smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000712535215 792199415 /nfs/dbraw/zinc/19/94/15/792199415.db2.gz MBIROYONIWEABL-MRVPVSSYSA-N 1 2 315.171 2.258 10 5 DEBELO CC[N@H+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000712535215 792199418 /nfs/dbraw/zinc/19/94/18/792199418.db2.gz MBIROYONIWEABL-MRVPVSSYSA-N 1 2 315.171 2.258 10 5 DEBELO O=[N+]([O-])c1cc(-c2c[nH]c([C@H]3COCC[NH2+]3)n2)ccc1Cl ZINC000088373062 185247201 /nfs/dbraw/zinc/24/72/01/185247201.db2.gz QVFMLXQIWGNWOW-LLVKDONJSA-N 1 2 308.725 2.299 10 5 DEBELO COc1ccc(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000173453477 198216646 /nfs/dbraw/zinc/21/66/46/198216646.db2.gz MKSHMIGTYUWMJO-RYUDHWBXSA-N 1 2 310.350 2.091 10 5 DEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccccc1[N+](=O)[O-] ZINC000029918374 401859636 /nfs/dbraw/zinc/85/96/36/401859636.db2.gz MXPNTELKQWBEBL-UHFFFAOYSA-N 1 2 323.312 2.106 10 5 DEBELO O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC([NH+]2CCCC2)CC1 ZINC000066635196 402138623 /nfs/dbraw/zinc/13/86/23/402138623.db2.gz DZLLMQRUYQNLCB-UHFFFAOYSA-N 1 2 319.361 2.001 10 5 DEBELO Cc1c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cccc1[N+](=O)[O-] ZINC000177809715 402438672 /nfs/dbraw/zinc/43/86/72/402438672.db2.gz XNUKBHWWVPNLBW-CYBMUJFWSA-N 1 2 314.345 2.405 10 5 DEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247178506 402559646 /nfs/dbraw/zinc/55/96/46/402559646.db2.gz NJRLHBGNJKLMLG-CZUORRHYSA-N 1 2 316.361 2.253 10 5 DEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000247178506 402559647 /nfs/dbraw/zinc/55/96/47/402559647.db2.gz NJRLHBGNJKLMLG-CZUORRHYSA-N 1 2 316.361 2.253 10 5 DEBELO CC[C@@H]([NH2+]Cc1nnnn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181562269 402649897 /nfs/dbraw/zinc/64/98/97/402649897.db2.gz XKBXBTYVXDNYIC-CYBMUJFWSA-N 1 2 304.354 2.403 10 5 DEBELO CC(C)n1cc[nH+]c1CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000195516816 402849792 /nfs/dbraw/zinc/84/97/92/402849792.db2.gz ZSEPNLOOJWDTHE-UHFFFAOYSA-N 1 2 314.301 2.168 10 5 DEBELO Cc1ccc([N+](=O)[O-])c(N2CCN(c3c[nH+]ccc3C)CC2)n1 ZINC000517772916 269392944 /nfs/dbraw/zinc/39/29/44/269392944.db2.gz QIPISDNFZLRCLW-UHFFFAOYSA-N 1 2 313.361 2.328 10 5 DEBELO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184700554 278974163 /nfs/dbraw/zinc/97/41/63/278974163.db2.gz NPHCRFCNNILZIV-NSHDSACASA-N 1 2 309.366 2.007 10 5 DEBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408008670 280368884 /nfs/dbraw/zinc/36/88/84/280368884.db2.gz FWBMDBCPNXKQRI-XJKSGUPXSA-N 1 2 306.362 2.427 10 5 DEBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000408008670 280368887 /nfs/dbraw/zinc/36/88/87/280368887.db2.gz FWBMDBCPNXKQRI-XJKSGUPXSA-N 1 2 306.362 2.427 10 5 DEBELO CCO[C@@H]1C[C@@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCCC2 ZINC000156505805 646430098 /nfs/dbraw/zinc/43/00/98/646430098.db2.gz COOBRWJVOUQINJ-CHWSQXEVSA-N 1 2 308.382 2.418 10 5 DEBELO CCO[C@@H]1C[C@@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCCC2 ZINC000156505805 646430101 /nfs/dbraw/zinc/43/01/01/646430101.db2.gz COOBRWJVOUQINJ-CHWSQXEVSA-N 1 2 308.382 2.418 10 5 DEBELO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1 ZINC000076745219 185037763 /nfs/dbraw/zinc/03/77/63/185037763.db2.gz QBULQAIFIIBFNL-ZDUSSCGKSA-N 1 2 318.333 2.256 10 5 DEBELO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1 ZINC000076745219 185037764 /nfs/dbraw/zinc/03/77/64/185037764.db2.gz QBULQAIFIIBFNL-ZDUSSCGKSA-N 1 2 318.333 2.256 10 5 DEBELO CCc1nc(C(C)(C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)no1 ZINC000441247792 529714200 /nfs/dbraw/zinc/71/42/00/529714200.db2.gz LFRBZKWPJZFUQD-UHFFFAOYSA-N 1 2 320.349 2.444 10 5 DEBELO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CS(C)(=O)=O ZINC000183347460 356169003 /nfs/dbraw/zinc/16/90/03/356169003.db2.gz RSFOBCBFUOVJCF-LBPRGKRZSA-N 1 2 314.407 2.158 10 5 DEBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@@H](C)CS(C)(=O)=O ZINC000183347460 356169005 /nfs/dbraw/zinc/16/90/05/356169005.db2.gz RSFOBCBFUOVJCF-LBPRGKRZSA-N 1 2 314.407 2.158 10 5 DEBELO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000255583935 356337992 /nfs/dbraw/zinc/33/79/92/356337992.db2.gz DWBPSPQLOXQQTD-OICCZTGUSA-N 1 2 317.389 2.015 10 5 DEBELO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCSC[C@H]3CCO)nc2c1 ZINC000610737434 361455836 /nfs/dbraw/zinc/45/58/36/361455836.db2.gz KFMIZHTYQLDWCJ-LLVKDONJSA-N 1 2 323.374 2.036 10 5 DEBELO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCSC[C@H]3CCO)nc2c1 ZINC000610737434 361455842 /nfs/dbraw/zinc/45/58/42/361455842.db2.gz KFMIZHTYQLDWCJ-LLVKDONJSA-N 1 2 323.374 2.036 10 5 DEBELO O=[N+]([O-])c1c(N2CCC[C@@H]2Cn2cc[nH+]c2)nc2sccn21 ZINC000267355048 206006515 /nfs/dbraw/zinc/00/65/15/206006515.db2.gz HDACTMCYPZIWOA-SNVBAGLBSA-N 1 2 318.362 2.170 10 5 DEBELO O=[N+]([O-])c1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)cs1 ZINC000105800010 194131768 /nfs/dbraw/zinc/13/17/68/194131768.db2.gz HJOBHGFWFUQIOG-UHFFFAOYSA-N 1 2 319.390 2.159 10 5 DEBELO O=[N+]([O-])c1cc(C[N@H+]2CCCN(c3cccnn3)CC2)cs1 ZINC000105800010 194131770 /nfs/dbraw/zinc/13/17/70/194131770.db2.gz HJOBHGFWFUQIOG-UHFFFAOYSA-N 1 2 319.390 2.159 10 5 DEBELO Cc1cc(NN)[nH+]c(COc2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000122043551 195394202 /nfs/dbraw/zinc/39/42/02/195394202.db2.gz OQKWNUZEKIXQTE-UHFFFAOYSA-N 1 2 309.713 2.211 10 5 DEBELO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000187036248 285368604 /nfs/dbraw/zinc/36/86/04/285368604.db2.gz QCJWQPDELHRDGP-BXUZGUMPSA-N 1 2 321.377 2.103 10 5 DEBELO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000187036248 285368612 /nfs/dbraw/zinc/36/86/12/285368612.db2.gz QCJWQPDELHRDGP-BXUZGUMPSA-N 1 2 321.377 2.103 10 5 DEBELO Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000263081316 145323492 /nfs/dbraw/zinc/32/34/92/145323492.db2.gz XOTXEWIKAAJRCQ-MWLCHTKSSA-N 1 2 313.304 2.078 10 5 DEBELO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO1 ZINC000052102384 402039011 /nfs/dbraw/zinc/03/90/11/402039011.db2.gz RNLBPDIGZCMCGR-ZDUSSCGKSA-N 1 2 318.333 2.256 10 5 DEBELO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCCO1 ZINC000052102384 402039014 /nfs/dbraw/zinc/03/90/14/402039014.db2.gz RNLBPDIGZCMCGR-ZDUSSCGKSA-N 1 2 318.333 2.256 10 5 DEBELO CN(C)c1[nH+]cccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000052992829 402049470 /nfs/dbraw/zinc/04/94/70/402049470.db2.gz RTAFISYADDDBBV-UHFFFAOYSA-N 1 2 306.347 2.047 10 5 DEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649920 402510631 /nfs/dbraw/zinc/51/06/31/402510631.db2.gz VJWCUEDEALPWQU-ZDUSSCGKSA-N 1 2 313.361 2.268 10 5 DEBELO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2cccnn2)CC1 ZINC000170649921 402510694 /nfs/dbraw/zinc/51/06/94/402510694.db2.gz VJWCUEDEALPWQU-CYBMUJFWSA-N 1 2 313.361 2.268 10 5 DEBELO Cc1sc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195062771 402829908 /nfs/dbraw/zinc/82/99/08/402829908.db2.gz PIMIFNMQQXXHMS-NSHDSACASA-N 1 2 309.391 2.275 10 5 DEBELO Cc1sc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000195062771 402829910 /nfs/dbraw/zinc/82/99/10/402829910.db2.gz PIMIFNMQQXXHMS-NSHDSACASA-N 1 2 309.391 2.275 10 5 DEBELO CC(C)(C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130900341 196120363 /nfs/dbraw/zinc/12/03/63/196120363.db2.gz OTQNDLOFEXOESJ-UHFFFAOYSA-N 1 2 305.378 2.474 10 5 DEBELO CC(C)(C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130900341 196120366 /nfs/dbraw/zinc/12/03/66/196120366.db2.gz OTQNDLOFEXOESJ-UHFFFAOYSA-N 1 2 305.378 2.474 10 5 DEBELO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@@H+]1CCOC[C@@H]1C ZINC000301282437 268823387 /nfs/dbraw/zinc/82/33/87/268823387.db2.gz OZADMFDDCRQMKY-UWVGGRQHSA-N 1 2 314.773 2.164 10 5 DEBELO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)[N@H+]1CCOC[C@@H]1C ZINC000301282437 268823389 /nfs/dbraw/zinc/82/33/89/268823389.db2.gz OZADMFDDCRQMKY-UWVGGRQHSA-N 1 2 314.773 2.164 10 5 DEBELO Cn1cnc([N+](=O)[O-])c1N1CCC[C@H]1c1[nH]c2c([nH+]1)CCCC2 ZINC000275510830 303020662 /nfs/dbraw/zinc/02/06/62/303020662.db2.gz DGCGYCRDRUXWKN-LBPRGKRZSA-N 1 2 316.365 2.272 10 5 DEBELO O=C(NCCCc1[nH]cc[nH+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000139449661 186022378 /nfs/dbraw/zinc/02/23/78/186022378.db2.gz ZGPNFYVPOQAZTR-UHFFFAOYSA-N 1 2 308.725 2.334 10 5 DEBELO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c(C4CC4)n3)CC2)n1 ZINC000618683300 363571704 /nfs/dbraw/zinc/57/17/04/363571704.db2.gz WFKIYJYZTHOZGI-UHFFFAOYSA-N 1 2 314.349 2.300 10 5 DEBELO COC(=O)[C@H](COc1ccc([N+](=O)[O-])cc1Cl)[NH2+]C(C)C ZINC000045462650 183510249 /nfs/dbraw/zinc/51/02/49/183510249.db2.gz ASIJBJQQDZEEPX-NSHDSACASA-N 1 2 316.741 2.167 10 5 DEBELO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000124945455 402204873 /nfs/dbraw/zinc/20/48/73/402204873.db2.gz MRKLFPPINKJFFD-UHFFFAOYSA-N 1 2 309.753 2.168 10 5 DEBELO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000184783177 402299759 /nfs/dbraw/zinc/29/97/59/402299759.db2.gz HJQBWIRAJVVJNR-QBFSEMIESA-N 1 2 314.345 2.401 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414592934 404689252 /nfs/dbraw/zinc/68/92/52/404689252.db2.gz ZWOASPBHRYLGQD-ARRLWOLASA-N 1 2 306.362 2.080 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414592934 404689256 /nfs/dbraw/zinc/68/92/56/404689256.db2.gz ZWOASPBHRYLGQD-ARRLWOLASA-N 1 2 306.362 2.080 10 5 DEBELO CC(=O)c1ccc(N2CCn3cc(C)[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000374711068 277111998 /nfs/dbraw/zinc/11/19/98/277111998.db2.gz GIFZYEXPDGWGHB-UHFFFAOYSA-N 1 2 300.318 2.323 10 5 DEBELO CCNc1cc(Sc2nc(N)cc(N)[nH+]2)cc([N+](=O)[O-])c1 ZINC000150320620 186056828 /nfs/dbraw/zinc/05/68/28/186056828.db2.gz YXKIMRDCFAVGTA-UHFFFAOYSA-N 1 2 306.351 2.132 10 5 DEBELO Cn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1 ZINC000618988328 363659246 /nfs/dbraw/zinc/65/92/46/363659246.db2.gz ODZSDKGFCXPVGU-CQSZACIVSA-N 1 2 301.350 2.236 10 5 DEBELO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899343 194164852 /nfs/dbraw/zinc/16/48/52/194164852.db2.gz CHSQFTPSAAQGEG-NSHDSACASA-N 1 2 305.313 2.163 10 5 DEBELO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000105899343 194164854 /nfs/dbraw/zinc/16/48/54/194164854.db2.gz CHSQFTPSAAQGEG-NSHDSACASA-N 1 2 305.313 2.163 10 5 DEBELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000131068712 401843558 /nfs/dbraw/zinc/84/35/58/401843558.db2.gz XVRXAHBWKJNPHO-UHFFFAOYSA-N 1 2 316.361 2.306 10 5 DEBELO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185411286 402351343 /nfs/dbraw/zinc/35/13/43/402351343.db2.gz PTEXLVLYJXWHQY-GFCCVEGCSA-N 1 2 321.377 2.295 10 5 DEBELO Cc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177797985 402437420 /nfs/dbraw/zinc/43/74/20/402437420.db2.gz WADKCAVCGFFMEB-AWEZNQCLSA-N 1 2 314.345 2.405 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000248646519 402601240 /nfs/dbraw/zinc/60/12/40/402601240.db2.gz SQHHDOWCNIANMV-HUUCEWRRSA-N 1 2 303.362 2.146 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000248646519 402601243 /nfs/dbraw/zinc/60/12/43/402601243.db2.gz SQHHDOWCNIANMV-HUUCEWRRSA-N 1 2 303.362 2.146 10 5 DEBELO COC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133986352 196352275 /nfs/dbraw/zinc/35/22/75/196352275.db2.gz WVGUGELKZFWTJD-JTQLQIEISA-N 1 2 313.741 2.179 10 5 DEBELO COC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133986352 196352277 /nfs/dbraw/zinc/35/22/77/196352277.db2.gz WVGUGELKZFWTJD-JTQLQIEISA-N 1 2 313.741 2.179 10 5 DEBELO CC1(C)CC[C@]([NH3+])(C(F)(F)CO)c2cc([N+](=O)[O-])ccc21 ZINC000095642911 278285135 /nfs/dbraw/zinc/28/51/35/278285135.db2.gz GYBWLSUQKNTQJI-CYBMUJFWSA-N 1 2 300.305 2.448 10 5 DEBELO Cc1ccc([C@H](C)[NH2+]Cc2nnnn2C(C)C)cc1[N+](=O)[O-] ZINC000181841488 356098308 /nfs/dbraw/zinc/09/83/08/356098308.db2.gz HPOOUMOQUZIBPM-NSHDSACASA-N 1 2 304.354 2.321 10 5 DEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889447 194158584 /nfs/dbraw/zinc/15/85/84/194158584.db2.gz NJRLHBGNJKLMLG-BBRMVZONSA-N 1 2 316.361 2.253 10 5 DEBELO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000105889447 194158585 /nfs/dbraw/zinc/15/85/85/194158585.db2.gz NJRLHBGNJKLMLG-BBRMVZONSA-N 1 2 316.361 2.253 10 5 DEBELO Cc1c(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cccc1[N+](=O)[O-] ZINC000105890322 194159110 /nfs/dbraw/zinc/15/91/10/194159110.db2.gz SRSIXGPKGQBSSS-HNNXBMFYSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1c(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cccc1[N+](=O)[O-] ZINC000105890322 194159113 /nfs/dbraw/zinc/15/91/13/194159113.db2.gz SRSIXGPKGQBSSS-HNNXBMFYSA-N 1 2 316.361 2.001 10 5 DEBELO C[C@H]1CCOCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000362241236 133219222 /nfs/dbraw/zinc/21/92/22/133219222.db2.gz XGAMURPPDLGFIB-NSHDSACASA-N 1 2 318.333 2.256 10 5 DEBELO C[C@H]1CCOCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000362241236 133219223 /nfs/dbraw/zinc/21/92/23/133219223.db2.gz XGAMURPPDLGFIB-NSHDSACASA-N 1 2 318.333 2.256 10 5 DEBELO C[C@H]1CCN(c2cc(N)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000249283672 145181544 /nfs/dbraw/zinc/18/15/44/145181544.db2.gz NKYITOKFQMGZQW-XHDPSFHLSA-N 1 2 301.350 2.461 10 5 DEBELO Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177797970 402437485 /nfs/dbraw/zinc/43/74/85/402437485.db2.gz WADKCAVCGFFMEB-CQSZACIVSA-N 1 2 314.345 2.405 10 5 DEBELO CCN(CCO)c1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301227639 403602493 /nfs/dbraw/zinc/60/24/93/403602493.db2.gz HMKUQBRQPHBQCN-UHFFFAOYSA-N 1 2 302.334 2.179 10 5 DEBELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccccc2[N+](=O)[O-])C1 ZINC000570141962 406351501 /nfs/dbraw/zinc/35/15/01/406351501.db2.gz AROZXRVTURQLSC-CQSZACIVSA-N 1 2 305.378 2.142 10 5 DEBELO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccccc2[N+](=O)[O-])C1 ZINC000570141962 406351507 /nfs/dbraw/zinc/35/15/07/406351507.db2.gz AROZXRVTURQLSC-CQSZACIVSA-N 1 2 305.378 2.142 10 5 DEBELO COC(=O)N[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133984660 196351393 /nfs/dbraw/zinc/35/13/93/196351393.db2.gz PQMUTSVWQTUTDT-JTQLQIEISA-N 1 2 313.741 2.179 10 5 DEBELO COC(=O)N[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000133984660 196351394 /nfs/dbraw/zinc/35/13/94/196351394.db2.gz PQMUTSVWQTUTDT-JTQLQIEISA-N 1 2 313.741 2.179 10 5 DEBELO COc1c(C)c[nH+]c(Cn2cc([N+](=O)[O-])cc(C)c2=O)c1C ZINC000155909363 277363556 /nfs/dbraw/zinc/36/35/56/277363556.db2.gz WITKYOHRGCLMGW-UHFFFAOYSA-N 1 2 303.318 2.134 10 5 DEBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801563681 645416293 /nfs/dbraw/zinc/41/62/93/645416293.db2.gz GSDRRKDIAIHOAX-CYBMUJFWSA-N 1 2 316.304 2.330 10 5 DEBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801563681 645416298 /nfs/dbraw/zinc/41/62/98/645416298.db2.gz GSDRRKDIAIHOAX-CYBMUJFWSA-N 1 2 316.304 2.330 10 5 DEBELO C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000141017006 186029002 /nfs/dbraw/zinc/02/90/02/186029002.db2.gz XLUUFMDEZFSYTM-SECBINFHSA-N 1 2 306.347 2.287 10 5 DEBELO COC(=O)[C@H](COc1cc([N+](=O)[O-])ccc1Cl)[NH2+]C(C)C ZINC000069507974 184520634 /nfs/dbraw/zinc/52/06/34/184520634.db2.gz PTQXIUWFAKWNFM-NSHDSACASA-N 1 2 316.741 2.167 10 5 DEBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262533347 145290509 /nfs/dbraw/zinc/29/05/09/145290509.db2.gz PYQPNSLDHOVVOZ-CDMKHQONSA-N 1 2 305.334 2.160 10 5 DEBELO COC(=O)[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000358823535 147213523 /nfs/dbraw/zinc/21/35/23/147213523.db2.gz WFQDHNIEHIDGSQ-ZDUSSCGKSA-N 1 2 312.753 2.332 10 5 DEBELO CCn1c2ccc(F)cc2[nH+]c1Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000174097407 402726646 /nfs/dbraw/zinc/72/66/46/402726646.db2.gz CJPCFXDKIWXJJL-UHFFFAOYSA-N 1 2 316.292 2.314 10 5 DEBELO CC[C@@H](NC(=O)NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000175584217 402819401 /nfs/dbraw/zinc/81/94/01/402819401.db2.gz SVXGXGPSVPDRBG-CQSZACIVSA-N 1 2 317.349 2.242 10 5 DEBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000131449879 196169639 /nfs/dbraw/zinc/16/96/39/196169639.db2.gz GMQRDOXJFJJEKE-UHFFFAOYSA-N 1 2 302.334 2.377 10 5 DEBELO C[C@@H]([NH3+])c1nc(C(=O)Nc2c(F)cccc2[N+](=O)[O-])cs1 ZINC000132588748 196268557 /nfs/dbraw/zinc/26/85/57/196268557.db2.gz JRBJNBIKWFDSFI-ZCFIWIBFSA-N 1 2 310.310 2.462 10 5 DEBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000247150050 536699535 /nfs/dbraw/zinc/69/95/35/536699535.db2.gz XJHFUYYKFLSGMD-PMPSAXMXSA-N 1 2 306.362 2.363 10 5 DEBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000247150050 536699538 /nfs/dbraw/zinc/69/95/38/536699538.db2.gz XJHFUYYKFLSGMD-PMPSAXMXSA-N 1 2 306.362 2.363 10 5 DEBELO Cc1csc([C@@H]2CCC[N@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000195305412 685094018 /nfs/dbraw/zinc/09/40/18/685094018.db2.gz LCYBYPJDFHSZOR-LLVKDONJSA-N 1 2 307.379 2.393 10 5 DEBELO Cc1csc([C@@H]2CCC[N@@H+](Cn3cc([N+](=O)[O-])cn3)C2)n1 ZINC000195305412 685094025 /nfs/dbraw/zinc/09/40/25/685094025.db2.gz LCYBYPJDFHSZOR-LLVKDONJSA-N 1 2 307.379 2.393 10 5 DEBELO O=[N+]([O-])c1cc(Br)cnc1NCCc1c[nH]c[nH+]1 ZINC000087544497 185228243 /nfs/dbraw/zinc/22/82/43/185228243.db2.gz BQALPIWZBXFFJJ-UHFFFAOYSA-N 1 2 312.127 2.130 10 5 DEBELO O=[N+]([O-])c1cc(Br)cnc1NCCc1c[nH+]c[nH]1 ZINC000087544497 185228244 /nfs/dbraw/zinc/22/82/44/185228244.db2.gz BQALPIWZBXFFJJ-UHFFFAOYSA-N 1 2 312.127 2.130 10 5 DEBELO CC(C)c1[nH]nc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000610922984 361492812 /nfs/dbraw/zinc/49/28/12/361492812.db2.gz AHPOLXQRLRAOSA-UHFFFAOYSA-N 1 2 314.305 2.341 10 5 DEBELO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000263081314 145323254 /nfs/dbraw/zinc/32/32/54/145323254.db2.gz XOTXEWIKAAJRCQ-KOLCDFICSA-N 1 2 313.304 2.078 10 5 DEBELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124678721 402191656 /nfs/dbraw/zinc/19/16/56/402191656.db2.gz UCTZSWRCEQXSGW-UHFFFAOYSA-N 1 2 318.337 2.164 10 5 DEBELO Cc1sc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000177794109 402437110 /nfs/dbraw/zinc/43/71/10/402437110.db2.gz XKBIACWLINZDPS-LLVKDONJSA-N 1 2 320.374 2.466 10 5 DEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191170458 402647544 /nfs/dbraw/zinc/64/75/44/402647544.db2.gz AVHOMDAXNQJNLP-KYOSRNDESA-N 1 2 304.346 2.368 10 5 DEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000191170458 402647545 /nfs/dbraw/zinc/64/75/45/402647545.db2.gz AVHOMDAXNQJNLP-KYOSRNDESA-N 1 2 304.346 2.368 10 5 DEBELO CNc1cc(Nc2ccc(OCCOC)cc2[N+](=O)[O-])nc[nH+]1 ZINC000584635797 337376079 /nfs/dbraw/zinc/37/60/79/337376079.db2.gz WYXQKQOGLLDFNR-UHFFFAOYSA-N 1 2 319.321 2.195 10 5 DEBELO CC[C@H](NC(=O)NCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000090073712 185280640 /nfs/dbraw/zinc/28/06/40/185280640.db2.gz SVXGXGPSVPDRBG-AWEZNQCLSA-N 1 2 317.349 2.242 10 5 DEBELO O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2[nH+]ccn2c1 ZINC000609618909 361329007 /nfs/dbraw/zinc/32/90/07/361329007.db2.gz AQWPDVPTGFQWQM-UHFFFAOYSA-N 1 2 312.285 2.260 10 5 DEBELO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])o1 ZINC000192532402 145075181 /nfs/dbraw/zinc/07/51/81/145075181.db2.gz BNCYDLPEFZQTAY-SNVBAGLBSA-N 1 2 303.318 2.446 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248693437 145164462 /nfs/dbraw/zinc/16/44/62/145164462.db2.gz YFOVCBRHJJCBLT-CVEARBPZSA-N 1 2 306.362 2.283 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248693437 145164463 /nfs/dbraw/zinc/16/44/63/145164463.db2.gz YFOVCBRHJJCBLT-CVEARBPZSA-N 1 2 306.362 2.283 10 5 DEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc[nH+]c1N(C)C ZINC000049728410 402021012 /nfs/dbraw/zinc/02/10/12/402021012.db2.gz QLINOKZBWAIEHK-UHFFFAOYSA-N 1 2 301.306 2.012 10 5 DEBELO CC[C@H]([NH2+]Cc1nc(CCOC)no1)c1cccc([N+](=O)[O-])c1 ZINC000181538239 402648942 /nfs/dbraw/zinc/64/89/42/402648942.db2.gz FKWRJXZUAZVSTN-ZDUSSCGKSA-N 1 2 320.349 2.408 10 5 DEBELO Cc1ccc([C@@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000191609295 402681432 /nfs/dbraw/zinc/68/14/32/402681432.db2.gz ZHWOGLXJMYPWDV-SNVBAGLBSA-N 1 2 305.338 2.203 10 5 DEBELO O=[N+]([O-])c1ccc(C[NH+]2CC(O)(c3ccc(F)cc3)C2)cc1 ZINC000364328461 527349338 /nfs/dbraw/zinc/34/93/38/527349338.db2.gz NTJAKADDUIXEGV-UHFFFAOYSA-N 1 2 302.305 2.437 10 5 DEBELO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1 ZINC000076745222 185039019 /nfs/dbraw/zinc/03/90/19/185039019.db2.gz QBULQAIFIIBFNL-CYBMUJFWSA-N 1 2 318.333 2.256 10 5 DEBELO C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1 ZINC000076745222 185039024 /nfs/dbraw/zinc/03/90/24/185039024.db2.gz QBULQAIFIIBFNL-CYBMUJFWSA-N 1 2 318.333 2.256 10 5 DEBELO Cc1[nH+]c(N)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000071663438 191000055 /nfs/dbraw/zinc/00/00/55/191000055.db2.gz HTIXFFRDMHACPX-UHFFFAOYSA-N 1 2 317.261 2.041 10 5 DEBELO Cc1cc(NCc2cccnc2-n2cc[nH+]c2)ncc1[N+](=O)[O-] ZINC000080597987 192172108 /nfs/dbraw/zinc/17/21/08/192172108.db2.gz YPHFGYAIXVSJFZ-UHFFFAOYSA-N 1 2 310.317 2.491 10 5 DEBELO O=C(NCCCc1[nH]cc[nH+]1)c1cccc([N+](=O)[O-])c1Cl ZINC000139445465 186022195 /nfs/dbraw/zinc/02/21/95/186022195.db2.gz ZUKIFQHIJFFUGO-UHFFFAOYSA-N 1 2 308.725 2.334 10 5 DEBELO CCOC(=O)C(F)(F)[C@]1([NH3+])CCCc2ccc([N+](=O)[O-])cc21 ZINC000214830113 356271369 /nfs/dbraw/zinc/27/13/69/356271369.db2.gz YXMOWJXNAAIBEA-ZDUSSCGKSA-N 1 2 314.288 2.284 10 5 DEBELO C[C@@H]([NH2+]Cc1nnc(C2CC2)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180395236 199153648 /nfs/dbraw/zinc/15/36/48/199153648.db2.gz WDYPBUMTFASROX-SNVBAGLBSA-N 1 2 301.350 2.452 10 5 DEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CC2)C1 ZINC000611813096 361688499 /nfs/dbraw/zinc/68/84/99/361688499.db2.gz CBGAHJGMBHCDQF-GFCCVEGCSA-N 1 2 319.361 2.034 10 5 DEBELO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CC2)C1 ZINC000611813096 361688504 /nfs/dbraw/zinc/68/85/04/361688504.db2.gz CBGAHJGMBHCDQF-GFCCVEGCSA-N 1 2 319.361 2.034 10 5 DEBELO O=[N+]([O-])c1cccc(-c2nnc(C[NH+]3CCSCC3)o2)c1 ZINC000020457262 182220074 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CO[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189288253 145024824 /nfs/dbraw/zinc/02/48/24/145024824.db2.gz HSOBZQMYWCVVQL-SWLSCSKDSA-N 1 2 321.377 2.199 10 5 DEBELO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189288253 145024826 /nfs/dbraw/zinc/02/48/26/145024826.db2.gz HSOBZQMYWCVVQL-SWLSCSKDSA-N 1 2 321.377 2.199 10 5 DEBELO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)C(F)(F)F)C1CC1 ZINC000121784091 402052208 /nfs/dbraw/zinc/05/22/08/402052208.db2.gz AFRYILNSBQPLGY-GFCCVEGCSA-N 1 2 304.268 2.482 10 5 DEBELO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)C(F)(F)F)C1CC1 ZINC000121784091 402052210 /nfs/dbraw/zinc/05/22/10/402052210.db2.gz AFRYILNSBQPLGY-GFCCVEGCSA-N 1 2 304.268 2.482 10 5 DEBELO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157716070 402297751 /nfs/dbraw/zinc/29/77/51/402297751.db2.gz WQLHTYTUTXSPAU-UHFFFAOYSA-N 1 2 321.377 2.152 10 5 DEBELO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177734233 402430932 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DEBELO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000801893377 645458347 /nfs/dbraw/zinc/45/83/47/645458347.db2.gz UQHMNIHMJIYDKU-UHFFFAOYSA-N 1 2 315.264 2.216 10 5 DEBELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000220591986 356274432 /nfs/dbraw/zinc/27/44/32/356274432.db2.gz AHYASWAMKAOASI-SNVBAGLBSA-N 1 2 300.318 2.370 10 5 DEBELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000220591986 356274434 /nfs/dbraw/zinc/27/44/34/356274434.db2.gz AHYASWAMKAOASI-SNVBAGLBSA-N 1 2 300.318 2.370 10 5 DEBELO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000187036226 200050613 /nfs/dbraw/zinc/05/06/13/200050613.db2.gz QCJWQPDELHRDGP-RISCZKNCSA-N 1 2 321.377 2.103 10 5 DEBELO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@H](C)C1 ZINC000187036226 200050615 /nfs/dbraw/zinc/05/06/15/200050615.db2.gz QCJWQPDELHRDGP-RISCZKNCSA-N 1 2 321.377 2.103 10 5 DEBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@@H+]2CCOCC2(C)C)n1 ZINC000611616191 361645537 /nfs/dbraw/zinc/64/55/37/361645537.db2.gz TVHFYSCURLTXAM-UHFFFAOYSA-N 1 2 308.382 2.129 10 5 DEBELO Cc1cc(C)c([N+](=O)[O-])c(NCC[N@H+]2CCOCC2(C)C)n1 ZINC000611616191 361645541 /nfs/dbraw/zinc/64/55/41/361645541.db2.gz TVHFYSCURLTXAM-UHFFFAOYSA-N 1 2 308.382 2.129 10 5 DEBELO COc1ccccc1Oc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040661620 183114821 /nfs/dbraw/zinc/11/48/21/183114821.db2.gz XOTXVJDBUMNABQ-UHFFFAOYSA-N 1 2 313.273 2.371 10 5 DEBELO Cc1c(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cccc1[N+](=O)[O-] ZINC000105890324 194159567 /nfs/dbraw/zinc/15/95/67/194159567.db2.gz SRSIXGPKGQBSSS-OAHLLOKOSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1c(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cccc1[N+](=O)[O-] ZINC000105890324 194159570 /nfs/dbraw/zinc/15/95/70/194159570.db2.gz SRSIXGPKGQBSSS-OAHLLOKOSA-N 1 2 316.361 2.001 10 5 DEBELO COC(=O)[C@@H](CCSc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC1 ZINC000062596633 184244994 /nfs/dbraw/zinc/24/49/94/184244994.db2.gz VZMNRPKGTAFAGO-CYBMUJFWSA-N 1 2 310.375 2.371 10 5 DEBELO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154401243 402210643 /nfs/dbraw/zinc/21/06/43/402210643.db2.gz RZSNDYVNSDGKTJ-FZMZJTMJSA-N 1 2 324.377 2.290 10 5 DEBELO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154401243 402210645 /nfs/dbraw/zinc/21/06/45/402210645.db2.gz RZSNDYVNSDGKTJ-FZMZJTMJSA-N 1 2 324.377 2.290 10 5 DEBELO CC[C@H]([NH2+]Cc1nnnn1C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181562252 402649751 /nfs/dbraw/zinc/64/97/51/402649751.db2.gz XKBXBTYVXDNYIC-ZDUSSCGKSA-N 1 2 304.354 2.403 10 5 DEBELO CN(C)c1cc[nH+]cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000183616457 402782296 /nfs/dbraw/zinc/78/22/96/402782296.db2.gz GXBTZINEMASADO-UHFFFAOYSA-N 1 2 302.290 2.014 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000337474811 404048488 /nfs/dbraw/zinc/04/84/88/404048488.db2.gz OPWYHGMBEKLUSK-UKTHLTGXSA-N 1 2 315.373 2.305 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCN(C2CC2)C(=O)C1 ZINC000337474811 404048491 /nfs/dbraw/zinc/04/84/91/404048491.db2.gz OPWYHGMBEKLUSK-UKTHLTGXSA-N 1 2 315.373 2.305 10 5 DEBELO O=[N+]([O-])c1ccc(CO)cc1N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000302070965 534881742 /nfs/dbraw/zinc/88/17/42/534881742.db2.gz VTHKWMPINCMWQV-CQSZACIVSA-N 1 2 315.329 2.140 10 5 DEBELO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754415 625083388 /nfs/dbraw/zinc/08/33/88/625083388.db2.gz DXPOULITIQNRNA-GFCCVEGCSA-N 1 2 318.308 2.235 10 5 DEBELO C/C(=C\C(=O)OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000752342612 639174073 /nfs/dbraw/zinc/17/40/73/639174073.db2.gz FKKNGWLGESPMSX-ZRDIBKRKSA-N 1 2 301.302 2.438 10 5 DEBELO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCn2cc[nH+]c2C1 ZINC000149245301 186048693 /nfs/dbraw/zinc/04/86/93/186048693.db2.gz ZJJOSJAPXAKWQU-UHFFFAOYSA-N 1 2 306.709 2.101 10 5 DEBELO COc1ccc(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000173453488 198216436 /nfs/dbraw/zinc/21/64/36/198216436.db2.gz MKSHMIGTYUWMJO-VXGBXAGGSA-N 1 2 310.350 2.091 10 5 DEBELO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)CS(C)(=O)=O ZINC000183347481 356168976 /nfs/dbraw/zinc/16/89/76/356168976.db2.gz RSFOBCBFUOVJCF-GFCCVEGCSA-N 1 2 314.407 2.158 10 5 DEBELO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)[C@H](C)CS(C)(=O)=O ZINC000183347481 356168979 /nfs/dbraw/zinc/16/89/79/356168979.db2.gz RSFOBCBFUOVJCF-GFCCVEGCSA-N 1 2 314.407 2.158 10 5 DEBELO CC(=O)c1ccc(NC2CC([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000599093996 359402090 /nfs/dbraw/zinc/40/20/90/359402090.db2.gz CJPSYDVJDWWYRD-UHFFFAOYSA-N 1 2 319.361 2.073 10 5 DEBELO O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1-n1cc[nH+]c1 ZINC000040627876 183110939 /nfs/dbraw/zinc/11/09/39/183110939.db2.gz DDDYWLSJUKZUSJ-UHFFFAOYSA-N 1 2 300.253 2.453 10 5 DEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000248873999 145171213 /nfs/dbraw/zinc/17/12/13/145171213.db2.gz VNHQSSZZUKLUMT-QEJZJMRPSA-N 1 2 304.346 2.368 10 5 DEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000248873999 145171215 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DEBELO C[C@@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448699793 405438337 /nfs/dbraw/zinc/43/83/37/405438337.db2.gz NHVOSKRGQJVVBF-ZYHUDNBSSA-N 1 2 300.318 2.166 10 5 DEBELO CC1(C)C[C@H]1NC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448773837 405447134 /nfs/dbraw/zinc/44/71/34/405447134.db2.gz WYCCCTMEFYYRHC-CYBMUJFWSA-N 1 2 300.318 2.309 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000153806214 424860409 /nfs/dbraw/zinc/86/04/09/424860409.db2.gz PNTLWXFHSXOTEJ-LLVKDONJSA-N 1 2 302.334 2.166 10 5 DEBELO Cc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292589993 280583448 /nfs/dbraw/zinc/58/34/48/280583448.db2.gz LOXXDTHMMGYLTH-WBMJQRKESA-N 1 2 323.368 2.199 10 5 DEBELO C[C@@H]1c2ccsc2CCN1c1[nH+]c(NN)ccc1[N+](=O)[O-] ZINC000159718533 186137335 /nfs/dbraw/zinc/13/73/35/186137335.db2.gz MLNDMEMGIBENIZ-MRVPVSSYSA-N 1 2 305.363 2.461 10 5 DEBELO Cc1ccc(C2CCN(c3c([N+](=O)[O-])ncn3C)CC2)c[nH+]1 ZINC000611931612 361707211 /nfs/dbraw/zinc/70/72/11/361707211.db2.gz FCBYRXXVODBAJY-UHFFFAOYSA-N 1 2 301.350 2.416 10 5 DEBELO O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1-n1cc[nH+]c1 ZINC000040649451 183114228 /nfs/dbraw/zinc/11/42/28/183114228.db2.gz JYJSDCHPZVLZSV-UHFFFAOYSA-N 1 2 300.253 2.453 10 5 DEBELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121969938 195383881 /nfs/dbraw/zinc/38/38/81/195383881.db2.gz UBEJQWDHSLJEJW-GFCCVEGCSA-N 1 2 311.769 2.301 10 5 DEBELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000121969938 195383882 /nfs/dbraw/zinc/38/38/82/195383882.db2.gz UBEJQWDHSLJEJW-GFCCVEGCSA-N 1 2 311.769 2.301 10 5 DEBELO Cc1cc(NN)[nH+]c(COc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000122022480 195391408 /nfs/dbraw/zinc/39/14/08/195391408.db2.gz ITDKDYAVSFSLMP-UHFFFAOYSA-N 1 2 309.713 2.211 10 5 DEBELO CC[C@@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000192785959 402749779 /nfs/dbraw/zinc/74/97/79/402749779.db2.gz QGIAHNYQFBWTJC-GFCCVEGCSA-N 1 2 305.338 2.285 10 5 DEBELO Nc1ccc([N+](=O)[O-])c(N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000193499876 402771473 /nfs/dbraw/zinc/77/14/73/402771473.db2.gz CVYUNNWRTJGTSI-UHFFFAOYSA-N 1 2 313.361 2.289 10 5 DEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000131505842 196175845 /nfs/dbraw/zinc/17/58/45/196175845.db2.gz HQEMSXHQRKXOPC-UHFFFAOYSA-N 1 2 317.349 2.081 10 5 DEBELO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000302856596 280365377 /nfs/dbraw/zinc/36/53/77/280365377.db2.gz LWSLHABTCFYLQH-UHFFFAOYSA-N 1 2 316.336 2.451 10 5 DEBELO Cc1ccc([C@@H](C)[NH2+]Cc2nnnn2C(C)C)cc1[N+](=O)[O-] ZINC000181841468 356098695 /nfs/dbraw/zinc/09/86/95/356098695.db2.gz HPOOUMOQUZIBPM-LLVKDONJSA-N 1 2 304.354 2.321 10 5 DEBELO C[NH2+][C@]1(C(=O)OC)CC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093848693 193317603 /nfs/dbraw/zinc/31/76/03/193317603.db2.gz BSBINFLGJYIWSV-GXTWGEPZSA-N 1 2 310.375 2.371 10 5 DEBELO CC[NH2+][C@@](C)(COc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000045462468 183510362 /nfs/dbraw/zinc/51/03/62/183510362.db2.gz CVXRXCJKEUSNGU-ZDUSSCGKSA-N 1 2 316.741 2.168 10 5 DEBELO CC[N@H+](CCS(C)(=O)=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154244310 402201321 /nfs/dbraw/zinc/20/13/21/402201321.db2.gz OYWNUPALYVWRTM-NSHDSACASA-N 1 2 300.380 2.022 10 5 DEBELO CC[N@@H+](CCS(C)(=O)=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154244310 402201323 /nfs/dbraw/zinc/20/13/23/402201323.db2.gz OYWNUPALYVWRTM-NSHDSACASA-N 1 2 300.380 2.022 10 5 DEBELO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000177757148 402432996 /nfs/dbraw/zinc/43/29/96/402432996.db2.gz DQIXHYKTJOAHBB-CQSZACIVSA-N 1 2 314.345 2.405 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414592936 404689037 /nfs/dbraw/zinc/68/90/37/404689037.db2.gz ZWOASPBHRYLGQD-JTCCWOMRSA-N 1 2 306.362 2.080 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000414592936 404689039 /nfs/dbraw/zinc/68/90/39/404689039.db2.gz ZWOASPBHRYLGQD-JTCCWOMRSA-N 1 2 306.362 2.080 10 5 DEBELO CCOc1ccc(C(=O)NCc2[nH+]ccn2CC)cc1[N+](=O)[O-] ZINC000456099988 405499379 /nfs/dbraw/zinc/49/93/79/405499379.db2.gz NGMLCLXCVNIFJA-UHFFFAOYSA-N 1 2 318.333 2.140 10 5 DEBELO C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000571057672 406473423 /nfs/dbraw/zinc/47/34/23/406473423.db2.gz CATGIYGRCDDHHE-CQSZACIVSA-N 1 2 323.368 2.281 10 5 DEBELO C[N@H+]1CCO[C@@H](CN(CC2CC2)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000571057672 406473428 /nfs/dbraw/zinc/47/34/28/406473428.db2.gz CATGIYGRCDDHHE-CQSZACIVSA-N 1 2 323.368 2.281 10 5 DEBELO Cc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292589980 533917218 /nfs/dbraw/zinc/91/72/18/533917218.db2.gz LOXXDTHMMGYLTH-MLGOLLRUSA-N 1 2 323.368 2.199 10 5 DEBELO C[N@@H+]1CCO[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234356079 624548848 /nfs/dbraw/zinc/54/88/48/624548848.db2.gz VHNJDRVTUROXFW-QMMMGPOBSA-N 1 2 303.721 2.130 10 5 DEBELO C[N@H+]1CCO[C@@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234356079 624548850 /nfs/dbraw/zinc/54/88/50/624548850.db2.gz VHNJDRVTUROXFW-QMMMGPOBSA-N 1 2 303.721 2.130 10 5 DEBELO C[C@@H](CO)[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235137362 635969843 /nfs/dbraw/zinc/96/98/43/635969843.db2.gz XOYMLBPAZLQBPT-QMMMGPOBSA-N 1 2 303.156 2.170 10 5 DEBELO C[C@@H](CO)[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000235137362 635969845 /nfs/dbraw/zinc/96/98/45/635969845.db2.gz XOYMLBPAZLQBPT-QMMMGPOBSA-N 1 2 303.156 2.170 10 5 DEBELO CCOCCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000183332750 356168317 /nfs/dbraw/zinc/16/83/17/356168317.db2.gz XXUKLYBNDNRNJX-HNNXBMFYSA-N 1 2 321.421 2.446 10 5 DEBELO CCOCCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000183332750 356168318 /nfs/dbraw/zinc/16/83/18/356168318.db2.gz XXUKLYBNDNRNJX-HNNXBMFYSA-N 1 2 321.421 2.446 10 5 DEBELO Cn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)nn1 ZINC000618988327 363659195 /nfs/dbraw/zinc/65/91/95/363659195.db2.gz ODZSDKGFCXPVGU-AWEZNQCLSA-N 1 2 301.350 2.236 10 5 DEBELO O=[N+]([O-])c1cnc(N2CC[C@@H](CNc3cccc[nH+]3)C2)s1 ZINC000190323341 200518621 /nfs/dbraw/zinc/51/86/21/200518621.db2.gz SPDDHJNWSYZMGV-JTQLQIEISA-N 1 2 305.363 2.385 10 5 DEBELO C[NH2+][C@]1(C(=O)OC)CC[C@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093848729 193317231 /nfs/dbraw/zinc/31/72/31/193317231.db2.gz FTEQMBIVZCFAIE-IINYFYTJSA-N 1 2 310.375 2.371 10 5 DEBELO CCOC(=O)[C@H](CCOc1ccc([N+](=O)[O-])cc1Cl)[NH2+]C ZINC000062539695 184241490 /nfs/dbraw/zinc/24/14/90/184241490.db2.gz MEZCRNAQVBDKCA-NSHDSACASA-N 1 2 316.741 2.168 10 5 DEBELO O=[N+]([O-])c1ccc(N2CCN(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000301875271 285125561 /nfs/dbraw/zinc/12/55/61/285125561.db2.gz JZMHZQGJXMJKBH-UHFFFAOYSA-N 1 2 324.344 2.193 10 5 DEBELO Cc1sc(C(=O)NC[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000153738751 402166774 /nfs/dbraw/zinc/16/67/74/402166774.db2.gz GULTZRULBDDRHJ-VIFPVBQESA-N 1 2 308.363 2.227 10 5 DEBELO Cc1ccc(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)[nH+]1 ZINC000186364842 402425553 /nfs/dbraw/zinc/42/55/53/402425553.db2.gz ULYUKIIRRITDHB-UHFFFAOYSA-N 1 2 311.297 2.403 10 5 DEBELO Cc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000292589968 403371183 /nfs/dbraw/zinc/37/11/83/403371183.db2.gz LOXXDTHMMGYLTH-LRDDRELGSA-N 1 2 323.368 2.199 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337550765 404092894 /nfs/dbraw/zinc/09/28/94/404092894.db2.gz RPOUTPGMPWQLTR-BWODNOAJSA-N 1 2 303.362 2.161 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337550765 404092901 /nfs/dbraw/zinc/09/29/01/404092901.db2.gz RPOUTPGMPWQLTR-BWODNOAJSA-N 1 2 303.362 2.161 10 5 DEBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414592937 404689113 /nfs/dbraw/zinc/68/91/13/404689113.db2.gz ZWOASPBHRYLGQD-KANSDYPASA-N 1 2 306.362 2.080 10 5 DEBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000414592937 404689114 /nfs/dbraw/zinc/68/91/14/404689114.db2.gz ZWOASPBHRYLGQD-KANSDYPASA-N 1 2 306.362 2.080 10 5 DEBELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000131170852 196146682 /nfs/dbraw/zinc/14/66/82/196146682.db2.gz MMMVSAFLWLYVQW-UHFFFAOYSA-N 1 2 302.334 2.377 10 5 DEBELO C[NH+](C)CC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000182148663 224910934 /nfs/dbraw/zinc/91/09/34/224910934.db2.gz ZEXFYOHABQKNJU-UHFFFAOYSA-N 1 2 321.377 2.151 10 5 DEBELO O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000302038244 230053697 /nfs/dbraw/zinc/05/36/97/230053697.db2.gz MUDSDJFUEUWUGH-CYBMUJFWSA-N 1 2 314.345 2.173 10 5 DEBELO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc[nH]2)ccc1Br ZINC000088750917 185263878 /nfs/dbraw/zinc/26/38/78/185263878.db2.gz RFATZZZACQBPKY-UHFFFAOYSA-N 1 2 311.139 2.370 10 5 DEBELO O=C(NCCCc1[nH]cc[nH+]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000139451021 186022509 /nfs/dbraw/zinc/02/25/09/186022509.db2.gz PNUHZIWPMLBNHE-UHFFFAOYSA-N 1 2 308.725 2.334 10 5 DEBELO O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c1 ZINC000074859563 191373781 /nfs/dbraw/zinc/37/37/81/191373781.db2.gz KTPTUMFCSZAVIY-UHFFFAOYSA-N 1 2 318.314 2.043 10 5 DEBELO CCCc1[nH]nc(C(=O)Nc2ccc3[nH+]ccn3c2)c1[N+](=O)[O-] ZINC000609989173 361351390 /nfs/dbraw/zinc/35/13/90/361351390.db2.gz HOIOTCBELIINNU-UHFFFAOYSA-N 1 2 314.305 2.170 10 5 DEBELO Cc1ccc([N+](=O)[O-])c(NCc2cccnc2-n2cc[nH+]c2)n1 ZINC000121066027 195289394 /nfs/dbraw/zinc/28/93/94/195289394.db2.gz WWVHLDXJGPCUII-UHFFFAOYSA-N 1 2 310.317 2.491 10 5 DEBELO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO1 ZINC000187829761 145003713 /nfs/dbraw/zinc/00/37/13/145003713.db2.gz NFBXYCKXVXMKBW-ZDUSSCGKSA-N 1 2 318.333 2.256 10 5 DEBELO C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCCO1 ZINC000187829761 145003715 /nfs/dbraw/zinc/00/37/15/145003715.db2.gz NFBXYCKXVXMKBW-ZDUSSCGKSA-N 1 2 318.333 2.256 10 5 DEBELO C[C@H]1C[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357307505 147084390 /nfs/dbraw/zinc/08/43/90/147084390.db2.gz USMSDUKGAWNROS-GXTWGEPZSA-N 1 2 305.378 2.495 10 5 DEBELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131081997 401843896 /nfs/dbraw/zinc/84/38/96/401843896.db2.gz CXQCUMWCEYTYNH-UHFFFAOYSA-N 1 2 316.361 2.306 10 5 DEBELO CC[C@@H](NC(=O)Cc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000187169265 402486649 /nfs/dbraw/zinc/48/66/49/402486649.db2.gz AUZROEDAVZWETD-CQSZACIVSA-N 1 2 302.334 2.138 10 5 DEBELO CCn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000191717440 402688051 /nfs/dbraw/zinc/68/80/51/402688051.db2.gz MDYRKNRWYHUPPG-MRXNPFEDSA-N 1 2 316.361 2.385 10 5 DEBELO CCn1cc([C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)cn1 ZINC000191717440 402688053 /nfs/dbraw/zinc/68/80/53/402688053.db2.gz MDYRKNRWYHUPPG-MRXNPFEDSA-N 1 2 316.361 2.385 10 5 DEBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000302803207 403728729 /nfs/dbraw/zinc/72/87/29/403728729.db2.gz DJSBREBHIIDOKG-NSHDSACASA-N 1 2 313.785 2.059 10 5 DEBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000302803207 403728731 /nfs/dbraw/zinc/72/87/31/403728731.db2.gz DJSBREBHIIDOKG-NSHDSACASA-N 1 2 313.785 2.059 10 5 DEBELO O=C(NCCCc1[nH]cc[nH+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000141270948 186028996 /nfs/dbraw/zinc/02/89/96/186028996.db2.gz OQYYDCUEFNNICA-UHFFFAOYSA-N 1 2 308.725 2.334 10 5 DEBELO Cc1cc[nH+]cc1N1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000619589549 363835625 /nfs/dbraw/zinc/83/56/25/363835625.db2.gz ZQIJSUTXSBQJLE-UHFFFAOYSA-N 1 2 313.361 2.328 10 5 DEBELO C[NH2+][C@@]1(C(=O)OC)CC[C@@H](Sc2ccccc2[N+](=O)[O-])C1 ZINC000093848732 193317990 /nfs/dbraw/zinc/31/79/90/193317990.db2.gz FTEQMBIVZCFAIE-YGRLFVJLSA-N 1 2 310.375 2.371 10 5 DEBELO CC[NH2+][C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)C(=O)OC ZINC000062539635 184241587 /nfs/dbraw/zinc/24/15/87/184241587.db2.gz HGVNMXBOMIHUHV-NSHDSACASA-N 1 2 316.741 2.168 10 5 DEBELO COC(=O)[C@H]([NH2+]CCCNc1ccc(C)cc1[N+](=O)[O-])C1CC1 ZINC000358825761 147213991 /nfs/dbraw/zinc/21/39/91/147213991.db2.gz XHHANNHGSGCDBC-OAHLLOKOSA-N 1 2 321.377 2.246 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000183309503 402754890 /nfs/dbraw/zinc/75/48/90/402754890.db2.gz SQHHDOWCNIANMV-CABCVRRESA-N 1 2 303.362 2.146 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000183309503 402754893 /nfs/dbraw/zinc/75/48/93/402754893.db2.gz SQHHDOWCNIANMV-CABCVRRESA-N 1 2 303.362 2.146 10 5 DEBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337550767 404093281 /nfs/dbraw/zinc/09/32/81/404093281.db2.gz RPOUTPGMPWQLTR-FFXRNRBCSA-N 1 2 303.362 2.161 10 5 DEBELO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000337550767 404093289 /nfs/dbraw/zinc/09/32/89/404093289.db2.gz RPOUTPGMPWQLTR-FFXRNRBCSA-N 1 2 303.362 2.161 10 5 DEBELO CO[C@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000251655391 268617403 /nfs/dbraw/zinc/61/74/03/268617403.db2.gz HSOBZQMYWCVVQL-WFASDCNBSA-N 1 2 321.377 2.199 10 5 DEBELO CO[C@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000251655391 268617404 /nfs/dbraw/zinc/61/74/04/268617404.db2.gz HSOBZQMYWCVVQL-WFASDCNBSA-N 1 2 321.377 2.199 10 5 DEBELO Cc1nn(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000176166723 624697497 /nfs/dbraw/zinc/69/74/97/624697497.db2.gz VWTIDQXCJMAIRS-GFCCVEGCSA-N 1 2 324.381 2.029 10 5 DEBELO Cc1nn(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000176166723 624697498 /nfs/dbraw/zinc/69/74/98/624697498.db2.gz VWTIDQXCJMAIRS-GFCCVEGCSA-N 1 2 324.381 2.029 10 5 DEBELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)c1ccc([N+](=O)[O-])o1 ZINC000044231775 354231765 /nfs/dbraw/zinc/23/17/65/354231765.db2.gz LAWVOERWNRIFMW-UHFFFAOYSA-N 1 2 320.692 2.419 10 5 DEBELO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000120879324 195256273 /nfs/dbraw/zinc/25/62/73/195256273.db2.gz LKYDUNKZFUZASN-CYBMUJFWSA-N 1 2 321.377 2.151 10 5 DEBELO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000120879324 195256276 /nfs/dbraw/zinc/25/62/76/195256276.db2.gz 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O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171619320 646707608 /nfs/dbraw/zinc/70/76/08/646707608.db2.gz XLQJGGNVKLZKOL-CYBMUJFWSA-N 1 2 305.313 2.163 10 5 DEBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000171619320 646707611 /nfs/dbraw/zinc/70/76/11/646707611.db2.gz XLQJGGNVKLZKOL-CYBMUJFWSA-N 1 2 305.313 2.163 10 5 DEBELO COC(=O)C[C@H]1CSCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000174736761 198378497 /nfs/dbraw/zinc/37/84/97/198378497.db2.gz QLMSKCKXDQPKOK-JTQLQIEISA-N 1 2 316.404 2.137 10 5 DEBELO COC(=O)C[C@H]1CSCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000174736761 198378498 /nfs/dbraw/zinc/37/84/98/198378498.db2.gz QLMSKCKXDQPKOK-JTQLQIEISA-N 1 2 316.404 2.137 10 5 DEBELO CC(=O)N1CC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599084962 359398383 /nfs/dbraw/zinc/39/83/83/359398383.db2.gz GYSPEJOETDUXAS-GFCCVEGCSA-N 1 2 314.345 2.423 10 5 DEBELO O=[N+]([O-])c1cc(C[NH2+]Cc2cc[nH]n2)ccc1Br ZINC000041015302 183156607 /nfs/dbraw/zinc/15/66/07/183156607.db2.gz OJJIVLTYTWLSBI-UHFFFAOYSA-N 1 2 311.139 2.370 10 5 DEBELO C[C@@H]1C[C@@H]1CNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000357307511 147084774 /nfs/dbraw/zinc/08/47/74/147084774.db2.gz USMSDUKGAWNROS-TZMCWYRMSA-N 1 2 305.378 2.495 10 5 DEBELO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185460837 402354538 /nfs/dbraw/zinc/35/45/38/402354538.db2.gz RDPLBRVQJICRFZ-UHFFFAOYSA-N 1 2 321.377 2.151 10 5 DEBELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185953436 402392632 /nfs/dbraw/zinc/39/26/32/402392632.db2.gz APOOSTDAXHXQAG-AWEZNQCLSA-N 1 2 311.769 2.478 10 5 DEBELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185953436 402392633 /nfs/dbraw/zinc/39/26/33/402392633.db2.gz APOOSTDAXHXQAG-AWEZNQCLSA-N 1 2 311.769 2.478 10 5 DEBELO COc1ncc(Br)c(/C=C\[NH+](C)C)c1[N+](=O)[O-] ZINC000090555752 185303208 /nfs/dbraw/zinc/30/32/08/185303208.db2.gz BNKMXMCVPWPRMR-PLNGDYQASA-N 1 2 302.128 2.293 10 5 DEBELO O=C(NCCCc1[nH]cc[nH+]1)c1c(Cl)cccc1[N+](=O)[O-] 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C[NH2+][C@@]1(C(=O)OC)CC[C@H](Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000093848694 193317607 /nfs/dbraw/zinc/31/76/07/193317607.db2.gz BSBINFLGJYIWSV-JSGCOSHPSA-N 1 2 310.375 2.371 10 5 DEBELO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)C(F)(F)F)C2CC2)cc1 ZINC000121863232 195363542 /nfs/dbraw/zinc/36/35/42/195363542.db2.gz PDXKTBNISVBGDB-LBPRGKRZSA-N 1 2 304.268 2.482 10 5 DEBELO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)C(F)(F)F)C2CC2)cc1 ZINC000121863232 195363545 /nfs/dbraw/zinc/36/35/45/195363545.db2.gz PDXKTBNISVBGDB-LBPRGKRZSA-N 1 2 304.268 2.482 10 5 DEBELO Cc1ccc(Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)[nH+]1 ZINC000186336530 402421946 /nfs/dbraw/zinc/42/19/46/402421946.db2.gz KPQHQZDRWGCPNF-UHFFFAOYSA-N 1 2 310.313 2.365 10 5 DEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1[nH+]ccn1C ZINC000273220961 402984125 /nfs/dbraw/zinc/98/41/25/402984125.db2.gz PDMSOIOTZDNKOV-ZRDIBKRKSA-N 1 2 314.345 2.390 10 5 DEBELO Cc1cc(C[NH+]2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)on1 ZINC000302827073 278687082 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ZINC000189793143 402559277 /nfs/dbraw/zinc/55/92/77/402559277.db2.gz IFLAYIMLVGOBIJ-LBPRGKRZSA-N 1 2 307.379 2.393 10 5 DEBELO C[C@@H]1CCOCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000367741939 405141865 /nfs/dbraw/zinc/14/18/65/405141865.db2.gz WQENVVHSQYHBGG-LLVKDONJSA-N 1 2 318.333 2.256 10 5 DEBELO C[C@@H]1CCOCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000367741939 405141869 /nfs/dbraw/zinc/14/18/69/405141869.db2.gz WQENVVHSQYHBGG-LLVKDONJSA-N 1 2 318.333 2.256 10 5 DEBELO Cc1csc([C@@H]2CCC[N@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195305366 685093468 /nfs/dbraw/zinc/09/34/68/685093468.db2.gz DRGYVDWBWJSPLG-LLVKDONJSA-N 1 2 307.379 2.393 10 5 DEBELO Cc1csc([C@@H]2CCC[N@@H+](Cn3nccc3[N+](=O)[O-])C2)n1 ZINC000195305366 685093474 /nfs/dbraw/zinc/09/34/74/685093474.db2.gz DRGYVDWBWJSPLG-LLVKDONJSA-N 1 2 307.379 2.393 10 5 DEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOCC2(CC2)C1 ZINC000611813241 361688328 /nfs/dbraw/zinc/68/83/28/361688328.db2.gz PJTLLSPGGOHNHZ-GFCCVEGCSA-N 1 2 319.361 2.034 10 5 DEBELO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOCC2(CC2)C1 ZINC000611813241 361688332 /nfs/dbraw/zinc/68/83/32/361688332.db2.gz PJTLLSPGGOHNHZ-GFCCVEGCSA-N 1 2 319.361 2.034 10 5 DEBELO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc[nH+]cc1 ZINC000094779989 193397473 /nfs/dbraw/zinc/39/74/73/193397473.db2.gz YRYYURRKEAMMNW-UHFFFAOYSA-N 1 2 311.294 2.238 10 5 DEBELO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(Cn2cc[nH+]c2)CC1 ZINC000062128779 184207157 /nfs/dbraw/zinc/20/71/57/184207157.db2.gz DCVMRFHMFDCECL-UHFFFAOYSA-N 1 2 314.345 2.344 10 5 DEBELO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000121821343 195355297 /nfs/dbraw/zinc/35/52/97/195355297.db2.gz FRIDGYXOHDBUQV-CQSZACIVSA-N 1 2 301.350 2.483 10 5 DEBELO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2nnc[nH]2)cc1 ZINC000121821343 195355298 /nfs/dbraw/zinc/35/52/98/195355298.db2.gz FRIDGYXOHDBUQV-CQSZACIVSA-N 1 2 301.350 2.483 10 5 DEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cccc([N+](=O)[O-])c1 ZINC000044899522 401949799 /nfs/dbraw/zinc/94/97/99/401949799.db2.gz ZOXMBIWPXVQAOO-UHFFFAOYSA-N 1 2 323.312 2.106 10 5 DEBELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092098551 402001183 /nfs/dbraw/zinc/00/11/83/402001183.db2.gz NXVWFIZSDRGNCF-CQSZACIVSA-N 1 2 305.378 2.429 10 5 DEBELO CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092098551 402001186 /nfs/dbraw/zinc/00/11/86/402001186.db2.gz NXVWFIZSDRGNCF-CQSZACIVSA-N 1 2 305.378 2.429 10 5 DEBELO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179455277 279132477 /nfs/dbraw/zinc/13/24/77/279132477.db2.gz ACUIUVJVIXMXGI-LLVKDONJSA-N 1 2 309.366 2.007 10 5 DEBELO C[N@@H+]1CCO[C@@H](CNc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000091673910 193088892 /nfs/dbraw/zinc/08/88/92/193088892.db2.gz SPNDZVYRHPIIJI-QMMMGPOBSA-N 1 2 303.721 2.130 10 5 DEBELO C[N@H+]1CCO[C@@H](CNc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000091673910 193088893 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Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CCS(C)(=O)=O)C(C)C ZINC000183373045 402761077 /nfs/dbraw/zinc/76/10/77/402761077.db2.gz MHUVBNANPDBWGU-UHFFFAOYSA-N 1 2 314.407 2.158 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCS(C)(=O)=O)C(C)C ZINC000183373045 402761080 /nfs/dbraw/zinc/76/10/80/402761080.db2.gz MHUVBNANPDBWGU-UHFFFAOYSA-N 1 2 314.407 2.158 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000183391892 402762811 /nfs/dbraw/zinc/76/28/11/402762811.db2.gz YFOVCBRHJJCBLT-HOTGVXAUSA-N 1 2 306.362 2.283 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000183391892 402762813 /nfs/dbraw/zinc/76/28/13/402762813.db2.gz YFOVCBRHJJCBLT-HOTGVXAUSA-N 1 2 306.362 2.283 10 5 DEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCn2c[nH+]cc2C1 ZINC000292178410 403313026 /nfs/dbraw/zinc/31/30/26/403313026.db2.gz XYJKKOCPTMOZGA-XYOKQWHBSA-N 1 2 312.329 2.237 10 5 DEBELO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000337550771 404093073 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2.168 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248693441 145164539 /nfs/dbraw/zinc/16/45/39/145164539.db2.gz YFOVCBRHJJCBLT-HZPDHXFCSA-N 1 2 306.362 2.283 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000248693441 145164540 /nfs/dbraw/zinc/16/45/40/145164540.db2.gz YFOVCBRHJJCBLT-HZPDHXFCSA-N 1 2 306.362 2.283 10 5 DEBELO COCCN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000183332671 402757800 /nfs/dbraw/zinc/75/78/00/402757800.db2.gz YMKPAEACQAINDG-CQSZACIVSA-N 1 2 307.394 2.056 10 5 DEBELO COCCN1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000183332671 402757801 /nfs/dbraw/zinc/75/78/01/402757801.db2.gz YMKPAEACQAINDG-CQSZACIVSA-N 1 2 307.394 2.056 10 5 DEBELO C[C@@H]1CCOCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000367654801 405115342 /nfs/dbraw/zinc/11/53/42/405115342.db2.gz BXCNKJWQWFBXBL-LLVKDONJSA-N 1 2 308.334 2.072 10 5 DEBELO C[C@@H]1CCOCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000367654801 405115343 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COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000245538996 402468934 /nfs/dbraw/zinc/46/89/34/402468934.db2.gz ZMSSIFRCZNTXBB-LALPHHSUSA-N 1 2 322.361 2.227 10 5 DEBELO COC(=O)[C@H]1C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H](C)O1 ZINC000245538996 402468937 /nfs/dbraw/zinc/46/89/37/402468937.db2.gz ZMSSIFRCZNTXBB-LALPHHSUSA-N 1 2 322.361 2.227 10 5 DEBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000246934715 402550098 /nfs/dbraw/zinc/55/00/98/402550098.db2.gz SBZUPQSLATZNRV-VNQPRFMTSA-N 1 2 306.362 2.363 10 5 DEBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000246934715 402550102 /nfs/dbraw/zinc/55/01/02/402550102.db2.gz SBZUPQSLATZNRV-VNQPRFMTSA-N 1 2 306.362 2.363 10 5 DEBELO Cc1ccc([C@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1[N+](=O)[O-] ZINC000191609313 402681331 /nfs/dbraw/zinc/68/13/31/402681331.db2.gz ZHWOGLXJMYPWDV-JTQLQIEISA-N 1 2 305.338 2.203 10 5 DEBELO CCN(c1cc[nH+]cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 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359405365 /nfs/dbraw/zinc/40/53/65/359405365.db2.gz XCNIKKLXMDCXIG-GFCCVEGCSA-N 1 2 300.318 2.176 10 5 DEBELO COc1ccccc1Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040648465 183114204 /nfs/dbraw/zinc/11/42/04/183114204.db2.gz KURONBJWTSJLQP-UHFFFAOYSA-N 1 2 312.289 2.323 10 5 DEBELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000044895252 183451355 /nfs/dbraw/zinc/45/13/55/183451355.db2.gz LVMJJCPKIPBVAJ-UHFFFAOYSA-N 1 2 323.312 2.106 10 5 DEBELO Cc1cnn(C[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000105891518 194159177 /nfs/dbraw/zinc/15/91/77/194159177.db2.gz NZTONMFNDMVWIX-MRXNPFEDSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCO2)c1 ZINC000105891518 194159179 /nfs/dbraw/zinc/15/91/79/194159179.db2.gz NZTONMFNDMVWIX-MRXNPFEDSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1cc(NN)[nH+]c(COc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000122014026 195390912 /nfs/dbraw/zinc/39/09/12/195390912.db2.gz KRGQWFNLTYCEIB-UHFFFAOYSA-N 1 2 309.713 2.211 10 5 DEBELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000247150031 145127439 /nfs/dbraw/zinc/12/74/39/145127439.db2.gz XJHFUYYKFLSGMD-OWCLPIDISA-N 1 2 306.362 2.363 10 5 DEBELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)[C@H]2C1 ZINC000247150031 145127442 /nfs/dbraw/zinc/12/74/42/145127442.db2.gz XJHFUYYKFLSGMD-OWCLPIDISA-N 1 2 306.362 2.363 10 5 DEBELO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177809909 402438424 /nfs/dbraw/zinc/43/84/24/402438424.db2.gz VKRCFRHXZNZLBM-CQSZACIVSA-N 1 2 300.318 2.096 10 5 DEBELO CC[C@@H]([NH2+]Cc1nc(CCOC)no1)c1cccc([N+](=O)[O-])c1 ZINC000181538258 402648930 /nfs/dbraw/zinc/64/89/30/402648930.db2.gz FKWRJXZUAZVSTN-CYBMUJFWSA-N 1 2 320.349 2.408 10 5 DEBELO O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000267443772 403039175 /nfs/dbraw/zinc/03/91/75/403039175.db2.gz ZGSXVPPEPYANQY-GFCCVEGCSA-N 1 2 317.305 2.369 10 5 DEBELO Cc1cnn([C@H]2CCC[N@H+](Cn3nc(C)c([N+](=O)[O-])c3C)C2)c1 ZINC000152959944 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CCOC(=O)[C@@H](CCOc1ccc([N+](=O)[O-])cc1Cl)[NH2+]C ZINC000062539693 184241707 /nfs/dbraw/zinc/24/17/07/184241707.db2.gz MEZCRNAQVBDKCA-LLVKDONJSA-N 1 2 316.741 2.168 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000248646520 145162667 /nfs/dbraw/zinc/16/26/67/145162667.db2.gz SQHHDOWCNIANMV-LSDHHAIUSA-N 1 2 303.362 2.146 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000248646520 145162668 /nfs/dbraw/zinc/16/26/68/145162668.db2.gz SQHHDOWCNIANMV-LSDHHAIUSA-N 1 2 303.362 2.146 10 5 DEBELO O=[N+]([O-])c1cc(CN2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000153129396 402128480 /nfs/dbraw/zinc/12/84/80/402128480.db2.gz LWWLYDQAHHUSEX-UHFFFAOYSA-N 1 2 318.402 2.369 10 5 DEBELO NC(=O)c1coc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000189398913 402536062 /nfs/dbraw/zinc/53/60/62/402536062.db2.gz RUGPCNNAZHDZPX-UHFFFAOYSA-N 1 2 309.709 2.230 10 5 DEBELO CCn1cc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)cn1 ZINC000191704346 402687286 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10 5 DEBELO C[N@@H+]1CCO[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234326433 624203422 /nfs/dbraw/zinc/20/34/22/624203422.db2.gz VHNJDRVTUROXFW-MRVPVSSYSA-N 1 2 303.721 2.130 10 5 DEBELO C[N@H+]1CCO[C@H](CNc2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000234326433 624203423 /nfs/dbraw/zinc/20/34/23/624203423.db2.gz VHNJDRVTUROXFW-MRVPVSSYSA-N 1 2 303.721 2.130 10 5 DEBELO O=C(NCCCc1[nH]cc[nH+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000141263148 186029300 /nfs/dbraw/zinc/02/93/00/186029300.db2.gz UOJQNJIZSGIETJ-UHFFFAOYSA-N 1 2 308.725 2.334 10 5 DEBELO CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172395038 198090143 /nfs/dbraw/zinc/09/01/43/198090143.db2.gz JQKJCRDAIMXDRO-LLVKDONJSA-N 1 2 300.380 2.022 10 5 DEBELO CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172395038 198090145 /nfs/dbraw/zinc/09/01/45/198090145.db2.gz JQKJCRDAIMXDRO-LLVKDONJSA-N 1 2 300.380 2.022 10 5 DEBELO COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000174736750 198378221 /nfs/dbraw/zinc/37/82/21/198378221.db2.gz QLMSKCKXDQPKOK-SNVBAGLBSA-N 1 2 316.404 2.137 10 5 DEBELO COC(=O)C[C@@H]1CSCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000174736750 198378222 /nfs/dbraw/zinc/37/82/22/198378222.db2.gz QLMSKCKXDQPKOK-SNVBAGLBSA-N 1 2 316.404 2.137 10 5 DEBELO CC[C@@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619434176 363793196 /nfs/dbraw/zinc/79/31/96/363793196.db2.gz LCNWVVVLHZEBPG-GDBMZVCRSA-N 1 2 322.361 2.070 10 5 DEBELO CC[C@@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619434176 363793203 /nfs/dbraw/zinc/79/32/03/363793203.db2.gz LCNWVVVLHZEBPG-GDBMZVCRSA-N 1 2 322.361 2.070 10 5 DEBELO COC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000079927932 401884342 /nfs/dbraw/zinc/88/43/42/401884342.db2.gz RVQUIAPXGLEADS-ZDUSSCGKSA-N 1 2 308.334 2.001 10 5 DEBELO COC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000079927932 401884346 /nfs/dbraw/zinc/88/43/46/401884346.db2.gz RVQUIAPXGLEADS-ZDUSSCGKSA-N 1 2 308.334 2.001 10 5 DEBELO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000124313765 402174457 /nfs/dbraw/zinc/17/44/57/402174457.db2.gz YGAFKWGXNLWUJG-UHFFFAOYSA-N 1 2 321.377 2.151 10 5 DEBELO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2c(s1)CCCC2 ZINC000176288838 402297068 /nfs/dbraw/zinc/29/70/68/402297068.db2.gz HBNVXLYAFZTLNG-UHFFFAOYSA-N 1 2 321.406 2.259 10 5 DEBELO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2c(s1)CCCC2 ZINC000176288838 402297071 /nfs/dbraw/zinc/29/70/71/402297071.db2.gz HBNVXLYAFZTLNG-UHFFFAOYSA-N 1 2 321.406 2.259 10 5 DEBELO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754815 402432584 /nfs/dbraw/zinc/43/25/84/402432584.db2.gz YOJLGLONHBKFNP-CQSZACIVSA-N 1 2 314.345 2.405 10 5 DEBELO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cs1 ZINC000246595666 402538119 /nfs/dbraw/zinc/53/81/19/402538119.db2.gz CWMGPYFCKSOJAM-MNOVXSKESA-N 1 2 300.405 2.363 10 5 DEBELO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)cs1 ZINC000246595666 402538121 /nfs/dbraw/zinc/53/81/21/402538121.db2.gz CWMGPYFCKSOJAM-MNOVXSKESA-N 1 2 300.405 2.363 10 5 DEBELO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248479108 402592351 /nfs/dbraw/zinc/59/23/51/402592351.db2.gz QCJWQPDELHRDGP-FZMZJTMJSA-N 1 2 321.377 2.103 10 5 DEBELO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248479108 402592352 /nfs/dbraw/zinc/59/23/52/402592352.db2.gz QCJWQPDELHRDGP-FZMZJTMJSA-N 1 2 321.377 2.103 10 5 DEBELO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801563682 645415709 /nfs/dbraw/zinc/41/57/09/645415709.db2.gz GSDRRKDIAIHOAX-ZDUSSCGKSA-N 1 2 316.304 2.330 10 5 DEBELO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H](C(F)F)C2)cc1 ZINC000801563682 645415711 /nfs/dbraw/zinc/41/57/11/645415711.db2.gz GSDRRKDIAIHOAX-ZDUSSCGKSA-N 1 2 316.304 2.330 10 5 DEBELO CCn1cc[nH+]c1Cn1c(C)nc([N+](=O)[O-])c1Br ZINC000171414211 646700587 /nfs/dbraw/zinc/70/05/87/646700587.db2.gz XPBRNQZPQFTTOD-UHFFFAOYSA-N 1 2 314.143 2.127 10 5 DEBELO CC[NH2+][C@H](CCOc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)OC ZINC000062595631 184244255 /nfs/dbraw/zinc/24/42/55/184244255.db2.gz JEQSTLCYMCYROD-LLVKDONJSA-N 1 2 316.741 2.168 10 5 DEBELO CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183348770 402758523 /nfs/dbraw/zinc/75/85/23/402758523.db2.gz BHHSTZYAOLRQIY-LBPRGKRZSA-N 1 2 314.407 2.158 10 5 DEBELO CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183348770 402758527 /nfs/dbraw/zinc/75/85/27/402758527.db2.gz BHHSTZYAOLRQIY-LBPRGKRZSA-N 1 2 314.407 2.158 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000183382222 402762192 /nfs/dbraw/zinc/76/21/92/402762192.db2.gz CWNUTXIXJWRTEU-CQSZACIVSA-N 1 2 301.350 2.369 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000183382222 402762195 /nfs/dbraw/zinc/76/21/95/402762195.db2.gz CWNUTXIXJWRTEU-CQSZACIVSA-N 1 2 301.350 2.369 10 5 DEBELO CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448731857 405442500 /nfs/dbraw/zinc/44/25/00/405442500.db2.gz AADHQOPYDJQBJC-UHFFFAOYSA-N 1 2 300.318 2.263 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193402590 225161178 /nfs/dbraw/zinc/16/11/78/225161178.db2.gz HKLLBZKETXXNGL-GASCZTMLSA-N 1 2 321.421 2.444 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193402590 225161183 /nfs/dbraw/zinc/16/11/83/225161183.db2.gz HKLLBZKETXXNGL-GASCZTMLSA-N 1 2 321.421 2.444 10 5 DEBELO CSc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000195131921 424880185 /nfs/dbraw/zinc/88/01/85/424880185.db2.gz VNSHFEDDYJYAOQ-UHFFFAOYSA-N 1 2 321.402 2.237 10 5 DEBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171619312 646707549 /nfs/dbraw/zinc/70/75/49/646707549.db2.gz XLQJGGNVKLZKOL-ZDUSSCGKSA-N 1 2 305.313 2.163 10 5 DEBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000171619312 646707551 /nfs/dbraw/zinc/70/75/51/646707551.db2.gz XLQJGGNVKLZKOL-ZDUSSCGKSA-N 1 2 305.313 2.163 10 5 DEBELO Cc1nc(N2CCN(c3sccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000612663966 361885518 /nfs/dbraw/zinc/88/55/18/361885518.db2.gz PHCORQKOBLGWOG-UHFFFAOYSA-N 1 2 305.363 2.081 10 5 DEBELO Cc1nc(N2CCN(c3ccsc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000612664284 361885533 /nfs/dbraw/zinc/88/55/33/361885533.db2.gz DDRYGKNGCSRXKR-UHFFFAOYSA-N 1 2 305.363 2.081 10 5 DEBELO CC(=O)N1CC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599084963 359398900 /nfs/dbraw/zinc/39/89/00/359398900.db2.gz GYSPEJOETDUXAS-LBPRGKRZSA-N 1 2 314.345 2.423 10 5 DEBELO O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000610032904 361354690 /nfs/dbraw/zinc/35/46/90/361354690.db2.gz UIQMHFSNJIAFFH-UHFFFAOYSA-N 1 2 318.314 2.043 10 5 DEBELO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000619434178 363793100 /nfs/dbraw/zinc/79/31/00/363793100.db2.gz LCNWVVVLHZEBPG-HOCLYGCPSA-N 1 2 322.361 2.070 10 5 DEBELO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000619434178 363793105 /nfs/dbraw/zinc/79/31/05/363793105.db2.gz LCNWVVVLHZEBPG-HOCLYGCPSA-N 1 2 322.361 2.070 10 5 DEBELO CO[C@@H]1C[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000189288273 145024997 /nfs/dbraw/zinc/02/49/97/145024997.db2.gz HSOBZQMYWCVVQL-IUODEOHRSA-N 1 2 321.377 2.199 10 5 DEBELO CO[C@@H]1C[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000189288273 145024999 /nfs/dbraw/zinc/02/49/99/145024999.db2.gz HSOBZQMYWCVVQL-IUODEOHRSA-N 1 2 321.377 2.199 10 5 DEBELO O=[N+]([O-])c1cnc(N2CCCN(c3cccc[nH+]3)CC2)s1 ZINC000192530552 145074899 /nfs/dbraw/zinc/07/48/99/145074899.db2.gz OKGZGMMGWXBBHX-UHFFFAOYSA-N 1 2 305.363 2.163 10 5 DEBELO Cc1ccc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122203594 402066489 /nfs/dbraw/zinc/06/64/89/402066489.db2.gz UYSJPKRRBUUMJP-OAHLLOKOSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1ccc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122203594 402066492 /nfs/dbraw/zinc/06/64/92/402066492.db2.gz UYSJPKRRBUUMJP-OAHLLOKOSA-N 1 2 316.361 2.001 10 5 DEBELO CC[C@H](NC(=O)Cc1c[nH+]cn1C)c1cccc([N+](=O)[O-])c1 ZINC000187169244 402486454 /nfs/dbraw/zinc/48/64/54/402486454.db2.gz AUZROEDAVZWETD-AWEZNQCLSA-N 1 2 302.334 2.138 10 5 DEBELO C[C@H]1CCN(c2cc(CO)ccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000302068601 230076816 /nfs/dbraw/zinc/07/68/16/230076816.db2.gz VAGINPQEEJHXPS-BLLLJJGKSA-N 1 2 316.361 2.371 10 5 DEBELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000158319100 277295922 /nfs/dbraw/zinc/29/59/22/277295922.db2.gz SBZUPQSLATZNRV-BMFZPTHFSA-N 1 2 306.362 2.363 10 5 DEBELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000158319100 277295923 /nfs/dbraw/zinc/29/59/23/277295923.db2.gz SBZUPQSLATZNRV-BMFZPTHFSA-N 1 2 306.362 2.363 10 5 DEBELO CCc1nc(C(C)(C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)no1 ZINC000441237829 529714140 /nfs/dbraw/zinc/71/41/40/529714140.db2.gz XQIWUILCOZRMOR-UHFFFAOYSA-N 1 2 320.349 2.444 10 5 DEBELO CCOC(=O)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000039047313 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Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000302803206 403728236 /nfs/dbraw/zinc/72/82/36/403728236.db2.gz DJSBREBHIIDOKG-LLVKDONJSA-N 1 2 313.785 2.059 10 5 DEBELO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000302803206 403728241 /nfs/dbraw/zinc/72/82/41/403728241.db2.gz DJSBREBHIIDOKG-LLVKDONJSA-N 1 2 313.785 2.059 10 5 DEBELO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408008663 405089231 /nfs/dbraw/zinc/08/92/31/405089231.db2.gz FWBMDBCPNXKQRI-BBRMVZONSA-N 1 2 306.362 2.427 10 5 DEBELO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000408008663 405089237 /nfs/dbraw/zinc/08/92/37/405089237.db2.gz FWBMDBCPNXKQRI-BBRMVZONSA-N 1 2 306.362 2.427 10 5 DEBELO CN1c2ccccc2[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1=N ZINC000368022360 405217916 /nfs/dbraw/zinc/21/79/16/405217916.db2.gz FGZDMKRIESNQHV-UHFFFAOYSA-N 1 2 310.313 2.250 10 5 DEBELO CN1c2ccccc2[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1=N ZINC000368022360 405217919 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O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000134699254 401911996 /nfs/dbraw/zinc/91/19/96/401911996.db2.gz OAPQRBVBEMPRKF-UHFFFAOYSA-N 1 2 309.753 2.168 10 5 DEBELO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000121783893 402052081 /nfs/dbraw/zinc/05/20/81/402052081.db2.gz AFRYILNSBQPLGY-LBPRGKRZSA-N 1 2 304.268 2.482 10 5 DEBELO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)C(F)(F)F)C1CC1 ZINC000121783893 402052085 /nfs/dbraw/zinc/05/20/85/402052085.db2.gz AFRYILNSBQPLGY-LBPRGKRZSA-N 1 2 304.268 2.482 10 5 DEBELO COC(=O)[C@@]1(C)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000186383466 402427007 /nfs/dbraw/zinc/42/70/07/402427007.db2.gz CKKQOGYBBHSIFD-OAHLLOKOSA-N 1 2 308.334 2.001 10 5 DEBELO COC(=O)[C@@]1(C)CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000186383466 402427008 /nfs/dbraw/zinc/42/70/08/402427008.db2.gz CKKQOGYBBHSIFD-OAHLLOKOSA-N 1 2 308.334 2.001 10 5 DEBELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185953414 402392387 /nfs/dbraw/zinc/39/23/87/402392387.db2.gz APOOSTDAXHXQAG-CQSZACIVSA-N 1 2 311.769 2.478 10 5 DEBELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185953414 402392388 /nfs/dbraw/zinc/39/23/88/402392388.db2.gz APOOSTDAXHXQAG-CQSZACIVSA-N 1 2 311.769 2.478 10 5 DEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000577609404 405478334 /nfs/dbraw/zinc/47/83/34/405478334.db2.gz RUYVTLJLNGVFIX-YVLXSGLVSA-N 1 2 320.345 2.074 10 5 DEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000577609404 405478340 /nfs/dbraw/zinc/47/83/40/405478340.db2.gz RUYVTLJLNGVFIX-YVLXSGLVSA-N 1 2 320.345 2.074 10 5 DEBELO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179455266 278974234 /nfs/dbraw/zinc/97/42/34/278974234.db2.gz ACUIUVJVIXMXGI-NSHDSACASA-N 1 2 309.366 2.007 10 5 DEBELO O=[N+]([O-])c1ccc(OCC[NH+]2CCOCC2)c2ccccc21 ZINC000095829862 185384057 /nfs/dbraw/zinc/38/40/57/185384057.db2.gz SLDQQCNHUZDIKB-UHFFFAOYSA-N 1 2 302.330 2.459 10 5 DEBELO CC[C@H](NC(=O)c1ccnc(Cl)c1[N+](=O)[O-])c1[nH]cc[nH+]1 ZINC000139422199 186022343 /nfs/dbraw/zinc/02/23/43/186022343.db2.gz ZOZZOSVYCVNRAV-QMMMGPOBSA-N 1 2 309.713 2.247 10 5 DEBELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174390 198052994 /nfs/dbraw/zinc/05/29/94/198052994.db2.gz NOOZQFWSHZAYDP-CYBMUJFWSA-N 1 2 311.769 2.301 10 5 DEBELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174390 198052995 /nfs/dbraw/zinc/05/29/95/198052995.db2.gz NOOZQFWSHZAYDP-CYBMUJFWSA-N 1 2 311.769 2.301 10 5 DEBELO O=C(NCCCn1cc[nH+]c1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000120300489 195139176 /nfs/dbraw/zinc/13/91/76/195139176.db2.gz LEZXGSCEIMWRGT-UHFFFAOYSA-N 1 2 313.317 2.093 10 5 DEBELO C[C@@H]1CCOCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000362241234 133219510 /nfs/dbraw/zinc/21/95/10/133219510.db2.gz XGAMURPPDLGFIB-LLVKDONJSA-N 1 2 318.333 2.256 10 5 DEBELO C[C@@H]1CCOCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000362241234 133219511 /nfs/dbraw/zinc/21/95/11/133219511.db2.gz XGAMURPPDLGFIB-LLVKDONJSA-N 1 2 318.333 2.256 10 5 DEBELO Cc1ccc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122203329 402066544 /nfs/dbraw/zinc/06/65/44/402066544.db2.gz UYSJPKRRBUUMJP-HNNXBMFYSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1ccc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)cc1[N+](=O)[O-] ZINC000122203329 402066545 /nfs/dbraw/zinc/06/65/45/402066545.db2.gz UYSJPKRRBUUMJP-HNNXBMFYSA-N 1 2 316.361 2.001 10 5 DEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000248773828 402608339 /nfs/dbraw/zinc/60/83/39/402608339.db2.gz AVHOMDAXNQJNLP-WHOFXGATSA-N 1 2 304.346 2.368 10 5 DEBELO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000248773828 402608340 /nfs/dbraw/zinc/60/83/40/402608340.db2.gz AVHOMDAXNQJNLP-WHOFXGATSA-N 1 2 304.346 2.368 10 5 DEBELO CC(C)Cn1cc[nH+]c1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173908159 402718829 /nfs/dbraw/zinc/71/88/29/402718829.db2.gz ICIUHJLWAPGODQ-UHFFFAOYSA-N 1 2 316.361 2.306 10 5 DEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000175101896 402779799 /nfs/dbraw/zinc/77/97/99/402779799.db2.gz GSQWESRCDPIDKY-CQSZACIVSA-N 1 2 321.377 2.094 10 5 DEBELO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000175101896 402779801 /nfs/dbraw/zinc/77/98/01/402779801.db2.gz GSQWESRCDPIDKY-CQSZACIVSA-N 1 2 321.377 2.094 10 5 DEBELO Cc1ccc(CCNc2ccc([N+](=O)[O-])cc2C(N)=O)c[nH+]1 ZINC000301600887 403652270 /nfs/dbraw/zinc/65/22/70/403652270.db2.gz ZGNREWPLDSDCOJ-UHFFFAOYSA-N 1 2 300.318 2.052 10 5 DEBELO C[C@@H]1CCOCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000378511078 274310350 /nfs/dbraw/zinc/31/03/50/274310350.db2.gz XLUGDPNSALEOMM-LLVKDONJSA-N 1 2 318.333 2.256 10 5 DEBELO C[C@@H]1CCOCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000378511078 274310353 /nfs/dbraw/zinc/31/03/53/274310353.db2.gz XLUGDPNSALEOMM-LLVKDONJSA-N 1 2 318.333 2.256 10 5 DEBELO CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174822247 647665954 /nfs/dbraw/zinc/66/59/54/647665954.db2.gz HLBKIFOXBGFGRN-CYBMUJFWSA-N 1 2 311.769 2.349 10 5 DEBELO CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174822247 647665955 /nfs/dbraw/zinc/66/59/55/647665955.db2.gz HLBKIFOXBGFGRN-CYBMUJFWSA-N 1 2 311.769 2.349 10 5 DEBELO CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172395032 198090019 /nfs/dbraw/zinc/09/00/19/198090019.db2.gz JQKJCRDAIMXDRO-NSHDSACASA-N 1 2 300.380 2.022 10 5 DEBELO CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000172395032 198090020 /nfs/dbraw/zinc/09/00/20/198090020.db2.gz JQKJCRDAIMXDRO-NSHDSACASA-N 1 2 300.380 2.022 10 5 DEBELO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000174838550 198391615 /nfs/dbraw/zinc/39/16/15/198391615.db2.gz AXXACYBKFGYTPR-GFCCVEGCSA-N 1 2 307.379 2.475 10 5 DEBELO O=[N+]([O-])c1cnn(CC[N@H+]2CCCC[C@@H]2c2nccs2)c1 ZINC000174838550 198391617 /nfs/dbraw/zinc/39/16/17/198391617.db2.gz AXXACYBKFGYTPR-GFCCVEGCSA-N 1 2 307.379 2.475 10 5 DEBELO CCCN1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000189201076 200363121 /nfs/dbraw/zinc/36/31/21/200363121.db2.gz SUKSLLWLWOWKIC-UHFFFAOYSA-N 1 2 305.378 2.348 10 5 DEBELO CCCN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000189201076 200363122 /nfs/dbraw/zinc/36/31/22/200363122.db2.gz SUKSLLWLWOWKIC-UHFFFAOYSA-N 1 2 305.378 2.348 10 5 DEBELO Cc1cc(C)c([N+](=O)[O-])c(NCC(C)(C)[NH+]2CCOCC2)n1 ZINC000611615504 361644160 /nfs/dbraw/zinc/64/41/60/361644160.db2.gz LRQLNYAWDDJKRP-UHFFFAOYSA-N 1 2 308.382 2.129 10 5 DEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOCC2(CC2)C1 ZINC000611813242 361688652 /nfs/dbraw/zinc/68/86/52/361688652.db2.gz PJTLLSPGGOHNHZ-LBPRGKRZSA-N 1 2 319.361 2.034 10 5 DEBELO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOCC2(CC2)C1 ZINC000611813242 361688655 /nfs/dbraw/zinc/68/86/55/361688655.db2.gz PJTLLSPGGOHNHZ-LBPRGKRZSA-N 1 2 319.361 2.034 10 5 DEBELO Cc1cc[nH+]cc1N1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000619589511 363835487 /nfs/dbraw/zinc/83/54/87/363835487.db2.gz KIOHLGREKOJMKX-UHFFFAOYSA-N 1 2 313.361 2.328 10 5 DEBELO CCOC(=O)[C@@H](CCOc1cc(Cl)ccc1[N+](=O)[O-])[NH2+]C ZINC000062595819 184244347 /nfs/dbraw/zinc/24/43/47/184244347.db2.gz YHKHPSZWECMSTD-SNVBAGLBSA-N 1 2 316.741 2.168 10 5 DEBELO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000263081319 145323345 /nfs/dbraw/zinc/32/33/45/145323345.db2.gz XOTXEWIKAAJRCQ-ONGXEEELSA-N 1 2 313.304 2.078 10 5 DEBELO CC(C)(C)NC(=O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228533 401931312 /nfs/dbraw/zinc/93/13/12/401931312.db2.gz KXCZYMMZWYVHQP-UHFFFAOYSA-N 1 2 305.378 2.474 10 5 DEBELO CC(C)(C)NC(=O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135228533 401931313 /nfs/dbraw/zinc/93/13/13/401931313.db2.gz KXCZYMMZWYVHQP-UHFFFAOYSA-N 1 2 305.378 2.474 10 5 DEBELO CCOC(=O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000154474830 402214717 /nfs/dbraw/zinc/21/47/17/402214717.db2.gz XFCUALXLWIMLSX-CQSZACIVSA-N 1 2 324.377 2.292 10 5 DEBELO CCOC(=O)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000154474830 402214719 /nfs/dbraw/zinc/21/47/19/402214719.db2.gz XFCUALXLWIMLSX-CQSZACIVSA-N 1 2 324.377 2.292 10 5 DEBELO Cc1nn(C)c(N2CCc3c([nH+]c(C(C)C)n3C)C2)c1[N+](=O)[O-] ZINC000108952492 402265565 /nfs/dbraw/zinc/26/55/65/402265565.db2.gz SLGZOOCATGNJBA-UHFFFAOYSA-N 1 2 318.381 2.056 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178356229 402488639 /nfs/dbraw/zinc/48/86/39/402488639.db2.gz VDCWFKLQLYWDLI-UHFFFAOYSA-N 1 2 310.313 2.481 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000183309476 402754923 /nfs/dbraw/zinc/75/49/23/402754923.db2.gz SQHHDOWCNIANMV-GJZGRUSLSA-N 1 2 303.362 2.146 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000183309476 402754925 /nfs/dbraw/zinc/75/49/25/402754925.db2.gz SQHHDOWCNIANMV-GJZGRUSLSA-N 1 2 303.362 2.146 10 5 DEBELO CC(C)OC[C@H](O)Cn1cc[nH+]c1-c1ccc([N+](=O)[O-])cc1 ZINC000193692448 402775439 /nfs/dbraw/zinc/77/54/39/402775439.db2.gz VXJPIDFEWJRCEN-CQSZACIVSA-N 1 2 305.334 2.244 10 5 DEBELO C[C@H]1CCOCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000367741940 405141672 /nfs/dbraw/zinc/14/16/72/405141672.db2.gz WQENVVHSQYHBGG-NSHDSACASA-N 1 2 318.333 2.256 10 5 DEBELO C[C@H]1CCOCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000367741940 405141676 /nfs/dbraw/zinc/14/16/76/405141676.db2.gz WQENVVHSQYHBGG-NSHDSACASA-N 1 2 318.333 2.256 10 5 DEBELO C[C@H]1C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448699790 405438445 /nfs/dbraw/zinc/43/84/45/405438445.db2.gz NHVOSKRGQJVVBF-CMPLNLGQSA-N 1 2 300.318 2.166 10 5 DEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000248773822 536552470 /nfs/dbraw/zinc/55/24/70/536552470.db2.gz AVHOMDAXNQJNLP-LNSITVRQSA-N 1 2 304.346 2.368 10 5 DEBELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000248773822 536552475 /nfs/dbraw/zinc/55/24/75/536552475.db2.gz AVHOMDAXNQJNLP-LNSITVRQSA-N 1 2 304.346 2.368 10 5 DEBELO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1[nH]cc[nH+]1 ZINC000588445680 777201522 /nfs/dbraw/zinc/20/15/22/777201522.db2.gz JGEZMUOIHVLDKE-ZHACJKMWSA-N 1 2 300.318 2.080 10 5 DEBELO Cc1cc(C(=O)NCc2ccc[nH+]c2N(C)C)cc([N+](=O)[O-])c1 ZINC000150301685 186056790 /nfs/dbraw/zinc/05/67/90/186056790.db2.gz UJFRYYISVHKRPQ-UHFFFAOYSA-N 1 2 314.345 2.294 10 5 DEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CC2)C1 ZINC000611813097 361688483 /nfs/dbraw/zinc/68/84/83/361688483.db2.gz CBGAHJGMBHCDQF-LBPRGKRZSA-N 1 2 319.361 2.034 10 5 DEBELO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CC2)C1 ZINC000611813097 361688489 /nfs/dbraw/zinc/68/84/89/361688489.db2.gz CBGAHJGMBHCDQF-LBPRGKRZSA-N 1 2 319.361 2.034 10 5 DEBELO Cc1cc([N+](=O)[O-])c(Cl)cc1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000157695008 197208979 /nfs/dbraw/zinc/20/89/79/197208979.db2.gz TXJNPORIZZMFNO-NSHDSACASA-N 1 2 312.801 2.214 10 5 DEBELO Cc1cc([N+](=O)[O-])c(Cl)cc1NC[C@H]1CN(C)CC[N@H+]1C ZINC000157695008 197208980 /nfs/dbraw/zinc/20/89/80/197208980.db2.gz TXJNPORIZZMFNO-NSHDSACASA-N 1 2 312.801 2.214 10 5 DEBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262533384 145290714 /nfs/dbraw/zinc/29/07/14/145290714.db2.gz PYQPNSLDHOVVOZ-XWIASGKRSA-N 1 2 305.334 2.160 10 5 DEBELO O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@H]2c2nccs2)n1 ZINC000176222852 402291748 /nfs/dbraw/zinc/29/17/48/402291748.db2.gz ZJYRNQMATRZDSV-NSHDSACASA-N 1 2 307.379 2.475 10 5 DEBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@H]2c2nccs2)n1 ZINC000176222852 402291751 /nfs/dbraw/zinc/29/17/51/402291751.db2.gz ZJYRNQMATRZDSV-NSHDSACASA-N 1 2 307.379 2.475 10 5 DEBELO CC[C@H]([NH2+]Cc1nc(N(C)C)no1)c1cccc([N+](=O)[O-])c1 ZINC000192785943 402749857 /nfs/dbraw/zinc/74/98/57/402749857.db2.gz QGIAHNYQFBWTJC-LBPRGKRZSA-N 1 2 305.338 2.285 10 5 DEBELO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2c(s1)CCCC2 ZINC000175536092 402815281 /nfs/dbraw/zinc/81/52/81/402815281.db2.gz VODFACFVMIQYLX-UHFFFAOYSA-N 1 2 321.406 2.259 10 5 DEBELO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2c(s1)CCCC2 ZINC000175536092 402815284 /nfs/dbraw/zinc/81/52/84/402815284.db2.gz VODFACFVMIQYLX-UHFFFAOYSA-N 1 2 321.406 2.259 10 5 DEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000577609402 405478665 /nfs/dbraw/zinc/47/86/65/405478665.db2.gz RUYVTLJLNGVFIX-DGFSRKRXSA-N 1 2 320.345 2.074 10 5 DEBELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(O)ccc1[N+](=O)[O-] ZINC000577609402 405478671 /nfs/dbraw/zinc/47/86/71/405478671.db2.gz RUYVTLJLNGVFIX-DGFSRKRXSA-N 1 2 320.345 2.074 10 5 DEBELO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000171030704 302705093 /nfs/dbraw/zinc/70/50/93/302705093.db2.gz YVRPKEVFSORXTR-CYBMUJFWSA-N 1 2 315.333 2.389 10 5 DEBELO C[C@@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000141782372 186031123 /nfs/dbraw/zinc/03/11/23/186031123.db2.gz DRGFCTLQHNTLOS-ZCFIWIBFSA-N 1 2 309.713 2.045 10 5 DEBELO C[C@H](NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)c1[nH]cc[nH+]1 ZINC000141782164 186031138 /nfs/dbraw/zinc/03/11/38/186031138.db2.gz DRGFCTLQHNTLOS-LURJTMIESA-N 1 2 309.713 2.045 10 5 DEBELO Cc1cc(NCc2ccnc(-n3cc[nH+]c3)c2)ncc1[N+](=O)[O-] ZINC000080599897 355373587 /nfs/dbraw/zinc/37/35/87/355373587.db2.gz JYKKGJGTZNNMFC-UHFFFAOYSA-N 1 2 310.317 2.491 10 5 DEBELO O=[N+]([O-])c1c(-n2cc[nH+]c2)ncnc1N1CCc2ccccc21 ZINC000040586266 183106181 /nfs/dbraw/zinc/10/61/81/183106181.db2.gz BSIGYDZDBSNGON-UHFFFAOYSA-N 1 2 308.301 2.265 10 5 DEBELO Cc1ncc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)s1 ZINC000101557139 402148250 /nfs/dbraw/zinc/14/82/50/402148250.db2.gz MQFKJHGGFXEVLL-UHFFFAOYSA-N 1 2 319.390 2.077 10 5 DEBELO COC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000125540097 402237529 /nfs/dbraw/zinc/23/75/29/402237529.db2.gz GOXDPDNTKZAOGM-AWEZNQCLSA-N 1 2 308.334 2.001 10 5 DEBELO COC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000125540097 402237532 /nfs/dbraw/zinc/23/75/32/402237532.db2.gz GOXDPDNTKZAOGM-AWEZNQCLSA-N 1 2 308.334 2.001 10 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CC(C)(C)OC(=O)N(c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CC[NH2+]C1 ZINC000584654158 337377721 /nfs/dbraw/zinc/37/77/21/337377721.db2.gz QNMJEBJRDQCMNB-LLVKDONJSA-N 1 2 323.349 2.404 10 5 DEBELO C/C(=C/C(=O)OCCn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000752342611 639173789 /nfs/dbraw/zinc/17/37/89/639173789.db2.gz FKKNGWLGESPMSX-BENRWUELSA-N 1 2 301.302 2.438 10 5 DEBELO CC(=CC(=O)NCc1[nH]c[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC000752500876 639190599 /nfs/dbraw/zinc/19/05/99/639190599.db2.gz LIHWUUPQBCUSEN-JXMROGBWSA-N 1 2 300.318 2.346 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(N)=O)Cc1ccccc1 ZINC000183340787 356169027 /nfs/dbraw/zinc/16/90/27/356169027.db2.gz TYNZVOAGHDBPEA-UHFFFAOYSA-N 1 2 313.357 2.391 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000183340787 356169028 /nfs/dbraw/zinc/16/90/28/356169028.db2.gz TYNZVOAGHDBPEA-UHFFFAOYSA-N 1 2 313.357 2.391 10 5 DEBELO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H](C)C1 ZINC000248479109 285368863 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639166080 /nfs/dbraw/zinc/16/60/80/639166080.db2.gz GVXQKEOVZWCXNL-ZHACJKMWSA-N 1 2 300.318 2.080 10 5 DEBELO CCO[C@H]1C[C@H]([N@H+](C)Cn2nccc2[N+](=O)[O-])C12CCCC2 ZINC000156505674 646430007 /nfs/dbraw/zinc/43/00/07/646430007.db2.gz COOBRWJVOUQINJ-STQMWFEESA-N 1 2 308.382 2.418 10 5 DEBELO CCO[C@H]1C[C@H]([N@@H+](C)Cn2nccc2[N+](=O)[O-])C12CCCC2 ZINC000156505674 646430009 /nfs/dbraw/zinc/43/00/09/646430009.db2.gz COOBRWJVOUQINJ-STQMWFEESA-N 1 2 308.382 2.418 10 5 DEBELO Cc1cnn(C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105891552 194159222 /nfs/dbraw/zinc/15/92/22/194159222.db2.gz PCIBBKVNBJZPSB-INIZCTEOSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105891552 194159224 /nfs/dbraw/zinc/15/92/24/194159224.db2.gz PCIBBKVNBJZPSB-INIZCTEOSA-N 1 2 316.361 2.001 10 5 DEBELO O=[N+]([O-])c1ccc(-c2[nH+]ccn2C[C@H](O)C(F)(F)F)cc1 ZINC000158153565 197248850 /nfs/dbraw/zinc/24/88/50/197248850.db2.gz HCKSKBYDQUHJST-JTQLQIEISA-N 1 2 301.224 2.382 10 5 DEBELO Cc1cc(N2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000189018557 145021123 /nfs/dbraw/zinc/02/11/23/145021123.db2.gz SPWXTWVTGLNUNC-UHFFFAOYSA-N 1 2 315.377 2.257 10 5 DEBELO Cc1ccc([N+](=O)[O-])cc1C(C)[N@@H+]1CCOC2(CCOC2)C1 ZINC000249046017 292296680 /nfs/dbraw/zinc/29/66/80/292296680.db2.gz VVSYEKJCEIZHRF-BBRMVZONSA-N 1 2 306.362 2.456 10 5 DEBELO Cc1ccc([N+](=O)[O-])cc1C(C)[N@H+]1CCOC2(CCOC2)C1 ZINC000249046017 292296682 /nfs/dbraw/zinc/29/66/82/292296682.db2.gz VVSYEKJCEIZHRF-BBRMVZONSA-N 1 2 306.362 2.456 10 5 DEBELO CC[C@H]1C[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619434177 363792463 /nfs/dbraw/zinc/79/24/63/363792463.db2.gz LCNWVVVLHZEBPG-GOEBONIOSA-N 1 2 322.361 2.070 10 5 DEBELO CC[C@H]1C[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000619434177 363792468 /nfs/dbraw/zinc/79/24/68/363792468.db2.gz LCNWVVVLHZEBPG-GOEBONIOSA-N 1 2 322.361 2.070 10 5 DEBELO C[N@@H+]1CCO[C@H](CNc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000091673907 193089246 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/nfs/dbraw/zinc/13/91/90/199139190.db2.gz PMYBSTUWGKKJKP-GFCCVEGCSA-N 1 2 306.322 2.365 10 5 DEBELO Cn1cc(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nn1 ZINC000611930457 361706571 /nfs/dbraw/zinc/70/65/71/361706571.db2.gz HCSWRPITOHEYLX-UHFFFAOYSA-N 1 2 313.317 2.273 10 5 DEBELO O=[N+]([O-])c1c(NCCc2ccccc2)ncnc1-n1cc[nH+]c1 ZINC000040610361 183108776 /nfs/dbraw/zinc/10/87/76/183108776.db2.gz ADYXFYNGYCXTPC-UHFFFAOYSA-N 1 2 310.317 2.225 10 5 DEBELO CN(C)Nc1[nH+]cnc(Nc2cccnc2Cl)c1[N+](=O)[O-] ZINC000040629033 183110561 /nfs/dbraw/zinc/11/05/61/183110561.db2.gz BWTKHDXWVDXXTM-UHFFFAOYSA-N 1 2 309.717 2.065 10 5 DEBELO O=c1c2ccccc2c2ccccc2c(=O)n1CCn1cc[nH+]c1 ZINC000058826060 184129571 /nfs/dbraw/zinc/12/95/71/184129571.db2.gz JHKAPSWTXZPFDQ-UHFFFAOYSA-N 1 2 317.348 2.412 10 5 DEBELO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000133284407 401881358 /nfs/dbraw/zinc/88/13/58/401881358.db2.gz QNWRJQDBBRHCLW-UHFFFAOYSA-N 1 2 321.377 2.152 10 5 DEBELO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000038106731 401922450 /nfs/dbraw/zinc/92/24/50/401922450.db2.gz XIQUWKMRWKZTMW-UHFFFAOYSA-N 1 2 309.753 2.168 10 5 DEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220541653 402301272 /nfs/dbraw/zinc/30/12/72/402301272.db2.gz NYXADKGGPMXFBY-SNVBAGLBSA-N 1 2 300.318 2.370 10 5 DEBELO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220541653 402301274 /nfs/dbraw/zinc/30/12/74/402301274.db2.gz NYXADKGGPMXFBY-SNVBAGLBSA-N 1 2 300.318 2.370 10 5 DEBELO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185411266 402351170 /nfs/dbraw/zinc/35/11/70/402351170.db2.gz PTEXLVLYJXWHQY-LBPRGKRZSA-N 1 2 321.377 2.295 10 5 DEBELO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179466268 402590992 /nfs/dbraw/zinc/59/09/92/402590992.db2.gz PYNICWKGKJMHBN-UHFFFAOYSA-N 1 2 321.377 2.152 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000183333605 402757776 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O=[N+]([O-])c1ccn(CC[N@@H+]2CCCC[C@@H]2c2nccs2)n1 ZINC000176222836 402291977 /nfs/dbraw/zinc/29/19/77/402291977.db2.gz ZJYRNQMATRZDSV-LLVKDONJSA-N 1 2 307.379 2.475 10 5 DEBELO O=[N+]([O-])c1ccn(CC[N@H+]2CCCC[C@@H]2c2nccs2)n1 ZINC000176222836 402291980 /nfs/dbraw/zinc/29/19/80/402291980.db2.gz ZJYRNQMATRZDSV-LLVKDONJSA-N 1 2 307.379 2.475 10 5 DEBELO CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000189040277 402530151 /nfs/dbraw/zinc/53/01/51/402530151.db2.gz METJTDKITBYEGT-INIZCTEOSA-N 1 2 305.378 2.394 10 5 DEBELO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000189040277 402530153 /nfs/dbraw/zinc/53/01/53/402530153.db2.gz METJTDKITBYEGT-INIZCTEOSA-N 1 2 305.378 2.394 10 5 DEBELO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183348750 276388264 /nfs/dbraw/zinc/38/82/64/276388264.db2.gz BHHSTZYAOLRQIY-GFCCVEGCSA-N 1 2 314.407 2.158 10 5 DEBELO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183348750 276388268 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C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1[nH]cc[nH+]1 ZINC000141016822 186029033 /nfs/dbraw/zinc/02/90/33/186029033.db2.gz XLUUFMDEZFSYTM-VIFPVBQESA-N 1 2 306.347 2.287 10 5 DEBELO O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000610032585 361354314 /nfs/dbraw/zinc/35/43/14/361354314.db2.gz LHQXEVHHVPAGEX-UHFFFAOYSA-N 1 2 318.314 2.043 10 5 DEBELO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)C(F)(F)F)C2CC2)cc1 ZINC000121863365 195364122 /nfs/dbraw/zinc/36/41/22/195364122.db2.gz PDXKTBNISVBGDB-GFCCVEGCSA-N 1 2 304.268 2.482 10 5 DEBELO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)C(F)(F)F)C2CC2)cc1 ZINC000121863365 195364124 /nfs/dbraw/zinc/36/41/24/195364124.db2.gz PDXKTBNISVBGDB-GFCCVEGCSA-N 1 2 304.268 2.482 10 5 DEBELO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCn2cc(C)[nH+]c2C1 ZINC000376403788 133293311 /nfs/dbraw/zinc/29/33/11/133293311.db2.gz PZCSQGCAAMQWCI-UHFFFAOYSA-N 1 2 300.318 2.323 10 5 DEBELO Cc1ccc(CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(C)[nH+]1 ZINC000185252165 402338812 /nfs/dbraw/zinc/33/88/12/402338812.db2.gz PCIHCZZSXXHKIQ-UHFFFAOYSA-N 1 2 311.297 2.403 10 5 DEBELO Cc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc([N+](=O)[O-])c1 ZINC000177773043 402434519 /nfs/dbraw/zinc/43/45/19/402434519.db2.gz IOZHINXMWQECLK-CQSZACIVSA-N 1 2 314.345 2.405 10 5 DEBELO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cs1 ZINC000246595661 402538239 /nfs/dbraw/zinc/53/82/39/402538239.db2.gz CWMGPYFCKSOJAM-GHMZBOCLSA-N 1 2 300.405 2.363 10 5 DEBELO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)cs1 ZINC000246595661 402538241 /nfs/dbraw/zinc/53/82/41/402538241.db2.gz CWMGPYFCKSOJAM-GHMZBOCLSA-N 1 2 300.405 2.363 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000183333632 402757638 /nfs/dbraw/zinc/75/76/38/402757638.db2.gz JGSYSJHAHGDRRM-MRXNPFEDSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000183333632 402757640 /nfs/dbraw/zinc/75/76/40/402757640.db2.gz JGSYSJHAHGDRRM-MRXNPFEDSA-N 1 2 316.361 2.001 10 5 DEBELO COC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133986136 196352390 /nfs/dbraw/zinc/35/23/90/196352390.db2.gz WVGUGELKZFWTJD-SNVBAGLBSA-N 1 2 313.741 2.179 10 5 DEBELO COC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133986136 196352392 /nfs/dbraw/zinc/35/23/92/196352392.db2.gz WVGUGELKZFWTJD-SNVBAGLBSA-N 1 2 313.741 2.179 10 5 DEBELO O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1c[nH+]c2ccccn12 ZINC000155847821 186117658 /nfs/dbraw/zinc/11/76/58/186117658.db2.gz PQAHGHDLXRSYBH-UHFFFAOYSA-N 1 2 322.280 2.039 10 5 DEBELO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000255583931 356338173 /nfs/dbraw/zinc/33/81/73/356338173.db2.gz DWBPSPQLOXQQTD-IMMZDGJCSA-N 1 2 317.389 2.015 10 5 DEBELO O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262533359 145290611 /nfs/dbraw/zinc/29/06/11/145290611.db2.gz PYQPNSLDHOVVOZ-GAFUQQFSSA-N 1 2 305.334 2.160 10 5 DEBELO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000302827065 280365221 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O=[N+]([O-])c1cc(C[NH2+]Cc2ncc[nH]2)ccc1Br ZINC000080584729 192169844 /nfs/dbraw/zinc/16/98/44/192169844.db2.gz QCFGINHBQWWEDA-UHFFFAOYSA-N 1 2 311.139 2.370 10 5 DEBELO Cc1cc[nH+]cc1N1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000619589362 363835634 /nfs/dbraw/zinc/83/56/34/363835634.db2.gz FZNRMFXTYGGBCI-UHFFFAOYSA-N 1 2 313.361 2.328 10 5 DEBELO Cc1cnn(C[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105891554 194158540 /nfs/dbraw/zinc/15/85/40/194158540.db2.gz PCIBBKVNBJZPSB-MRXNPFEDSA-N 1 2 316.361 2.001 10 5 DEBELO Cc1cnn(C[C@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CCO2)c1 ZINC000105891554 194158542 /nfs/dbraw/zinc/15/85/42/194158542.db2.gz PCIBBKVNBJZPSB-MRXNPFEDSA-N 1 2 316.361 2.001 10 5 DEBELO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]([NH+]2CCOCC2)C1 ZINC000120973638 402008922 /nfs/dbraw/zinc/00/89/22/402008922.db2.gz DWBPSPQLOXQQTD-WMHVBEDNSA-N 1 2 317.389 2.015 10 5 DEBELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1 ZINC000054628683 402069979 /nfs/dbraw/zinc/06/99/79/402069979.db2.gz ARLGKJPQXNMOGD-UHFFFAOYSA-N 1 2 323.312 2.106 10 5 DEBELO CC[N@H+](CCS(C)(=O)=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154244439 402201146 /nfs/dbraw/zinc/20/11/46/402201146.db2.gz OYWNUPALYVWRTM-LLVKDONJSA-N 1 2 300.380 2.022 10 5 DEBELO CC[N@@H+](CCS(C)(=O)=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000154244439 402201148 /nfs/dbraw/zinc/20/11/48/402201148.db2.gz OYWNUPALYVWRTM-LLVKDONJSA-N 1 2 300.380 2.022 10 5 DEBELO CCn1cc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000191699946 402687262 /nfs/dbraw/zinc/68/72/62/402687262.db2.gz XFXLCXQAMULQJE-MRXNPFEDSA-N 1 2 316.361 2.385 10 5 DEBELO CCn1cc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CCO2)cn1 ZINC000191699946 402687267 /nfs/dbraw/zinc/68/72/67/402687267.db2.gz XFXLCXQAMULQJE-MRXNPFEDSA-N 1 2 316.361 2.385 10 5 DEBELO Cc1sc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195062754 402829762 /nfs/dbraw/zinc/82/97/62/402829762.db2.gz PIMIFNMQQXXHMS-LLVKDONJSA-N 1 2 309.391 2.275 10 5 DEBELO Cc1sc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000195062754 402829766 /nfs/dbraw/zinc/82/97/66/402829766.db2.gz PIMIFNMQQXXHMS-LLVKDONJSA-N 1 2 309.391 2.275 10 5 DEBELO Cc1cc[nH+]cc1N1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000330033257 404532413 /nfs/dbraw/zinc/53/24/13/404532413.db2.gz YIVMNHWKBIDPEH-UHFFFAOYSA-N 1 2 305.363 2.081 10 5 DEBELO C[C@H]1CCOCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000367654802 405115405 /nfs/dbraw/zinc/11/54/05/405115405.db2.gz BXCNKJWQWFBXBL-NSHDSACASA-N 1 2 308.334 2.072 10 5 DEBELO C[C@H]1CCOCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000367654802 405115407 /nfs/dbraw/zinc/11/54/07/405115407.db2.gz BXCNKJWQWFBXBL-NSHDSACASA-N 1 2 308.334 2.072 10 5 DEBELO CC(C)c1ccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375239340 276052855 /nfs/dbraw/zinc/05/28/55/276052855.db2.gz UFAXAUISIHAJMU-HNNXBMFYSA-N 1 2 319.405 2.235 10 5 DEBELO CC(C)c1ccc(C[N@H+]2CCN3CCOC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375239340 276052856 /nfs/dbraw/zinc/05/28/56/276052856.db2.gz UFAXAUISIHAJMU-HNNXBMFYSA-N 1 2 319.405 2.235 10 5 DEBELO CC(=CC(=O)NCc1[nH]c[nH+]c1C)c1ccc([N+](=O)[O-])cc1 ZINC000752500880 639190793 /nfs/dbraw/zinc/19/07/93/639190793.db2.gz LIHWUUPQBCUSEN-YFHOEESVSA-N 1 2 300.318 2.346 10 5 DEBELO Cc1cnc(CC[N@@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000165220553 646490854 /nfs/dbraw/zinc/49/08/54/646490854.db2.gz CPKPLOVLMHNJCG-UHFFFAOYSA-N 1 2 309.395 2.305 10 5 DEBELO Cc1cnc(CC[N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)s1 ZINC000165220553 646490861 /nfs/dbraw/zinc/49/08/61/646490861.db2.gz CPKPLOVLMHNJCG-UHFFFAOYSA-N 1 2 309.395 2.305 10 5 DEBELO CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122355298 684114608 /nfs/dbraw/zinc/11/46/08/684114608.db2.gz XCIUJQRNLQZRDU-LBPRGKRZSA-N 1 2 311.769 2.349 10 5 DEBELO CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122355298 684114610 /nfs/dbraw/zinc/11/46/10/684114610.db2.gz XCIUJQRNLQZRDU-LBPRGKRZSA-N 1 2 311.769 2.349 10 5 DEBELO