZQLTMFXON-CYBMUJFWSA-N 1 1 335.360 0.423 20 5 ECBDMO COc1ccc(CC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593855428 439478073 /nfs/dbraw/zinc/47/80/73/439478073.db2.gz PUXYZZQLTMFXON-CYBMUJFWSA-N 1 1 335.360 0.423 20 5 ECBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CCCO1 ZINC000583730417 439502659 /nfs/dbraw/zinc/50/26/59/439502659.db2.gz WLXMITLTFJEHIC-NSHDSACASA-N 1 1 325.369 0.559 20 5 ECBDMO NS(=O)(=O)NC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000599646259 439526003 /nfs/dbraw/zinc/52/60/03/439526003.db2.gz HGUMKIPSNOTPLO-UHFFFAOYSA-N 1 1 344.393 0.231 20 5 ECBDMO O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393481 439554178 /nfs/dbraw/zinc/55/41/78/439554178.db2.gz ONYCGXFHWJJCJI-LSDHHAIUSA-N 1 1 344.371 0.827 20 5 ECBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000594393457 439554472 /nfs/dbraw/zinc/55/44/72/439554472.db2.gz NMSTZGHHRQYXPD-QWHCGFSZSA-N 1 1 334.376 0.674 20 5 ECBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000599938603 439581767 /nfs/dbraw/zinc/58/17/67/439581767.db2.gz QMCDZRXWUOIZFN-STQMWFEESA-N 1 1 335.360 0.885 20 5 ECBDMO CCNC(=O)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000609766500 439587596 /nfs/dbraw/zinc/58/75/96/439587596.db2.gz YJASRHNGHPZFEM-UHFFFAOYSA-N 1 1 336.348 0.961 20 5 ECBDMO O=C(NCC[N@@H+]1CC[C@H](O)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000600808435 439704261 /nfs/dbraw/zinc/70/42/61/439704261.db2.gz OMTMEBKHZYGYAW-ZDUSSCGKSA-N 1 1 345.359 0.781 20 5 ECBDMO C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000611572442 439706723 /nfs/dbraw/zinc/70/67/23/439706723.db2.gz ARWMPDDJICBGRY-VXGBXAGGSA-N 1 1 336.396 0.956 20 5 ECBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000611335003 439691976 /nfs/dbraw/zinc/69/19/76/439691976.db2.gz XPOFVDXUKMVRSO-GFCCVEGCSA-N 1 1 336.396 0.180 20 5 ECBDMO COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000612786315 439741081 /nfs/dbraw/zinc/74/10/81/439741081.db2.gz HINIJDWZLTTXPK-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000612786315 439741082 /nfs/dbraw/zinc/74/10/82/439741082.db2.gz HINIJDWZLTTXPK-GFCCVEGCSA-N 1 1 343.405 0.984 20 5 ECBDMO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000345043172 321171910 /nfs/dbraw/zinc/17/19/10/321171910.db2.gz FPYYKBVRKWDRCW-CYBMUJFWSA-N 1 1 329.378 0.477 20 5 ECBDMO C[N@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000345043172 321171912 /nfs/dbraw/zinc/17/19/12/321171912.db2.gz FPYYKBVRKWDRCW-CYBMUJFWSA-N 1 1 329.378 0.477 20 5 ECBDMO O=C1CC[C@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476900 321223134 /nfs/dbraw/zinc/22/31/34/321223134.db2.gz JLUMGQKGQJOKGH-UONOGXRCSA-N 1 1 335.360 0.641 20 5 ECBDMO O=C1CC[C@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CCN12 ZINC000346476900 321223136 /nfs/dbraw/zinc/22/31/36/321223136.db2.gz JLUMGQKGQJOKGH-UONOGXRCSA-N 1 1 335.360 0.641 20 5 ECBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000545276766 322108494 /nfs/dbraw/zinc/10/84/94/322108494.db2.gz GCTRAISAXXYRNX-AWEZNQCLSA-N 1 1 340.380 0.424 20 5 ECBDMO CN1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000562990054 322291182 /nfs/dbraw/zinc/29/11/82/322291182.db2.gz WJACEBIJJUQENE-CYBMUJFWSA-N 1 1 341.389 0.579 20 5 ECBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000568981391 322639369 /nfs/dbraw/zinc/63/93/69/322639369.db2.gz RVDYIWKHVFWBOG-MRCXROJRSA-N 1 1 339.348 0.934 20 5 ECBDMO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@@H+]1CCO ZINC000187681511 533976524 /nfs/dbraw/zinc/97/65/24/533976524.db2.gz OVBFXQBGJHEKQD-XJKSGUPXSA-N 1 1 348.403 0.699 20 5 ECBDMO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+]1CCO ZINC000187681511 533976529 /nfs/dbraw/zinc/97/65/29/533976529.db2.gz OVBFXQBGJHEKQD-XJKSGUPXSA-N 1 1 348.403 0.699 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184069180 534319771 /nfs/dbraw/zinc/31/97/71/534319771.db2.gz WLRWALHFOXMBJO-UHFFFAOYSA-N 1 1 337.376 0.886 20 5 ECBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000184260232 529144282 /nfs/dbraw/zinc/14/42/82/529144282.db2.gz GDMDROPMQXFWGH-UHFFFAOYSA-N 1 1 335.408 0.934 20 5 ECBDMO COc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000619874127 546376177 /nfs/dbraw/zinc/37/61/77/546376177.db2.gz ZFABOZBMLOBLML-CYBMUJFWSA-N 1 1 334.376 0.723 20 5 ECBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000754786194 579423752 /nfs/dbraw/zinc/42/37/52/579423752.db2.gz SCWUGLLGKQOVKX-CYBMUJFWSA-N 1 1 334.376 0.865 20 5 ECBDMO COCC[N@H+]1CC[C@H](NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000730790493 578308982 /nfs/dbraw/zinc/30/89/82/578308982.db2.gz XPXPERASBSYFSQ-ZDUSSCGKSA-N 1 1 347.375 0.781 20 5 ECBDMO Cn1nc2c(cc1=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC2 ZINC000776274652 579279440 /nfs/dbraw/zinc/27/94/40/579279440.db2.gz BOJUWGRBTKVHOY-OAHLLOKOSA-N 1 1 330.344 0.780 20 5 ECBDMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000761104191 579521809 /nfs/dbraw/zinc/52/18/09/579521809.db2.gz CHAUSEQHXGYKKO-XJKSGUPXSA-N 1 1 348.403 0.699 20 5 ECBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2nn[nH]n2)c1 ZINC000738373501 579625106 /nfs/dbraw/zinc/62/51/06/579625106.db2.gz DWCXUFACBKJVSU-KOLCDFICSA-N 1 1 346.351 0.445 20 5 ECBDMO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000895167025 586167671 /nfs/dbraw/zinc/16/76/71/586167671.db2.gz TXRVMGUDVJEYEK-CYBMUJFWSA-N 1 1 338.412 0.537 20 5 ECBDMO COc1ccc([N+](=O)[O-])c(Cc2noc(CN3CC[NH2+]CC3=O)n2)c1 ZINC000843223270 589054916 /nfs/dbraw/zinc/05/49/16/589054916.db2.gz ODDMZOCNANIYSY-UHFFFAOYSA-N 1 1 347.331 0.509 20 5 ECBDMO COC(=O)[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C)C1 ZINC000839630837 586884881 /nfs/dbraw/zinc/88/48/81/586884881.db2.gz POOFWDJFLYKQKO-HIFRSBDPSA-N 1 1 337.376 0.665 20 5 ECBDMO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000824302752 587866562 /nfs/dbraw/zinc/86/65/62/587866562.db2.gz DECYCEBJPLKEPC-FZKCQIBNSA-N 1 1 331.372 0.976 20 5 ECBDMO COCC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)C[C@H]1C ZINC000826159883 588002730 /nfs/dbraw/zinc/00/27/30/588002730.db2.gz WJYMDMRKJQMNED-LLVKDONJSA-N 1 1 347.379 0.932 20 5 ECBDMO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847945939 589270882 /nfs/dbraw/zinc/27/08/82/589270882.db2.gz BBZAFUUFPBVVMB-CYBMUJFWSA-N 1 1 331.332 0.700 20 5 ECBDMO C[C@@H]([NH2+]C1CN(S(=O)(=O)N(C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858572213 589757540 /nfs/dbraw/zinc/75/75/40/589757540.db2.gz QDAQFICUMHMWDR-SECBINFHSA-N 1 1 343.409 0.318 20 5 ECBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000863317946 590002157 /nfs/dbraw/zinc/00/21/57/590002157.db2.gz RHCKFAKFMFNZEW-LLVKDONJSA-N 1 1 338.320 0.608 20 5 ECBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000863835118 590042523 /nfs/dbraw/zinc/04/25/23/590042523.db2.gz RHCKFAKFMFNZEW-NSHDSACASA-N 1 1 338.320 0.608 20 5 ECBDMO CC(C)(C)[N@@H+](CCS(C)(=O)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000131547013 590613306 /nfs/dbraw/zinc/61/33/06/590613306.db2.gz IFUCBNJTHHKPJH-GFCCVEGCSA-N 1 1 348.425 0.297 20 5 ECBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000886593563 590863354 /nfs/dbraw/zinc/86/33/54/590863354.db2.gz UMYUCMSIRLTKKM-CQSZACIVSA-N 1 1 336.392 0.945 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934262605 608805072 /nfs/dbraw/zinc/80/50/72/608805072.db2.gz LHSQOXKXBVKODK-CABCVRRESA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934262605 608805074 /nfs/dbraw/zinc/80/50/74/608805074.db2.gz LHSQOXKXBVKODK-CABCVRRESA-N 1 1 336.392 0.288 20 5 ECBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934262605 608805075 /nfs/dbraw/zinc/80/50/75/608805075.db2.gz LHSQOXKXBVKODK-CABCVRRESA-N 1 1 336.392 0.288 20 5 ECBDMO