smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[NH+]1CCOCC1 ZINC000578269508 375968361 /nfs/dbraw/zinc/96/83/61/375968361.db2.gz MPHOORIQFHSITK-UHFFFAOYSA-N 1 2 330.366 -0.010 20 5 EBBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000611018887 376411236 /nfs/dbraw/zinc/41/12/36/376411236.db2.gz JQEMLKXYNDZVCY-UHFFFAOYSA-N 1 2 330.366 -0.322 20 5 EBBDLO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000611018887 376411242 /nfs/dbraw/zinc/41/12/42/376411242.db2.gz JQEMLKXYNDZVCY-UHFFFAOYSA-N 1 2 330.366 -0.322 20 5 EBBDLO CCn1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC000611107628 376428123 /nfs/dbraw/zinc/42/81/23/376428123.db2.gz AQJMPSSSVBGREP-NXEZZACHSA-N 1 2 347.397 -0.191 20 5 EBBDLO CCn1cc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC000611107628 376428131 /nfs/dbraw/zinc/42/81/31/376428131.db2.gz AQJMPSSSVBGREP-NXEZZACHSA-N 1 2 347.397 -0.191 20 5 EBBDLO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000588864234 376397702 /nfs/dbraw/zinc/39/77/02/376397702.db2.gz ASDZPNPXBUCYGS-SNVBAGLBSA-N 1 2 345.377 -0.349 20 5 EBBDLO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC000479009860 376642683 /nfs/dbraw/zinc/64/26/83/376642683.db2.gz CVNQWPKRNNANQG-LLVKDONJSA-N 1 2 339.352 -0.119 20 5 EBBDLO Cn1cc(C[NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cn1 ZINC000145323165 377033593 /nfs/dbraw/zinc/03/35/93/377033593.db2.gz XBERKBKGTIVQHL-UHFFFAOYSA-N 1 2 333.352 -0.131 20 5 EBBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000593653450 377902793 /nfs/dbraw/zinc/90/27/93/377902793.db2.gz YDXZMEGTEMCUGR-LLVKDONJSA-N 1 2 328.350 -0.571 20 5 EBBDLO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000593653450 377902799 /nfs/dbraw/zinc/90/27/99/377902799.db2.gz YDXZMEGTEMCUGR-LLVKDONJSA-N 1 2 328.350 -0.571 20 5 EBBDLO C[N@@H+]1CCO[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598592377 378172644 /nfs/dbraw/zinc/17/26/44/378172644.db2.gz KEORQGVODUVTFP-LLVKDONJSA-N 1 2 338.368 -0.036 20 5 EBBDLO C[N@H+]1CCO[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598592377 378172648 /nfs/dbraw/zinc/17/26/48/378172648.db2.gz KEORQGVODUVTFP-LLVKDONJSA-N 1 2 338.368 -0.036 20 5 EBBDLO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599328835 378230373 /nfs/dbraw/zinc/23/03/73/378230373.db2.gz VUZJNUJXXQVXDN-NXEZZACHSA-N 1 2 347.397 -0.596 20 5 EBBDLO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599328835 378230379 /nfs/dbraw/zinc/23/03/79/378230379.db2.gz VUZJNUJXXQVXDN-NXEZZACHSA-N 1 2 347.397 -0.596 20 5 EBBDLO CCn1cc(S(=O)(=O)N2CC[N@H+](CCO)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000568413027 378385075 /nfs/dbraw/zinc/38/50/75/378385075.db2.gz RQYPLUOEWXAYHG-SNVBAGLBSA-N 1 2 347.397 -0.502 20 5 EBBDLO CCn1cc(S(=O)(=O)N2CC[N@@H+](CCO)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000568413027 378385082 /nfs/dbraw/zinc/38/50/82/378385082.db2.gz RQYPLUOEWXAYHG-SNVBAGLBSA-N 1 2 347.397 -0.502 20 5 EBBDLO NS(=O)(=O)c1cccc(NC[C@@H]2C[NH+]3CCN2CC3)c1[N+](=O)[O-] ZINC000273514888 379190519 /nfs/dbraw/zinc/19/05/19/379190519.db2.gz VLOQNWPTYWUXHK-SNVBAGLBSA-N 1 2 341.393 -0.346 20 5 EBBDLO CNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000368838894 379376130 /nfs/dbraw/zinc/37/61/30/379376130.db2.gz POXWPIDFUQMKDS-UHFFFAOYSA-N 1 2 338.368 -0.620 20 5 EBBDLO CNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000368838894 379376140 /nfs/dbraw/zinc/37/61/40/379376140.db2.gz POXWPIDFUQMKDS-UHFFFAOYSA-N 1 2 338.368 -0.620 20 5 EBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000619873713 379381641 /nfs/dbraw/zinc/38/16/41/379381641.db2.gz RAUYFDIBXLBMKA-ZDUSSCGKSA-N 1 2 336.396 -0.004 20 5 EBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CN2CC[N@H+]1CCC2 ZINC000619873713 379381645 /nfs/dbraw/zinc/38/16/45/379381645.db2.gz RAUYFDIBXLBMKA-ZDUSSCGKSA-N 1 2 336.396 -0.004 20 5 EBBDLO O=C(C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)N1CCNC(=O)C1 ZINC000078461296 379369408 /nfs/dbraw/zinc/36/94/08/379369408.db2.gz XGQYOEAIFLQQHL-UHFFFAOYSA-N 1 2 347.375 -0.325 20 5 EBBDLO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(CCO)CC1 ZINC000194361742 381058485 /nfs/dbraw/zinc/05/84/85/381058485.db2.gz OTAUZVOALSRTQU-ZDUSSCGKSA-N 1 2 325.365 -0.056 20 5 EBBDLO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000582904291 381084841 /nfs/dbraw/zinc/08/48/41/381084841.db2.gz KGYYYYOOLAKBLK-SNVBAGLBSA-N 1 2 349.347 -0.268 20 5 EBBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000130737531 381151038 /nfs/dbraw/zinc/15/10/38/381151038.db2.gz MIGQXQVUTHVIAH-JTQLQIEISA-N 1 2 338.368 -0.010 20 5 EBBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000130737531 381151047 /nfs/dbraw/zinc/15/10/47/381151047.db2.gz MIGQXQVUTHVIAH-JTQLQIEISA-N 1 2 338.368 -0.010 20 5 EBBDLO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130737531 381151052 /nfs/dbraw/zinc/15/10/52/381151052.db2.gz MIGQXQVUTHVIAH-JTQLQIEISA-N 1 2 338.368 -0.010 20 5 EBBDLO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130737531 381151056 /nfs/dbraw/zinc/15/10/56/381151056.db2.gz MIGQXQVUTHVIAH-JTQLQIEISA-N 1 2 338.368 -0.010 20 5 EBBDLO Cc1c(C(=O)N2CC[NH+](C)CC2)cc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265445174 154317931 /nfs/dbraw/zinc/31/79/31/154317931.db2.gz RKYBFXKWCHWCMO-UHFFFAOYSA-N 1 2 342.377 -0.062 20 5 EBBDLO CCOC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000266434510 154345467 /nfs/dbraw/zinc/34/54/67/154345467.db2.gz LISOVRGYXBONSY-LBPRGKRZSA-N 1 2 327.341 -0.074 20 5 EBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000267511175 154378537 /nfs/dbraw/zinc/37/85/37/154378537.db2.gz BVDOGFMCWBRJBW-LBPRGKRZSA-N 1 2 338.364 -0.177 20 5 EBBDLO CNS(=O)(=O)N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296028979 155074272 /nfs/dbraw/zinc/07/42/72/155074272.db2.gz RXDDSJAKTGDXDE-CYBMUJFWSA-N 1 2 344.393 -0.290 20 5 EBBDLO CS(=O)(=O)NCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298056029 155098705 /nfs/dbraw/zinc/09/87/05/155098705.db2.gz JKURHQOEBGETMT-UHFFFAOYSA-N 1 2 329.382 -0.339 20 5 EBBDLO NC(=O)CN1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342653456 156047347 /nfs/dbraw/zinc/04/73/47/156047347.db2.gz ALERZCQFDHTTIU-GFCCVEGCSA-N 1 2 338.364 -0.563 20 5 EBBDLO CC(=O)N1CC[NH+](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357314361 157134780 /nfs/dbraw/zinc/13/47/80/157134780.db2.gz MCGPCPJDDMJPMI-UHFFFAOYSA-N 1 2 336.352 -0.335 20 5 EBBDLO CN1CC[N@H+](C)C[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821627392 583796809 /nfs/dbraw/zinc/79/68/09/583796809.db2.gz ZDMUUXCPBPKYBM-VIFPVBQESA-N 1 2 333.356 -0.172 20 5 EBBDLO CN1CC[N@@H+](C)C[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821627392 583796810 /nfs/dbraw/zinc/79/68/10/583796810.db2.gz ZDMUUXCPBPKYBM-VIFPVBQESA-N 1 2 333.356 -0.172 20 5 EBBDLO CN1CC[N@H+](C)[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821627392 583796812 /nfs/dbraw/zinc/79/68/12/583796812.db2.gz ZDMUUXCPBPKYBM-VIFPVBQESA-N 1 2 333.356 -0.172 20 5 EBBDLO CN1CC[N@@H+](C)[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821627392 583796814 /nfs/dbraw/zinc/79/68/14/583796814.db2.gz ZDMUUXCPBPKYBM-VIFPVBQESA-N 1 2 333.356 -0.172 20 5 EBBDLO Cn1c[nH+]cc1CC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000941011709 653377090 /nfs/dbraw/zinc/37/70/90/653377090.db2.gz IWRMNDIXHNXMCN-CHWSQXEVSA-N 1 2 335.364 -0.311 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1CN1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC000957332577 722197417 /nfs/dbraw/zinc/19/74/17/722197417.db2.gz VZNWGORIHNNXJV-UHFFFAOYSA-N 1 2 347.379 -0.051 20 5 EBBDLO Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@H]2C1 ZINC000961555787 723037702 /nfs/dbraw/zinc/03/77/02/723037702.db2.gz YLNJKXRZPUUGHN-GFQSEFKGSA-N 1 2 347.375 -0.157 20 5 EBBDLO Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001019242081 728835935 /nfs/dbraw/zinc/83/59/35/728835935.db2.gz OISUIOZMQKDICT-DGCLKSJQSA-N 1 2 347.375 -0.013 20 5 EBBDLO COCCc1noc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139104 729081508 /nfs/dbraw/zinc/08/15/08/729081508.db2.gz QPGPNUNXSWUWOA-GWOFURMSSA-N 1 2 339.352 -0.340 20 5 EBBDLO CC(C)(C)n1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063724 729451690 /nfs/dbraw/zinc/45/16/90/729451690.db2.gz JANNTWLZLYYWHN-LMLFDSFASA-N 1 2 337.384 -0.170 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001025691940 730072563 /nfs/dbraw/zinc/07/25/63/730072563.db2.gz PKPMWXJAFQCLQF-IAZYJMLFSA-N 1 2 331.336 -0.088 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC001025691940 730072567 /nfs/dbraw/zinc/07/25/67/730072567.db2.gz PKPMWXJAFQCLQF-IAZYJMLFSA-N 1 2 331.336 -0.088 20 5 EBBDLO CN(C(=O)Cc1c[nH+]cn1C)C1CN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001044185763 733322727 /nfs/dbraw/zinc/32/27/27/733322727.db2.gz BVPOZJVLKSEKMG-UHFFFAOYSA-N 1 2 347.379 -0.053 20 5 EBBDLO Nc1nc(N2CCN(C(=O)Cn3cc[nH+]c3)CC2)ncc1[N+](=O)[O-] ZINC001055842602 736514160 /nfs/dbraw/zinc/51/41/60/736514160.db2.gz ZKNBUEYNQLWFOK-UHFFFAOYSA-N 1 2 332.324 -0.488 20 5 EBBDLO O=C(C[N@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCC1 ZINC000981764981 806271281 /nfs/dbraw/zinc/27/12/81/806271281.db2.gz LYNUGYONCIHWMY-CHWSQXEVSA-N 1 2 336.392 -0.192 20 5 EBBDLO O=C(C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1)N1CCC1 ZINC000981764981 806271289 /nfs/dbraw/zinc/27/12/89/806271289.db2.gz LYNUGYONCIHWMY-CHWSQXEVSA-N 1 2 336.392 -0.192 20 5 EBBDLO COCCCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227253245 811913129 /nfs/dbraw/zinc/91/31/29/811913129.db2.gz WUSGIHWUUJAXBC-CHWSQXEVSA-N 1 2 342.396 -0.615 20 5 EBBDLO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCN(C)CC1 ZINC001230194780 812086824 /nfs/dbraw/zinc/08/68/24/812086824.db2.gz HHCRESYMJQMWTA-GFCCVEGCSA-N 1 2 339.400 -0.274 20 5 EBBDLO CCN(CC[NH2+]Cc1cc(=O)n2[nH]ccc2n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450529 814247250 /nfs/dbraw/zinc/24/72/50/814247250.db2.gz XEYGQENSRTWGLJ-VXGBXAGGSA-N 1 2 348.363 -0.374 20 5 EBBDLO COCC(=O)NC1(CO)CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001274885577 817105736 /nfs/dbraw/zinc/10/57/36/817105736.db2.gz NYAUBWPNEWMFFO-UHFFFAOYSA-N 1 2 341.368 -0.582 20 5 EBBDLO COCC(=O)NCC[NH+]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001096267844 818762659 /nfs/dbraw/zinc/76/26/59/818762659.db2.gz MFIXWTZSYYSMGQ-UHFFFAOYSA-N 1 2 339.352 -0.420 20 5 EBBDLO Cn1[nH]c(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1=O ZINC001164491059 832191656 /nfs/dbraw/zinc/19/16/56/832191656.db2.gz YTEXMQDGFKDWFA-NXEZZACHSA-N 1 2 338.368 -0.850 20 5 EBBDLO C[S@](=O)CC[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001167686622 832364184 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C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599333256 378232091 /nfs/dbraw/zinc/23/20/91/378232091.db2.gz ZXSWGQBSFIDPCH-VIFPVBQESA-N 1 2 333.370 -0.985 20 5 EBBDLO CN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905343 378379847 /nfs/dbraw/zinc/37/98/47/378379847.db2.gz NEBFYBKNNOGPDU-CHWSQXEVSA-N 1 2 325.365 -0.057 20 5 EBBDLO CN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602905343 378379851 /nfs/dbraw/zinc/37/98/51/378379851.db2.gz NEBFYBKNNOGPDU-CHWSQXEVSA-N 1 2 325.365 -0.057 20 5 EBBDLO CC(=O)N1CC[NH+](CCNC(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000068426790 379071158 /nfs/dbraw/zinc/07/11/58/379071158.db2.gz USZYVAXZONKQKV-UHFFFAOYSA-N 1 2 338.368 -0.538 20 5 EBBDLO NS(=O)(=O)N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052488093 379162450 /nfs/dbraw/zinc/16/24/50/379162450.db2.gz OJHPEFQDTACFAV-UHFFFAOYSA-N 1 2 330.366 -0.205 20 5 EBBDLO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CN2CC[N@@H+]1CCC2 ZINC000619873799 379380920 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EBBDLO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000174819260 154106682 /nfs/dbraw/zinc/10/66/82/154106682.db2.gz FAPWFKOWJROQPN-NSHDSACASA-N 1 2 332.382 -0.073 20 5 EBBDLO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCS(=O)(=O)C1 ZINC000174819260 154106689 /nfs/dbraw/zinc/10/66/89/154106689.db2.gz FAPWFKOWJROQPN-NSHDSACASA-N 1 2 332.382 -0.073 20 5 EBBDLO Cc1nn(CCC(=O)NC[C@@H]2C[NH+]3CCN2CC3)c(C)c1[N+](=O)[O-] ZINC000178730464 154120137 /nfs/dbraw/zinc/12/01/37/154120137.db2.gz OFDFXXIVTSAXDM-CYBMUJFWSA-N 1 2 336.396 -0.086 20 5 EBBDLO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000265295585 154309692 /nfs/dbraw/zinc/30/96/92/154309692.db2.gz LISJYUXXENOYLV-LLVKDONJSA-N 1 2 342.377 -0.183 20 5 EBBDLO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000265295585 154309696 /nfs/dbraw/zinc/30/96/96/154309696.db2.gz LISJYUXXENOYLV-LLVKDONJSA-N 1 2 342.377 -0.183 20 5 EBBDLO CC(C)(C(N)=O)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000267479535 154376078 /nfs/dbraw/zinc/37/60/78/154376078.db2.gz BRUGZRQUCOHHQY-UHFFFAOYSA-N 1 2 336.352 -0.525 20 5 EBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000267547617 154380528 /nfs/dbraw/zinc/38/05/28/154380528.db2.gz AOMYCBRCJJZMDR-LBPRGKRZSA-N 1 2 338.364 -0.058 20 5 EBBDLO NC(=O)CN1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000342653457 156047786 /nfs/dbraw/zinc/04/77/86/156047786.db2.gz ALERZCQFDHTTIU-LBPRGKRZSA-N 1 2 338.364 -0.563 20 5 EBBDLO COCCC(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000355728701 157021301 /nfs/dbraw/zinc/02/13/01/157021301.db2.gz KVZMSLGTZJZJNV-ZDUSSCGKSA-N 1 2 341.368 -0.667 20 5 EBBDLO Cc1n[nH]c(C(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000359794258 418953758 /nfs/dbraw/zinc/95/37/58/418953758.db2.gz BVTOVOPZJUCYIN-ZDUSSCGKSA-N 1 2 327.341 -0.561 20 5 EBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420605005 420913273 /nfs/dbraw/zinc/91/32/73/420913273.db2.gz 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Nc1nc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2c[nH]c[nH+]2)ncc1[N+](=O)[O-] ZINC001060480123 738371501 /nfs/dbraw/zinc/37/15/01/738371501.db2.gz FLUPWJHMBQDBKT-GDGBQDQQSA-N 1 2 344.335 -0.516 20 5 EBBDLO CCN(C(=O)Cn1cc[nH+]c1C)C1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001079806148 811734630 /nfs/dbraw/zinc/73/46/30/811734630.db2.gz SXNDWMPHMPKJFQ-CHWSQXEVSA-N 1 2 335.364 -0.084 20 5 EBBDLO C[N+](C)(C)CCCO[C@@H](C[NH+]1CCOCC1)CS(=O)(=O)[O-] ZINC001224624551 811768724 /nfs/dbraw/zinc/76/87/24/811768724.db2.gz XFCLNVJHYRTQDB-ZDUSSCGKSA-O 1 2 325.451 -0.312 20 5 EBBDLO C[C@@H](Cn1cc[nH+]c1)NC(=O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001257207208 812754760 /nfs/dbraw/zinc/75/47/60/812754760.db2.gz OUWWRXNUIIEDCQ-JTQLQIEISA-N 1 2 335.324 -0.691 20 5 EBBDLO CN(CCCNC(=O)Cc1[nH]cc[nH+]1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001095617569 818658736 /nfs/dbraw/zinc/65/87/36/818658736.db2.gz LCXIMCQSQXLBEM-UHFFFAOYSA-N 1 2 334.340 -0.125 20 5 EBBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)n1 ZINC001301182457 821746595 /nfs/dbraw/zinc/74/65/95/821746595.db2.gz WGFPRIWWMZZEGW-UHFFFAOYSA-N 1 2 339.352 -0.010 20 5 EBBDLO CCn1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)n1 ZINC001301182457 821746599 /nfs/dbraw/zinc/74/65/99/821746599.db2.gz WGFPRIWWMZZEGW-UHFFFAOYSA-N 1 2 339.352 -0.010 20 5 EBBDLO C[N@@H+]1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@@H](CO)C1 ZINC001301605215 821748524 /nfs/dbraw/zinc/74/85/24/821748524.db2.gz FVXVQLRNFXUPGR-GFCCVEGCSA-N 1 2 346.347 -0.076 20 5 EBBDLO C[N@H+]1CCN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)[C@@H](CO)C1 ZINC001301605215 821748530 /nfs/dbraw/zinc/74/85/30/821748530.db2.gz FVXVQLRNFXUPGR-GFCCVEGCSA-N 1 2 346.347 -0.076 20 5 EBBDLO O=C(NC/C=C/C[NH2+]Cc1nnc2n1CCOC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321050623 838892116 /nfs/dbraw/zinc/89/21/16/838892116.db2.gz FXOLWRZCPDLGTM-COUIAZAYSA-N 1 2 336.352 -0.765 20 5 EBBDLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC001332417434 841637932 /nfs/dbraw/zinc/63/79/32/841637932.db2.gz VASGTASMBOZSPF-VIFPVBQESA-N 1 2 325.325 -0.386 20 5 EBBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000593553727 377890964 /nfs/dbraw/zinc/89/09/64/377890964.db2.gz OIDAUUZOOYQOIS-JTQLQIEISA-N 1 2 330.366 -0.323 20 5 EBBDLO C[C@H](CN1CC[NH+](C)CC1)NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594755788 377951026 /nfs/dbraw/zinc/95/10/26/377951026.db2.gz YOCNZARVDNMKNS-LLVKDONJSA-N 1 2 343.409 -0.096 20 5 EBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596620807 378066912 /nfs/dbraw/zinc/06/69/12/378066912.db2.gz GIVCCXCGPHFPGR-FOGDFJRCSA-N 1 2 325.321 -0.745 20 5 EBBDLO NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000596620807 378066919 /nfs/dbraw/zinc/06/69/19/378066919.db2.gz GIVCCXCGPHFPGR-FOGDFJRCSA-N 1 2 325.321 -0.745 20 5 EBBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595568528 378019733 /nfs/dbraw/zinc/01/97/33/378019733.db2.gz VYIALQVUPQTJIA-LBPRGKRZSA-N 1 2 338.368 -0.093 20 5 EBBDLO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000597654146 378124207 /nfs/dbraw/zinc/12/42/07/378124207.db2.gz OYOVNOFJLLUPKZ-SECBINFHSA-N 1 2 345.377 -0.349 20 5 EBBDLO COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599231930 378211985 /nfs/dbraw/zinc/21/19/85/378211985.db2.gz DPAWFMAHGXAYNJ-JTQLQIEISA-N 1 2 347.397 -0.283 20 5 EBBDLO COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000599231930 378211991 /nfs/dbraw/zinc/21/19/91/378211991.db2.gz DPAWFMAHGXAYNJ-JTQLQIEISA-N 1 2 347.397 -0.283 20 5 EBBDLO O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C[C@H](O)C[NH+]1CCOCC1 ZINC000066237511 379046168 /nfs/dbraw/zinc/04/61/68/379046168.db2.gz YIBHPBCTVAAISJ-LLVKDONJSA-N 1 2 335.316 -0.116 20 5 EBBDLO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@@H+]1CCO ZINC000490075751 379563821 /nfs/dbraw/zinc/56/38/21/379563821.db2.gz ZEPAZDNXWIIMGH-JTQLQIEISA-N 1 2 344.393 -0.255 20 5 EBBDLO C[C@H]1CN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC[N@H+]1CCO ZINC000490075751 379563828 /nfs/dbraw/zinc/56/38/28/379563828.db2.gz ZEPAZDNXWIIMGH-JTQLQIEISA-N 1 2 344.393 -0.255 20 5 EBBDLO CCc1n[nH]c(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000271114634 379750761 /nfs/dbraw/zinc/75/07/61/379750761.db2.gz JPFIRZWOVAFINV-SNVBAGLBSA-N 1 2 341.368 -0.355 20 5 EBBDLO CCc1[nH]nc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000271114634 379750770 /nfs/dbraw/zinc/75/07/70/379750770.db2.gz JPFIRZWOVAFINV-SNVBAGLBSA-N 1 2 341.368 -0.355 20 5 EBBDLO CNC(=O)[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272865882 380871264 /nfs/dbraw/zinc/87/12/64/380871264.db2.gz MZJJLSIBHXEUKC-JSGCOSHPSA-N 1 2 339.348 -0.219 20 5 EBBDLO CNC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272865882 380871277 /nfs/dbraw/zinc/87/12/77/380871277.db2.gz MZJJLSIBHXEUKC-JSGCOSHPSA-N 1 2 339.348 -0.219 20 5 EBBDLO O=C1NC[C@@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000269636749 381112998 /nfs/dbraw/zinc/11/29/98/381112998.db2.gz HSAYBJDADHUINY-CHWSQXEVSA-N 1 2 334.332 -0.729 20 5 EBBDLO O=C1NC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000269636749 381113005 /nfs/dbraw/zinc/11/30/05/381113005.db2.gz HSAYBJDADHUINY-CHWSQXEVSA-N 1 2 334.332 -0.729 20 5 EBBDLO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+](CCO)CC1 ZINC000349079098 381146379 /nfs/dbraw/zinc/14/63/79/381146379.db2.gz RZLBVOIOITTYBP-UHFFFAOYSA-N 1 2 336.348 -0.022 20 5 EBBDLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000351504221 381962757 /nfs/dbraw/zinc/96/27/57/381962757.db2.gz IAEHCQRJRINAJK-SECBINFHSA-N 1 2 326.309 -0.882 20 5 EBBDLO Nc1nc(NCC[NH+]2CCN(c3ncccn3)CC2)ncc1[N+](=O)[O-] ZINC000301089804 155167860 /nfs/dbraw/zinc/16/78/60/155167860.db2.gz MQSLMMHGBPLFBP-UHFFFAOYSA-N 1 2 345.367 -0.009 20 5 EBBDLO Nc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000247635529 154187646 /nfs/dbraw/zinc/18/76/46/154187646.db2.gz DMCLFRPAABIHPO-UHFFFAOYSA-N 1 2 335.368 -0.289 20 5 EBBDLO NC(=O)NC(=O)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293201562 155045101 /nfs/dbraw/zinc/04/51/01/155045101.db2.gz QVJLTTSZWBCCLC-UHFFFAOYSA-N 1 2 349.347 -0.062 20 5 EBBDLO Cn1ncc(C[NH2+]CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000293449164 155046968 /nfs/dbraw/zinc/04/69/68/155046968.db2.gz CJFZIJLLGJXIGP-UHFFFAOYSA-N 1 2 340.365 -0.209 20 5 EBBDLO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000357887561 157185149 /nfs/dbraw/zinc/18/51/49/157185149.db2.gz JEXLYOSQRNKELU-LLVKDONJSA-N 1 2 342.377 -0.053 20 5 EBBDLO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2CS(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000357887561 157185151 /nfs/dbraw/zinc/18/51/51/157185151.db2.gz JEXLYOSQRNKELU-LLVKDONJSA-N 1 2 342.377 -0.053 20 5 EBBDLO C[C@H](C(N)=O)[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420970602 420914846 /nfs/dbraw/zinc/91/48/46/420914846.db2.gz GCEWHNBJZVEFKS-SECBINFHSA-N 1 2 330.366 -0.321 20 5 EBBDLO C[C@H](C(N)=O)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420970602 420914848 /nfs/dbraw/zinc/91/48/48/420914848.db2.gz GCEWHNBJZVEFKS-SECBINFHSA-N 1 2 330.366 -0.321 20 5 EBBDLO NC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737752467 583025694 /nfs/dbraw/zinc/02/56/94/583025694.db2.gz GVPFFUXENBVEKQ-UHFFFAOYSA-N 1 2 347.339 -0.833 20 5 EBBDLO NC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737752467 583025695 /nfs/dbraw/zinc/02/56/95/583025695.db2.gz GVPFFUXENBVEKQ-UHFFFAOYSA-N 1 2 347.339 -0.833 20 5 EBBDLO COC(=O)CN(CC[NH+]1CCOCC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000779863384 583441455 /nfs/dbraw/zinc/44/14/55/583441455.db2.gz OOUZMXFYJIMCON-UHFFFAOYSA-N 1 2 341.368 -0.136 20 5 EBBDLO C[C@H](OC(=O)c1ccc([N+](=O)[O-])[nH]1)C(=O)NCC[NH+]1CCOCC1 ZINC000805975487 583555859 /nfs/dbraw/zinc/55/58/59/583555859.db2.gz QPKDDGSTPXOQFI-JTQLQIEISA-N 1 2 340.336 -0.083 20 5 EBBDLO COC(=O)[C@H](Cn1cc[nH+]c1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000807282051 583659867 /nfs/dbraw/zinc/65/98/67/583659867.db2.gz CLIRLVSBNGKLPM-VIFPVBQESA-N 1 2 335.276 -0.137 20 5 EBBDLO Cn1c[nH+]cc1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000976485558 726326183 /nfs/dbraw/zinc/32/61/83/726326183.db2.gz ZWPNTPFRWWUROO-VVSAWPALSA-N 1 2 347.375 -0.409 20 5 EBBDLO O=C(Cn1c[nH+]c2c1CCCC2)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000996110398 726332822 /nfs/dbraw/zinc/33/28/22/726332822.db2.gz HTXAKNIEHKMBPF-BXUZGUMPSA-N 1 2 347.375 -0.246 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001026069940 730120032 /nfs/dbraw/zinc/12/00/32/730120032.db2.gz QRZSIQIRNDBVJD-PJXYFTJBSA-N 1 2 343.347 -0.022 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnnc1 ZINC001026069940 730120034 /nfs/dbraw/zinc/12/00/34/730120034.db2.gz QRZSIQIRNDBVJD-PJXYFTJBSA-N 1 2 343.347 -0.022 20 5 EBBDLO Cn1ncnc1C[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001050517091 734916500 /nfs/dbraw/zinc/91/65/00/734916500.db2.gz PCIYLOBLEGAVPF-VXGBXAGGSA-N 1 2 334.380 -0.095 20 5 EBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981138691 806091610 /nfs/dbraw/zinc/09/16/10/806091610.db2.gz YMNVXOXODRRLKF-VXGBXAGGSA-N 1 2 325.369 -0.789 20 5 EBBDLO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981138691 806091620 /nfs/dbraw/zinc/09/16/20/806091620.db2.gz YMNVXOXODRRLKF-VXGBXAGGSA-N 1 2 325.369 -0.789 20 5 EBBDLO Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000978803234 804986891 /nfs/dbraw/zinc/98/68/91/804986891.db2.gz HFCQDRDMUUYNQT-YVECIDJPSA-N 1 2 335.364 -0.132 20 5 EBBDLO Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000979747155 805526440 /nfs/dbraw/zinc/52/64/40/805526440.db2.gz JPTOPGMSKJJLMS-FDYHWXHSSA-N 1 2 335.364 -0.132 20 5 EBBDLO Cn1c[nH+]cc1CCC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001001807623 809680183 /nfs/dbraw/zinc/68/01/83/809680183.db2.gz PWZHGMUZNSEAJS-CHWSQXEVSA-N 1 2 335.364 -0.408 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)Cn1cncn1 ZINC001265968800 813428873 /nfs/dbraw/zinc/42/88/73/813428873.db2.gz NTKNDLUOOUYZFY-UHFFFAOYSA-N 1 2 336.356 -0.442 20 5 EBBDLO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)Cn1cncn1 ZINC001265968800 813428879 /nfs/dbraw/zinc/42/88/79/813428879.db2.gz NTKNDLUOOUYZFY-UHFFFAOYSA-N 1 2 336.356 -0.442 20 5 EBBDLO COCc1noc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086363522 816307724 /nfs/dbraw/zinc/30/77/24/816307724.db2.gz ZBGBTCVWMJBHON-GWOFURMSSA-N 1 2 339.352 -0.134 20 5 EBBDLO CCN(CCNC(=O)Cc1c[nH]c[nH+]1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100734815 820528068 /nfs/dbraw/zinc/52/80/68/820528068.db2.gz ZHESQMYLHVMQHJ-UHFFFAOYSA-N 1 2 334.340 -0.125 20 5 EBBDLO CCOCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001107167972 823767286 /nfs/dbraw/zinc/76/72/86/823767286.db2.gz ONIDVDRFIMDEOB-CHWSQXEVSA-N 1 2 338.368 -0.547 20 5 EBBDLO CC[C@]([NH3+])(CO)Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001170857608 832529166 /nfs/dbraw/zinc/52/91/66/832529166.db2.gz GCWHRXKNRBVHOS-SECBINFHSA-N 1 2 339.761 -0.089 20 5 EBBDLO CC[C@@]([NH3+])(CO)Nc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001170857610 832529439 /nfs/dbraw/zinc/52/94/39/832529439.db2.gz GCWHRXKNRBVHOS-VIFPVBQESA-N 1 2 339.761 -0.089 20 5 EBBDLO C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001195145136 835190357 /nfs/dbraw/zinc/19/03/57/835190357.db2.gz IFQMMYCGPHZIEB-PWSUYJOCSA-N 1 2 343.409 -0.098 20 5 EBBDLO C[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC001195145136 835190358 /nfs/dbraw/zinc/19/03/58/835190358.db2.gz IFQMMYCGPHZIEB-PWSUYJOCSA-N 1 2 343.409 -0.098 20 5 EBBDLO O=C(NCCn1cc([N+](=O)[O-])cn1)C(=O)N[C@H]1CCn2cc[nH+]c2C1 ZINC001343151196 843201906 /nfs/dbraw/zinc/20/19/06/843201906.db2.gz TYAFFKYLODIAJB-JTQLQIEISA-N 1 2 347.335 -0.765 20 5 EBBDLO C[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000609512179 375980780 /nfs/dbraw/zinc/98/07/80/375980780.db2.gz KIYOJUJCLZPTPH-SNVBAGLBSA-N 1 2 344.393 -0.255 20 5 EBBDLO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCOCC1 ZINC000339218468 376643778 /nfs/dbraw/zinc/64/37/78/376643778.db2.gz RVRNHMVRBAMZHT-GFCCVEGCSA-N 1 2 339.348 -0.217 20 5 EBBDLO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000611547636 376721509 /nfs/dbraw/zinc/72/15/09/376721509.db2.gz RFFAKJRXYQFNCL-UHFFFAOYSA-N 1 2 336.396 -0.004 20 5 EBBDLO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000611547636 376721516 /nfs/dbraw/zinc/72/15/16/376721516.db2.gz RFFAKJRXYQFNCL-UHFFFAOYSA-N 1 2 336.396 -0.004 20 5 EBBDLO NC(=O)c1ccc(C[N@@H+]2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000339850339 376672503 /nfs/dbraw/zinc/67/25/03/376672503.db2.gz QHFYOUFINKSLEO-JTQLQIEISA-N 1 2 328.350 -0.444 20 5 EBBDLO NC(=O)c1ccc(C[N@H+]2CC[C@H](S(N)(=O)=O)C2)c([N+](=O)[O-])c1 ZINC000339850339 376672510 /nfs/dbraw/zinc/67/25/10/376672510.db2.gz QHFYOUFINKSLEO-JTQLQIEISA-N 1 2 328.350 -0.444 20 5 EBBDLO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110959159 377634221 /nfs/dbraw/zinc/63/42/21/377634221.db2.gz XRBJLTLTVGWADG-LBPRGKRZSA-N 1 2 338.368 -0.100 20 5 EBBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000594762316 377951391 /nfs/dbraw/zinc/95/13/91/377951391.db2.gz OWUJZTGOONDVQY-JTQLQIEISA-N 1 2 330.366 -0.323 20 5 EBBDLO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCN(c3ncns3)CC2)c1 ZINC000595515408 378008501 /nfs/dbraw/zinc/00/85/01/378008501.db2.gz IMPZNEAGHNZECT-NSHDSACASA-N 1 2 339.381 -0.174 20 5 EBBDLO Cc1noc(C[N@@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC000595314174 377997381 /nfs/dbraw/zinc/99/73/81/377997381.db2.gz RHPJJWRURNONIW-VIFPVBQESA-N 1 2 333.370 -0.104 20 5 EBBDLO Cc1noc(C[N@H+]2CCC[C@@H](CNS(N)(=O)=O)C2)c1[N+](=O)[O-] ZINC000595314174 377997386 /nfs/dbraw/zinc/99/73/86/377997386.db2.gz RHPJJWRURNONIW-VIFPVBQESA-N 1 2 333.370 -0.104 20 5 EBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000599240974 378207086 /nfs/dbraw/zinc/20/70/86/378207086.db2.gz DNVNLYUMZQVCFC-JTQLQIEISA-N 1 2 327.366 -0.037 20 5 EBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](CCCO)CC2)n1 ZINC000599280672 378219141 /nfs/dbraw/zinc/21/91/41/378219141.db2.gz BSALRDPENJFNSP-UHFFFAOYSA-N 1 2 333.370 -0.983 20 5 EBBDLO NC(=O)C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599670475 378269753 /nfs/dbraw/zinc/26/97/53/378269753.db2.gz WPJXFLCVWXTEDV-TZMCWYRMSA-N 1 2 339.348 -0.089 20 5 EBBDLO NC(=O)C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000599670475 378269761 /nfs/dbraw/zinc/26/97/61/378269761.db2.gz WPJXFLCVWXTEDV-TZMCWYRMSA-N 1 2 339.348 -0.089 20 5 EBBDLO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599328837 378230110 /nfs/dbraw/zinc/23/01/10/378230110.db2.gz VUZJNUJXXQVXDN-VHSXEESVSA-N 1 2 347.397 -0.596 20 5 EBBDLO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599328837 378230113 /nfs/dbraw/zinc/23/01/13/378230113.db2.gz VUZJNUJXXQVXDN-VHSXEESVSA-N 1 2 347.397 -0.596 20 5 EBBDLO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000351574774 379175678 /nfs/dbraw/zinc/17/56/78/379175678.db2.gz DDSKEWWUXHSHOY-UHFFFAOYSA-N 1 2 340.311 -0.191 20 5 EBBDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000274532723 379459295 /nfs/dbraw/zinc/45/92/95/379459295.db2.gz RIINTJWJFGZSGI-LBPRGKRZSA-N 1 2 338.364 -0.058 20 5 EBBDLO Cc1[nH]nc(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000274993466 379463503 /nfs/dbraw/zinc/46/35/03/379463503.db2.gz MJPYXOYSNBPRSD-SNVBAGLBSA-N 1 2 336.352 -0.337 20 5 EBBDLO Cc1n[nH]c(C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1[N+](=O)[O-] ZINC000274993466 379463511 /nfs/dbraw/zinc/46/35/11/379463511.db2.gz MJPYXOYSNBPRSD-SNVBAGLBSA-N 1 2 336.352 -0.337 20 5 EBBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000275578453 379468646 /nfs/dbraw/zinc/46/86/46/379468646.db2.gz POVATHOURZCRSA-TUAOUCFPSA-N 1 2 328.325 -0.850 20 5 EBBDLO COC(=O)[C@@H]1[C@H](O)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000275578453 379468652 /nfs/dbraw/zinc/46/86/52/379468652.db2.gz POVATHOURZCRSA-TUAOUCFPSA-N 1 2 328.325 -0.850 20 5 EBBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1COC[C@H]1O ZINC000352807971 379684809 /nfs/dbraw/zinc/68/48/09/379684809.db2.gz XMYXSEKJYLRDAU-WDEREUQCSA-N 1 2 339.304 -0.047 20 5 EBBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1COC[C@H]1O ZINC000352807971 379684818 /nfs/dbraw/zinc/68/48/18/379684818.db2.gz XMYXSEKJYLRDAU-WDEREUQCSA-N 1 2 339.304 -0.047 20 5 EBBDLO C[N@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1COC[C@@H]1O ZINC000352807969 379686211 /nfs/dbraw/zinc/68/62/11/379686211.db2.gz XMYXSEKJYLRDAU-MNOVXSKESA-N 1 2 339.304 -0.047 20 5 EBBDLO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1COC[C@@H]1O ZINC000352807969 379686218 /nfs/dbraw/zinc/68/62/18/379686218.db2.gz XMYXSEKJYLRDAU-MNOVXSKESA-N 1 2 339.304 -0.047 20 5 EBBDLO C[C@H](O)C[NH+]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000577129455 380804307 /nfs/dbraw/zinc/80/43/07/380804307.db2.gz XYVUZHRXPCNTDM-JTQLQIEISA-N 1 2 330.366 -0.323 20 5 EBBDLO O=C1NC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000269636759 381111240 /nfs/dbraw/zinc/11/12/40/381111240.db2.gz HSAYBJDADHUINY-OLZOCXBDSA-N 1 2 334.332 -0.729 20 5 EBBDLO O=C1NC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000269636759 381111250 /nfs/dbraw/zinc/11/12/50/381111250.db2.gz HSAYBJDADHUINY-OLZOCXBDSA-N 1 2 334.332 -0.729 20 5 EBBDLO Cn1c(C(=O)NCC(=O)NCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000347898550 381783432 /nfs/dbraw/zinc/78/34/32/381783432.db2.gz ZACSWBYAGFWBSE-UHFFFAOYSA-N 1 2 339.352 -0.889 20 5 EBBDLO NC(=O)[C@]1(O)CC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000348215300 381938722 /nfs/dbraw/zinc/93/87/22/381938722.db2.gz BKLARPPZVRRVCX-ZDUSSCGKSA-N 1 2 343.361 -0.709 20 5 EBBDLO NC(=O)[C@]1(O)CC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000348215300 381938729 /nfs/dbraw/zinc/93/87/29/381938729.db2.gz BKLARPPZVRRVCX-ZDUSSCGKSA-N 1 2 343.361 -0.709 20 5 EBBDLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000331696363 155391881 /nfs/dbraw/zinc/39/18/81/155391881.db2.gz YKFRYFXWCBKIMC-UHFFFAOYSA-N 1 2 338.368 -0.388 20 5 EBBDLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000331696363 155391884 /nfs/dbraw/zinc/39/18/84/155391884.db2.gz YKFRYFXWCBKIMC-UHFFFAOYSA-N 1 2 338.368 -0.388 20 5 EBBDLO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176207604 154111580 /nfs/dbraw/zinc/11/15/80/154111580.db2.gz IHOGWKSFWSMQJL-NSHDSACASA-N 1 2 332.382 -0.073 20 5 EBBDLO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCS(=O)(=O)C1 ZINC000176207604 154111583 /nfs/dbraw/zinc/11/15/83/154111583.db2.gz IHOGWKSFWSMQJL-NSHDSACASA-N 1 2 332.382 -0.073 20 5 EBBDLO CC(C)CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000187047886 154145740 /nfs/dbraw/zinc/14/57/40/154145740.db2.gz UDJKGCCFEIIWBW-CYBMUJFWSA-N 1 2 325.369 -0.048 20 5 EBBDLO CC(C)CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O ZINC000187047886 154145743 /nfs/dbraw/zinc/14/57/43/154145743.db2.gz UDJKGCCFEIIWBW-CYBMUJFWSA-N 1 2 325.369 -0.048 20 5 EBBDLO Cc1cc(N2CC[NH+](CCS(N)(=O)=O)CC2)ncc1[N+](=O)[O-] ZINC000266799135 154353975 /nfs/dbraw/zinc/35/39/75/154353975.db2.gz BNUVVCUFFDLGPH-UHFFFAOYSA-N 1 2 329.382 -0.291 20 5 EBBDLO CC(=O)N1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298708789 155117308 /nfs/dbraw/zinc/11/73/08/155117308.db2.gz HEMMUZOQHURIQL-UHFFFAOYSA-N 1 2 336.352 -0.335 20 5 EBBDLO Cn1cc[nH+]c1CN1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000357765004 157176698 /nfs/dbraw/zinc/17/66/98/157176698.db2.gz XHURYADSNDWPCN-UHFFFAOYSA-N 1 2 333.352 -0.131 20 5 EBBDLO O=C(CN1CC[NH2+]CC1=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000430777888 265155449 /nfs/dbraw/zinc/15/54/49/265155449.db2.gz ZAWKQSJDRFIUHH-NSHDSACASA-N 1 2 348.363 -0.566 20 5 EBBDLO C[C@H](O)C[NH+]1CCN(c2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000274995099 290117200 /nfs/dbraw/zinc/11/72/00/290117200.db2.gz FKJWBTLDEUBDJA-JTQLQIEISA-N 1 2 344.393 -0.255 20 5 EBBDLO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CC[S@@](C)=O)CC1 ZINC000741304176 583072066 /nfs/dbraw/zinc/07/20/66/583072066.db2.gz VRUAUZMTQDWSQB-HSZRJFAPSA-N 1 2 343.409 -0.378 20 5 EBBDLO C[C@H]1C[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000769083614 583320606 /nfs/dbraw/zinc/32/06/06/583320606.db2.gz FDXMUUIRNZKDBH-NSHDSACASA-N 1 2 326.357 -0.189 20 5 EBBDLO C[C@H]1C[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000769083614 583320612 /nfs/dbraw/zinc/32/06/12/583320612.db2.gz FDXMUUIRNZKDBH-NSHDSACASA-N 1 2 326.357 -0.189 20 5 EBBDLO C[C@@H]1C[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000769083609 583320668 /nfs/dbraw/zinc/32/06/68/583320668.db2.gz FDXMUUIRNZKDBH-LLVKDONJSA-N 1 2 326.357 -0.189 20 5 EBBDLO C[C@@H]1C[N@@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000769083609 583320672 /nfs/dbraw/zinc/32/06/72/583320672.db2.gz FDXMUUIRNZKDBH-LLVKDONJSA-N 1 2 326.357 -0.189 20 5 EBBDLO O=C1NC[C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776587912 583406659 /nfs/dbraw/zinc/40/66/59/583406659.db2.gz ZKBCTHIECZESSU-QWHCGFSZSA-N 1 2 334.332 -0.729 20 5 EBBDLO O=C1NC[C@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776587912 583406661 /nfs/dbraw/zinc/40/66/61/583406661.db2.gz ZKBCTHIECZESSU-QWHCGFSZSA-N 1 2 334.332 -0.729 20 5 EBBDLO CNC(=O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821633010 583798079 /nfs/dbraw/zinc/79/80/79/583798079.db2.gz TUUWQXXLAAWZDT-UHFFFAOYSA-N 1 2 346.351 -0.357 20 5 EBBDLO O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000847140227 584135260 /nfs/dbraw/zinc/13/52/60/584135260.db2.gz NXLGSUJDUPADOJ-OCCSQVGLSA-N 1 2 339.348 -0.563 20 5 EBBDLO 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CCN1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000433491840 265192206 /nfs/dbraw/zinc/19/22/06/265192206.db2.gz BMWWTVAJTQDRAR-SNVBAGLBSA-N 1 2 334.340 -0.185 20 5 EBBDLO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000743270730 583084615 /nfs/dbraw/zinc/08/46/15/583084615.db2.gz FTGAREXQTCJPIS-VXGBXAGGSA-N 1 2 328.325 -0.584 20 5 EBBDLO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000743270730 583084618 /nfs/dbraw/zinc/08/46/18/583084618.db2.gz FTGAREXQTCJPIS-VXGBXAGGSA-N 1 2 328.325 -0.584 20 5 EBBDLO O=C1NC[C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776587913 583406746 /nfs/dbraw/zinc/40/67/46/583406746.db2.gz ZKBCTHIECZESSU-STQMWFEESA-N 1 2 334.332 -0.729 20 5 EBBDLO O=C1NC[C@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000776587913 583406749 /nfs/dbraw/zinc/40/67/49/583406749.db2.gz ZKBCTHIECZESSU-STQMWFEESA-N 1 2 334.332 -0.729 20 5 EBBDLO NC(=O)C[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 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COCCC(=O)N1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001352659029 832349244 /nfs/dbraw/zinc/34/92/44/832349244.db2.gz CKCFSVOCPUNOPH-CHWSQXEVSA-N 1 2 342.396 -0.661 20 5 EBBDLO C[S@@](=O)CC[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001167686609 832363696 /nfs/dbraw/zinc/36/36/96/832363696.db2.gz SWPKRHLTVKLHPM-JCQPUDPBSA-N 1 2 345.425 -0.852 20 5 EBBDLO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(CCO)CC2)c1 ZINC000046444291 376036019 /nfs/dbraw/zinc/03/60/19/376036019.db2.gz RKLYMQHLKPKIHA-CQSZACIVSA-N 1 2 325.365 -0.056 20 5 EBBDLO C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000594775243 377949817 /nfs/dbraw/zinc/94/98/17/377949817.db2.gz INBFBFUSCRCIEK-ONGXEEELSA-N 1 2 330.366 -0.013 20 5 EBBDLO C[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000594775243 377949820 /nfs/dbraw/zinc/94/98/20/377949820.db2.gz INBFBFUSCRCIEK-ONGXEEELSA-N 1 2 330.366 -0.013 20 5 EBBDLO CO[C@@H]1CS(=O)(=O)[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 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Cn1nnnc1C[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001270878791 815924328 /nfs/dbraw/zinc/92/43/28/815924328.db2.gz BEEFFUNMEPSBMA-GHMZBOCLSA-N 1 2 337.384 -0.406 20 5 EBBDLO O=C(CC[NH+]1CCOCC1)NC/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001285546506 819654456 /nfs/dbraw/zinc/65/44/56/819654456.db2.gz YHIWIKICSFSFBE-DKZVVXNFSA-N 1 2 340.380 -0.838 20 5 EBBDLO CC(C)(C)CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317211697 822039195 /nfs/dbraw/zinc/03/91/95/822039195.db2.gz RUJGTBNEFSIUME-DIACKHNESA-N 1 2 338.408 -0.140 20 5 EBBDLO CC(C)(C)CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317211697 822039202 /nfs/dbraw/zinc/03/92/02/822039202.db2.gz RUJGTBNEFSIUME-DIACKHNESA-N 1 2 338.408 -0.140 20 5 EBBDLO COC(=O)[C@H]1C[N@H+](C)CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001157773932 831592325 /nfs/dbraw/zinc/59/23/25/831592325.db2.gz UVJBCQVNMIPSRY-MRVPVSSYSA-N 1 2 341.324 -0.305 20 5 EBBDLO COC(=O)[C@H]1C[N@@H+](C)CCN1c1nc(OC)c([N+](=O)[O-])c(OC)n1 ZINC001157773932 831592330 /nfs/dbraw/zinc/59/23/30/831592330.db2.gz UVJBCQVNMIPSRY-MRVPVSSYSA-N 1 2 341.324 -0.305 20 5 EBBDLO COC(=O)[C@@H]1C[C@@H](Nc2nc(OC)c([N+](=O)[O-])c(OC)n2)C[NH2+]1 ZINC001158254366 831640558 /nfs/dbraw/zinc/64/05/58/831640558.db2.gz AWEQPRUKIINQLF-RQJHMYQMSA-N 1 2 327.297 -0.283 20 5 EBBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001167472995 832343758 /nfs/dbraw/zinc/34/37/58/832343758.db2.gz HDBDPYOBJYVBOU-UHFFFAOYSA-N 1 2 339.352 -0.335 20 5 EBBDLO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001167472995 832343764 /nfs/dbraw/zinc/34/37/64/832343764.db2.gz HDBDPYOBJYVBOU-UHFFFAOYSA-N 1 2 339.352 -0.335 20 5 EBBDLO C[C@H](O)C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001339618560 842928600 /nfs/dbraw/zinc/92/86/00/842928600.db2.gz MQCDHHZNVHTJBM-RYUDHWBXSA-N 1 2 338.364 -0.330 20 5 EBBDLO C[C@H](O)C[N@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001339618560 842928606 /nfs/dbraw/zinc/92/86/06/842928606.db2.gz MQCDHHZNVHTJBM-RYUDHWBXSA-N 1 2 338.364 -0.330 20 5 EBBDLO O=C(C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1)Nc1nncs1 ZINC001483732017 1126464962 /nfs/dbraw/zinc/46/49/62/1126464962.db2.gz BAHUQCUDXRYKRN-HTQZYQBOSA-N 1 2 340.365 -0.620 20 5 EBBDLO O=c1[nH]nc([C@H]2CCC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)o1 ZINC000283915218 376248167 /nfs/dbraw/zinc/24/81/67/376248167.db2.gz GECSOSXSIUUNNH-ONGXEEELSA-N 1 2 338.324 -0.292 20 5 EBBDLO CN(C)S(=O)(=O)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484805 376281553 /nfs/dbraw/zinc/28/15/53/376281553.db2.gz QVJLQMDXFPFXDD-UHFFFAOYSA-N 1 2 332.386 -0.785 20 5 EBBDLO C[C@@](O)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+]1CCOCC1 ZINC000361098706 376300907 /nfs/dbraw/zinc/30/09/07/376300907.db2.gz UNPZZQJKOFIKOG-CQSZACIVSA-N 1 2 339.352 -0.416 20 5 EBBDLO CCn1cc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])n1 ZINC000611107632 376427785 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QSLRKIQBZGMPJQ-WCQGTBRESA-N 1 2 328.325 -0.586 20 5 EBBDLO COC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000338373198 376615702 /nfs/dbraw/zinc/61/57/02/376615702.db2.gz QSLRKIQBZGMPJQ-WCQGTBRESA-N 1 2 328.325 -0.586 20 5 EBBDLO O=C(CO)N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000340372783 376712414 /nfs/dbraw/zinc/71/24/14/376712414.db2.gz XRMUJRZINSYERJ-CYBMUJFWSA-N 1 2 339.348 -0.529 20 5 EBBDLO COC(=O)COc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000616136157 377455477 /nfs/dbraw/zinc/45/54/77/377455477.db2.gz XXVIFACPAZBSPA-TXEJJXNPSA-N 1 2 326.305 -0.316 20 5 EBBDLO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000616136157 377455488 /nfs/dbraw/zinc/45/54/88/377455488.db2.gz XXVIFACPAZBSPA-TXEJJXNPSA-N 1 2 326.305 -0.316 20 5 EBBDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783008 377957256 /nfs/dbraw/zinc/95/72/56/377957256.db2.gz YXLQZRKBGKPNFB-SNVBAGLBSA-N 1 2 330.366 -0.323 20 5 EBBDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594783008 377957258 /nfs/dbraw/zinc/95/72/58/377957258.db2.gz YXLQZRKBGKPNFB-SNVBAGLBSA-N 1 2 330.366 -0.323 20 5 EBBDLO C[N@@H+]1CCOC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000599159489 378200857 /nfs/dbraw/zinc/20/08/57/378200857.db2.gz CBKRSONTGSZLSA-SECBINFHSA-N 1 2 330.366 -0.015 20 5 EBBDLO C[N@H+]1CCOC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000599159489 378200859 /nfs/dbraw/zinc/20/08/59/378200859.db2.gz CBKRSONTGSZLSA-SECBINFHSA-N 1 2 330.366 -0.015 20 5 EBBDLO CN1CC[N@H+](C)[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000332571831 379520996 /nfs/dbraw/zinc/52/09/96/379520996.db2.gz XJSRRIASAGRNAB-NSHDSACASA-N 1 2 325.373 -0.664 20 5 EBBDLO CN1CC[N@@H+](C)[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000332571831 379521004 /nfs/dbraw/zinc/52/10/04/379521004.db2.gz XJSRRIASAGRNAB-NSHDSACASA-N 1 2 325.373 -0.664 20 5 EBBDLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600231705 379637134 /nfs/dbraw/zinc/63/71/34/379637134.db2.gz FYCPWKSCEYANAF-AWEZNQCLSA-N 1 2 339.352 -0.337 20 5 EBBDLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000600231705 379637147 /nfs/dbraw/zinc/63/71/47/379637147.db2.gz FYCPWKSCEYANAF-AWEZNQCLSA-N 1 2 339.352 -0.337 20 5 EBBDLO NC(=O)[C@]1(O)CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000355061646 379714731 /nfs/dbraw/zinc/71/47/31/379714731.db2.gz GKVNYLJUUZMMBV-HNNXBMFYSA-N 1 2 345.315 -0.157 20 5 EBBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000130737728 381151671 /nfs/dbraw/zinc/15/16/71/381151671.db2.gz MIGQXQVUTHVIAH-SNVBAGLBSA-N 1 2 338.368 -0.010 20 5 EBBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000130737728 381151677 /nfs/dbraw/zinc/15/16/77/381151677.db2.gz MIGQXQVUTHVIAH-SNVBAGLBSA-N 1 2 338.368 -0.010 20 5 EBBDLO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130737728 381151691 /nfs/dbraw/zinc/15/16/91/381151691.db2.gz MIGQXQVUTHVIAH-SNVBAGLBSA-N 1 2 338.368 -0.010 20 5 EBBDLO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000130737728 381151701 /nfs/dbraw/zinc/15/17/01/381151701.db2.gz MIGQXQVUTHVIAH-SNVBAGLBSA-N 1 2 338.368 -0.010 20 5 EBBDLO O=C(C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCNC(=O)C1 ZINC000030544622 381173746 /nfs/dbraw/zinc/17/37/46/381173746.db2.gz ONOOFPFZNQNVKV-UHFFFAOYSA-N 1 2 347.375 -0.325 20 5 EBBDLO O=[N+]([O-])c1cnn(CCNS(=O)(=O)CCC[NH+]2CCOCC2)c1 ZINC000274243621 381367254 /nfs/dbraw/zinc/36/72/54/381367254.db2.gz VBJXERCDIOIXCH-UHFFFAOYSA-N 1 2 347.397 -0.567 20 5 EBBDLO NC(=O)CN(CC(N)=O)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000347711929 381680338 /nfs/dbraw/zinc/68/03/38/381680338.db2.gz SHGOUXGHSFQWOM-UHFFFAOYSA-N 1 2 346.303 -0.807 20 5 EBBDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000267547614 154380721 /nfs/dbraw/zinc/38/07/21/154380721.db2.gz AOMYCBRCJJZMDR-GFCCVEGCSA-N 1 2 338.364 -0.058 20 5 EBBDLO 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CC[NH+]1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000985830200 807599884 /nfs/dbraw/zinc/59/98/84/807599884.db2.gz YRNNYBUFNYPOPD-CHWSQXEVSA-N 1 2 339.396 -0.447 20 5 EBBDLO Cc1cn(C(C)(C)C(=O)N2CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c[nH+]1 ZINC000991288757 809243154 /nfs/dbraw/zinc/24/31/54/809243154.db2.gz UKUFGFLLHDIVGH-VXGBXAGGSA-N 1 2 335.364 -0.081 20 5 EBBDLO CC1(C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC001255391450 812713206 /nfs/dbraw/zinc/71/32/06/812713206.db2.gz WXVNFZBSILMDMS-UHFFFAOYSA-N 1 2 338.364 -0.328 20 5 EBBDLO CC1(C)CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC001255391450 812713211 /nfs/dbraw/zinc/71/32/11/812713211.db2.gz WXVNFZBSILMDMS-UHFFFAOYSA-N 1 2 338.364 -0.328 20 5 EBBDLO CN(CC[N@H+](C)CC1(CS(C)(=O)=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272014207 816290275 /nfs/dbraw/zinc/29/02/75/816290275.db2.gz YDVDPFQIRFZMAG-VXGBXAGGSA-N 1 2 347.437 -0.133 20 5 EBBDLO CN(CC[N@@H+](C)CC1(CS(C)(=O)=O)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001272014207 816290278 /nfs/dbraw/zinc/29/02/78/816290278.db2.gz YDVDPFQIRFZMAG-VXGBXAGGSA-N 1 2 347.437 -0.133 20 5 EBBDLO CCN(CCNC(=O)Cc1[nH]cc[nH+]1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001100589541 820480484 /nfs/dbraw/zinc/48/04/84/820480484.db2.gz CYDFIOJWHLYZIF-UHFFFAOYSA-N 1 2 334.340 -0.125 20 5 EBBDLO O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001295114983 821051259 /nfs/dbraw/zinc/05/12/59/821051259.db2.gz BBTBYBCRLHNWIB-FDYHWXHSSA-N 1 2 340.380 -0.863 20 5 EBBDLO CN(CCN(C)c1ncc([N+](=O)[O-])c(N)n1)C(=O)Cn1cc[nH+]c1 ZINC001105419463 821747182 /nfs/dbraw/zinc/74/71/82/821747182.db2.gz ZTMPDDJQQQXXAE-UHFFFAOYSA-N 1 2 334.340 -0.242 20 5 EBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)CC[N@H+](C)CC2)n1 ZINC001309893416 821782868 /nfs/dbraw/zinc/78/28/68/821782868.db2.gz OGAJTICYKYDTOJ-UHFFFAOYSA-N 1 2 346.413 -0.804 20 5 EBBDLO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(C)CC[N@@H+](C)CC2)n1 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KCWLZXARDGIANK-BDAKNGLRSA-N 1 2 338.324 -0.033 20 5 EBBDLO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C(N)=O)C(N)=O)c1F ZINC001173178235 832583801 /nfs/dbraw/zinc/58/38/01/832583801.db2.gz KHOIEOILMXYSJR-LURJTMIESA-N 1 2 328.300 -0.398 20 5 EBBDLO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001319612237 838157440 /nfs/dbraw/zinc/15/74/40/838157440.db2.gz PPWZTVSWCKYVIB-LLVKDONJSA-N 1 2 338.368 -0.546 20 5 EBBDLO O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC001319612237 838157445 /nfs/dbraw/zinc/15/74/45/838157445.db2.gz PPWZTVSWCKYVIB-LLVKDONJSA-N 1 2 338.368 -0.546 20 5 EBBDLO CNC(=O)NC(=O)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001332706456 841722700 /nfs/dbraw/zinc/72/27/00/841722700.db2.gz DQPVZOVTVVMAPJ-GHMZBOCLSA-N 1 2 343.384 -0.724 20 5 EBBDLO CNC(=O)NC(=O)C[N@@H+](C)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001332706456 841722708 /nfs/dbraw/zinc/72/27/08/841722708.db2.gz DQPVZOVTVVMAPJ-GHMZBOCLSA-N 1 2 343.384 -0.724 20 5 EBBDLO O=C(Cn1c[nH+]c2c1CCCC2)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001348935611 843773160 /nfs/dbraw/zinc/77/31/60/843773160.db2.gz VIVCFHCOKZYCRU-ZWNOBZJWSA-N 1 2 335.364 -0.341 20 5 EBBDLO Cn1c(Cl)cnc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484481972 1126591897 /nfs/dbraw/zinc/59/18/97/1126591897.db2.gz CJQUSTYZJLEACJ-NXEZZACHSA-N 1 2 345.787 -0.351 20 5 EBBDLO CN(C)C(=O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000609102831 375969735 /nfs/dbraw/zinc/96/97/35/375969735.db2.gz XMOMGZYRFOFHIY-UHFFFAOYSA-N 1 2 337.336 -0.459 20 5 EBBDLO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)C[NH+]1CCOCC1 ZINC000339218339 376644092 /nfs/dbraw/zinc/64/40/92/376644092.db2.gz RDEOTBRNKHQSQH-LBPRGKRZSA-N 1 2 341.368 -0.701 20 5 EBBDLO CN(C)C(=O)N1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075588938 376728356 /nfs/dbraw/zinc/72/83/56/376728356.db2.gz MRYOJKQBCLBFCR-LBPRGKRZSA-N 1 2 326.357 -0.549 20 5 EBBDLO NC(=O)[C@@]1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCOC1 ZINC000573016103 376943597 /nfs/dbraw/zinc/94/35/97/376943597.db2.gz HQHFQTLLIMHMJU-OAHLLOKOSA-N 1 2 334.332 -0.282 20 5 EBBDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593605827 377899930 /nfs/dbraw/zinc/89/99/30/377899930.db2.gz KQYMFYLOAHNPCJ-SNVBAGLBSA-N 1 2 330.366 -0.323 20 5 EBBDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593605827 377899937 /nfs/dbraw/zinc/89/99/37/377899937.db2.gz KQYMFYLOAHNPCJ-SNVBAGLBSA-N 1 2 330.366 -0.323 20 5 EBBDLO O=C1CNC(=O)N1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595523491 378014759 /nfs/dbraw/zinc/01/47/59/378014759.db2.gz KQSXBHKFSYICTO-UHFFFAOYSA-N 1 2 334.336 -0.336 20 5 EBBDLO C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599333255 378232625 /nfs/dbraw/zinc/23/26/25/378232625.db2.gz ZXSWGQBSFIDPCH-SECBINFHSA-N 1 2 333.370 -0.985 20 5 EBBDLO C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599333255 378232631 /nfs/dbraw/zinc/23/26/31/378232631.db2.gz 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C[C@@](O)(CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000354383970 379708651 /nfs/dbraw/zinc/70/86/51/379708651.db2.gz DEVJYAJXLLNMIW-OAHLLOKOSA-N 1 2 338.364 -0.010 20 5 EBBDLO CNC(=O)[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272865885 380867802 /nfs/dbraw/zinc/86/78/02/380867802.db2.gz MZJJLSIBHXEUKC-OCCSQVGLSA-N 1 2 339.348 -0.219 20 5 EBBDLO CNC(=O)[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272865885 380867809 /nfs/dbraw/zinc/86/78/09/380867809.db2.gz MZJJLSIBHXEUKC-OCCSQVGLSA-N 1 2 339.348 -0.219 20 5 EBBDLO O=C(CN1CC[NH2+]CC1=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000584837135 381216624 /nfs/dbraw/zinc/21/66/24/381216624.db2.gz ZSSFZSJOHGQROL-UHFFFAOYSA-N 1 2 348.363 -0.930 20 5 EBBDLO C[N@H+](CC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299074515 155145271 /nfs/dbraw/zinc/14/52/71/155145271.db2.gz YVHIQECTMXPKBJ-UHFFFAOYSA-N 1 2 335.364 -0.340 20 5 EBBDLO C[N@@H+](CC(N)=O)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 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