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+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 ZINC000040088673 183032954 /nfs/dbraw/zinc/03/29/54/183032954.db2.gz CTSBVQCWPZYDAF-KRWDZBQOSA-N 1 1 300.358 3.150 50 5 DGBAMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCC(C)C)C1CC1 ZINC000058148108 184080787 /nfs/dbraw/zinc/08/07/87/184080787.db2.gz NWFSMWFKLNWOSQ-UHFFFAOYSA-N 1 1 319.405 3.352 50 5 DGBAMO O=[N+]([O-])c1c(F)cccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000049980422 285077061 /nfs/dbraw/zinc/07/70/61/285077061.db2.gz JSKJAVZPTLRZSZ-UHFFFAOYSA-N 1 1 315.348 3.056 50 5 DGBAMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000095430647 185362929 /nfs/dbraw/zinc/36/29/29/185362929.db2.gz VEHSYMDYJCHZNO-UHFFFAOYSA-N 1 1 317.345 3.039 50 5 DGBAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C ZINC000006049294 181308396 /nfs/dbraw/zinc/30/83/96/181308396.db2.gz FEROKPWCSKMTRU-ZDUSSCGKSA-N 1 1 305.378 3.025 50 5 DGBAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1C ZINC000006049294 181308398 /nfs/dbraw/zinc/30/83/98/181308398.db2.gz FEROKPWCSKMTRU-ZDUSSCGKSA-N 1 1 305.378 3.025 50 5 DGBAMO O=[N+]([O-])c1cccnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040091219 183033487 /nfs/dbraw/zinc/03/34/87/183033487.db2.gz FSVQJOLITOLZBM-HNNXBMFYSA-N 1 1 312.373 3.066 50 5 DGBAMO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccncc1 ZINC000097370626 431968267 /nfs/dbraw/zinc/96/82/67/431968267.db2.gz RGGYGMPIQULAAN-LBPRGKRZSA-N 1 1 324.340 3.496 50 5 DGBAMO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000252510830 432381446 /nfs/dbraw/zinc/38/14/46/432381446.db2.gz CAKLQGSXOLKYSA-MLGOLLRUSA-N 1 1 318.352 3.014 50 5 DGBAMO C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000252510830 432381449 /nfs/dbraw/zinc/38/14/49/432381449.db2.gz CAKLQGSXOLKYSA-MLGOLLRUSA-N 1 1 318.352 3.014 50 5 DGBAMO O=C(C[NH+]1CCCCCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000006083727 181311139 /nfs/dbraw/zinc/31/11/39/181311139.db2.gz HJZOAIDKCOXGTI-UHFFFAOYSA-N 1 1 311.769 3.063 50 5 DGBAMO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl ZINC000013040581 431544202 /nfs/dbraw/zinc/54/42/02/431544202.db2.gz AFIMPOJEVQKSOV-AWEZNQCLSA-N 1 1 320.780 3.358 50 5 DGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000029584380 431723633 /nfs/dbraw/zinc/72/36/33/431723633.db2.gz AFADQOCVXGDHRX-UHFFFAOYSA-N 1 1 315.348 3.056 50 5 DGBAMO CCCO[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206573 545777485 /nfs/dbraw/zinc/77/74/85/545777485.db2.gz REUIXBRRZKNBTG-CYBMUJFWSA-N 1 1 319.361 3.127 50 5 DGBAMO CCCO[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206573 545777491 /nfs/dbraw/zinc/77/74/91/545777491.db2.gz REUIXBRRZKNBTG-CYBMUJFWSA-N 1 1 319.361 3.127 50 5 DGBAMO CC(C)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000040063292 183030493 /nfs/dbraw/zinc/03/04/93/183030493.db2.gz ZUDBGENFFNKHKJ-UHFFFAOYSA-N 1 1 305.378 3.044 50 5 DGBAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000004026857 181063538 /nfs/dbraw/zinc/06/35/38/181063538.db2.gz UMQQXOPMXGZMCZ-GOEBONIOSA-N 1 1 318.373 3.016 50 5 biogenic DGBAMO CC[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004989066 181185923 /nfs/dbraw/zinc/18/59/23/181185923.db2.gz DTHBNBYFAKIVGS-ZDUSSCGKSA-N 1 1 308.378 3.377 50 5 DGBAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000000360083 431171353 /nfs/dbraw/zinc/17/13/53/431171353.db2.gz UMQQXOPMXGZMCZ-HOCLYGCPSA-N 1 1 318.373 3.016 50 5 DGBAMO COC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026209664 431672562 /nfs/dbraw/zinc/67/25/62/431672562.db2.gz QPDSQJGOLBRMJY-UHFFFAOYSA-N 1 1 314.341 3.013 50 5 DGBAMO COC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000026209664 431672570 /nfs/dbraw/zinc/67/25/70/431672570.db2.gz QPDSQJGOLBRMJY-UHFFFAOYSA-N 1 1 314.341 3.013 50 5 DGBAMO C[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012766416 431524598 /nfs/dbraw/zinc/52/45/98/431524598.db2.gz QFNBXMICTMTRHQ-UHFFFAOYSA-N 1 1 314.341 3.093 50 5 DGBAMO C[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012766416 431524604 /nfs/dbraw/zinc/52/46/04/431524604.db2.gz QFNBXMICTMTRHQ-UHFFFAOYSA-N 1 1 314.341 3.093 50 5 DGBAMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023694066 431638431 /nfs/dbraw/zinc/63/84/31/431638431.db2.gz OMHCEEIRCQRUAS-HNNXBMFYSA-N 1 1 311.385 3.478 50 5 DGBAMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000036396222 431839330 /nfs/dbraw/zinc/83/93/30/431839330.db2.gz ZAFLAACZZZPTMZ-OAHLLOKOSA-N 1 1 312.373 3.066 50 5 DGBAMO Cc1ccccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000055543058 431983347 /nfs/dbraw/zinc/98/33/47/431983347.db2.gz ZEBFCTMOCHTCQQ-UHFFFAOYSA-N 1 1 311.385 3.225 50 5 DGBAMO CCc1[nH+]ccn1[C@@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122947927 281539611 /nfs/dbraw/zinc/53/96/11/281539611.db2.gz SKEYRWCPEYXVKY-GFCCVEGCSA-N 1 1 318.352 3.334 50 5 DGBAMO C[N@@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252523257 432383664 /nfs/dbraw/zinc/38/36/64/432383664.db2.gz CEYCKUBSMVORCQ-FUHWJXTLSA-N 1 1 311.385 3.130 50 5 DGBAMO C[N@H+]1CC[C@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252523257 432383669 /nfs/dbraw/zinc/38/36/69/432383669.db2.gz CEYCKUBSMVORCQ-FUHWJXTLSA-N 1 1 311.385 3.130 50 5 DGBAMO O=[N+]([O-])c1cccnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000040091220 183033363 /nfs/dbraw/zinc/03/33/63/183033363.db2.gz FSVQJOLITOLZBM-OAHLLOKOSA-N 1 1 312.373 3.066 50 5 DGBAMO Cc1[nH]c2c3ccccc3ccc2c(=O)c1C[NH+]1CCN(C)CC1 ZINC000019577245 279120317 /nfs/dbraw/zinc/12/03/17/279120317.db2.gz LXNIRJPYIPJZBP-UHFFFAOYSA-N 1 1 321.424 3.149 50 5 DGBAMO Cc1[nH]c2c3ccccc3ccc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019577245 279120318 /nfs/dbraw/zinc/12/03/18/279120318.db2.gz LXNIRJPYIPJZBP-UHFFFAOYSA-N 1 1 321.424 3.149 50 5 DGBAMO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccccc1Cl ZINC000013040582 431544407 /nfs/dbraw/zinc/54/44/07/431544407.db2.gz AFIMPOJEVQKSOV-CQSZACIVSA-N 1 1 320.780 3.358 50 5 DGBAMO CC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016695541 431613362 /nfs/dbraw/zinc/61/33/62/431613362.db2.gz CSRYRJDUROFNJW-CQSZACIVSA-N 1 1 306.362 3.226 50 5 DGBAMO CCCO[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206582 545777057 /nfs/dbraw/zinc/77/70/57/545777057.db2.gz REUIXBRRZKNBTG-ZDUSSCGKSA-N 1 1 319.361 3.127 50 5 DGBAMO CCCO[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083206582 545777062 /nfs/dbraw/zinc/77/70/62/545777062.db2.gz REUIXBRRZKNBTG-ZDUSSCGKSA-N 1 1 319.361 3.127 50 5 DGBAMO COc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000095416657 185359045 /nfs/dbraw/zinc/35/90/45/185359045.db2.gz MZORENXOUMAMMC-GFCCVEGCSA-N 1 1 301.346 3.158 50 5 DGBAMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc1 ZINC000080155735 192007310 /nfs/dbraw/zinc/00/73/10/192007310.db2.gz QVXSADAHPMHCHE-UHFFFAOYSA-N 1 1 318.421 3.082 50 5 DGBAMO CC1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000065538644 184363348 /nfs/dbraw/zinc/36/33/48/184363348.db2.gz OWRKAIKSOZQUAT-UHFFFAOYSA-N 1 1 320.389 3.472 50 5 DGBAMO Cc1cc([C@@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000052531158 431956690 /nfs/dbraw/zinc/95/66/90/431956690.db2.gz AGLVPLKHNNAGMC-INIZCTEOSA-N 1 1 301.346 3.271 50 5 DGBAMO Cc1ccc(NC(=O)C[N@H+](C)C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000039978297 183026525 /nfs/dbraw/zinc/02/65/25/183026525.db2.gz QRRGDXQTXPLUIC-UHFFFAOYSA-N 1 1 319.405 3.352 50 5 DGBAMO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccncc1 ZINC000097370627 431967665 /nfs/dbraw/zinc/96/76/65/431967665.db2.gz RGGYGMPIQULAAN-GFCCVEGCSA-N 1 1 324.340 3.496 50 5 DGBAMO Cn1c[nH+]cc1CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000097373074 431967903 /nfs/dbraw/zinc/96/79/03/431967903.db2.gz TVXZWCRPCFUTDB-UHFFFAOYSA-N 1 1 314.267 3.002 50 5 DGBAMO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000004987557 181185130 /nfs/dbraw/zinc/18/51/30/181185130.db2.gz BJNIUGUNIMWEMW-UHFFFAOYSA-N 1 1 308.378 3.234 50 5 DGBAMO C[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252523258 432383061 /nfs/dbraw/zinc/38/30/61/432383061.db2.gz CEYCKUBSMVORCQ-SJLPKXTDSA-N 1 1 311.385 3.130 50 5 DGBAMO C[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000252523258 432383065 /nfs/dbraw/zinc/38/30/65/432383065.db2.gz CEYCKUBSMVORCQ-SJLPKXTDSA-N 1 1 311.385 3.130 50 5 DGBAMO C[N@@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000225845584 432700896 /nfs/dbraw/zinc/70/08/96/432700896.db2.gz CEYCKUBSMVORCQ-AEFFLSMTSA-N 1 1 311.385 3.130 50 5 DGBAMO C[N@H+]1CC[C@@H](NCc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000225845584 432700898 /nfs/dbraw/zinc/70/08/98/432700898.db2.gz CEYCKUBSMVORCQ-AEFFLSMTSA-N 1 1 311.385 3.130 50 5 DGBAMO O=C(C[NH+]1CCCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006861850 190625151 /nfs/dbraw/zinc/62/51/51/190625151.db2.gz NVKUCQRRHBJMRJ-UHFFFAOYSA-N 1 1 311.769 3.063 50 5 DGBAMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000044977905 431879905 /nfs/dbraw/zinc/87/99/05/431879905.db2.gz BKDRQLUOJXSISW-AWEZNQCLSA-N 1 1 301.346 3.139 50 5 DGBAMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000044977901 431880331 /nfs/dbraw/zinc/88/03/31/431880331.db2.gz BKDRQLUOJXSISW-CQSZACIVSA-N 1 1 301.346 3.139 50 5 DGBAMO C[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000095982608 431931804 /nfs/dbraw/zinc/93/18/04/431931804.db2.gz VIMYHJXENBYQJA-UHFFFAOYSA-N 1 1 323.356 3.012 50 5 DGBAMO C[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000095982608 431931806 /nfs/dbraw/zinc/93/18/06/431931806.db2.gz VIMYHJXENBYQJA-UHFFFAOYSA-N 1 1 323.356 3.012 50 5 DGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000055543911 431983419 /nfs/dbraw/zinc/98/34/19/431983419.db2.gz GVGZASPSSQYCBT-UHFFFAOYSA-N 1 1 315.348 3.056 50 5 DGBAMO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000055543786 431983714 /nfs/dbraw/zinc/98/37/14/431983714.db2.gz JFNUACLCKBGXTM-UHFFFAOYSA-N 1 1 315.348 3.056 50 5 DGBAMO CC(C)[C@H]1CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000084456591 431825788 /nfs/dbraw/zinc/82/57/88/431825788.db2.gz UKQKIQUDHLLIAY-CQSZACIVSA-N 1 1 316.361 3.265 50 5 DGBAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000005004114 181188815 /nfs/dbraw/zinc/18/88/15/181188815.db2.gz UMQQXOPMXGZMCZ-GDBMZVCRSA-N 1 1 318.373 3.016 50 5 DGBAMO Cc1ccc([N+](=O)[O-])c(OCC[N@H+]2CCc3ccccc3C2)c1 ZINC000020322522 182206958 /nfs/dbraw/zinc/20/69/58/182206958.db2.gz AUIABNOHKCXLLO-UHFFFAOYSA-N 1 1 312.369 3.340 50 5 DGBAMO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1[O-] ZINC000004988767 431305340 /nfs/dbraw/zinc/30/53/40/431305340.db2.gz JSPMAJLMBMBAHE-KBPBESRZSA-N 1 1 320.389 3.464 50 5 DGBAMO Cc1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055291870 431979719 /nfs/dbraw/zinc/97/97/19/431979719.db2.gz PPBMIUYVKOPPTF-UHFFFAOYSA-N 1 1 311.385 3.225 50 5 DGBAMO CC(C)c1[nH+]ccn1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000097053397 431958695 /nfs/dbraw/zinc/95/86/95/431958695.db2.gz VASHKXYHHUCYLA-UHFFFAOYSA-N 1 1 322.752 3.207 50 5 DGBAMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000252510829 432380948 /nfs/dbraw/zinc/38/09/48/432380948.db2.gz CAKLQGSXOLKYSA-BLLLJJGKSA-N 1 1 318.352 3.014 50 5 DGBAMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1n1ccnc1 ZINC000252510829 432380950 /nfs/dbraw/zinc/38/09/50/432380950.db2.gz CAKLQGSXOLKYSA-BLLLJJGKSA-N 1 1 318.352 3.014 50 5 DGBAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1C ZINC000006049295 181308308 /nfs/dbraw/zinc/30/83/08/181308308.db2.gz FEROKPWCSKMTRU-CYBMUJFWSA-N 1 1 305.378 3.025 50 5 DGBAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1C ZINC000006049295 181308309 /nfs/dbraw/zinc/30/83/09/181308309.db2.gz FEROKPWCSKMTRU-CYBMUJFWSA-N 1 1 305.378 3.025 50 5 DGBAMO CC(C)(C)C1=CC[N@@H+](CCNc2ncccc2[N+](=O)[O-])CC1 ZINC000253428712 202885192 /nfs/dbraw/zinc/88/51/92/202885192.db2.gz KUQGZGNGZSTBKO-UHFFFAOYSA-N 1 1 304.394 3.080 50 5 DGBAMO CC(C)C[N@@H+](Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000032926823 431801261 /nfs/dbraw/zinc/80/12/61/431801261.db2.gz LBQBYTRVJHGIJA-UHFFFAOYSA-N 1 1 317.393 3.177 50 5 DGBAMO C[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000096441577 431950156 /nfs/dbraw/zinc/95/01/56/431950156.db2.gz ZALNNFKMCZMHEV-CQSZACIVSA-N 1 1 306.387 3.212 50 5 DGBAMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000096441577 431950158 /nfs/dbraw/zinc/95/01/58/431950158.db2.gz ZALNNFKMCZMHEV-CQSZACIVSA-N 1 1 306.387 3.212 50 5 DGBAMO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000245565626 432844975 /nfs/dbraw/zinc/84/49/75/432844975.db2.gz DTJPWBAYUZGVRI-MLGOLLRUSA-N 1 1 318.352 3.014 50 5 DGBAMO C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000245565626 432844980 /nfs/dbraw/zinc/84/49/80/432844980.db2.gz DTJPWBAYUZGVRI-MLGOLLRUSA-N 1 1 318.352 3.014 50 5 DGBAMO CC[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000004989065 181185869 /nfs/dbraw/zinc/18/58/69/181185869.db2.gz DTHBNBYFAKIVGS-CYBMUJFWSA-N 1 1 308.378 3.377 50 5 DGBAMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CC3CC3)C3CC3)n2)cc1 ZINC000058428390 184116920 /nfs/dbraw/zinc/11/69/20/184116920.db2.gz QMKSQNUGUNLPPN-UHFFFAOYSA-N 1 1 314.345 3.019 50 5 DGBAMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](CC(C)C)N(C)C ZINC000060358334 184146628 /nfs/dbraw/zinc/14/66/28/184146628.db2.gz GZRFSCQMAZJPQJ-INIZCTEOSA-N 1 1 323.437 3.059 50 5 DGBAMO Cc1nn(C)c(C)c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130852688 196116168 /nfs/dbraw/zinc/11/61/68/196116168.db2.gz IFMHOWVUCJBSFZ-UHFFFAOYSA-N 1 1 314.389 3.110 50 5 DGBAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130852688 196116170 /nfs/dbraw/zinc/11/61/70/196116170.db2.gz IFMHOWVUCJBSFZ-UHFFFAOYSA-N 1 1 314.389 3.110 50 5 DGBAMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCCC1 ZINC000046503683 431897776 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DGBAMO CCc1[nH+]ccn1CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000952992388 662210826 /nfs/dbraw/zinc/21/08/26/662210826.db2.gz LRRYWYLPLOHCCH-UHFFFAOYSA-N 1 1 311.345 3.014 50 5 DGBAMO COc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C)cn1 ZINC000095416656 185358937 /nfs/dbraw/zinc/35/89/37/185358937.db2.gz MZORENXOUMAMMC-LBPRGKRZSA-N 1 1 301.346 3.158 50 5 DGBAMO O=C(C[NH+]1CCCCCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000006753583 181384043 /nfs/dbraw/zinc/38/40/43/181384043.db2.gz PYECQDXHZVWDRN-UHFFFAOYSA-N 1 1 311.769 3.063 50 5 DGBAMO O=[N+]([O-])c1ccc2cnn(C[N@@H+](C3CC3)C3CCCC3)c2c1 ZINC000032923200 285147859 /nfs/dbraw/zinc/14/78/59/285147859.db2.gz GYBPBJVNASLCSQ-UHFFFAOYSA-N 1 1 300.362 3.309 50 5 DGBAMO C[NH+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000215629422 400947814 /nfs/dbraw/zinc/94/78/14/400947814.db2.gz MDOGSZWPMOUNOS-UHFFFAOYSA-N 1 1 301.302 3.135 50 5 DGBAMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000036396221 431839691 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CCc1[nH+]ccn1[C@H]1CCCN(c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122948175 276704820 /nfs/dbraw/zinc/70/48/20/276704820.db2.gz SKEYRWCPEYXVKY-LBPRGKRZSA-N 1 1 318.352 3.334 50 5 DGBAMO CC(C)c1ccc(C[NH2+]C2CCN(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000071793375 431287046 /nfs/dbraw/zinc/28/70/46/431287046.db2.gz NIFRBKNKPUORRW-UHFFFAOYSA-N 1 1 317.433 3.435 50 5 DGBAMO C[N@@H+](Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CCCCC1 ZINC000048340444 431923936 /nfs/dbraw/zinc/92/39/36/431923936.db2.gz LHOOJMSYJCXHEC-UHFFFAOYSA-N 1 1 315.377 3.075 50 5 DGBAMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2sccc2C1 ZINC000051530909 431952083 /nfs/dbraw/zinc/95/20/83/431952083.db2.gz UJYWEXMIANBKCR-UHFFFAOYSA-N 1 1 304.371 3.093 50 5 DGBAMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCc2sccc2C1 ZINC000051530909 431952085 /nfs/dbraw/zinc/95/20/85/431952085.db2.gz UJYWEXMIANBKCR-UHFFFAOYSA-N 1 1 304.371 3.093 50 5 DGBAMO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000097032371 185399333 /nfs/dbraw/zinc/39/93/33/185399333.db2.gz DTJPWBAYUZGVRI-LRDDRELGSA-N 1 1 318.352 3.014 50 5 DGBAMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000097032371 185399334 /nfs/dbraw/zinc/39/93/34/185399334.db2.gz DTJPWBAYUZGVRI-LRDDRELGSA-N 1 1 318.352 3.014 50 5 DGBAMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(F)cc1 ZINC000058441093 184118868 /nfs/dbraw/zinc/11/88/68/184118868.db2.gz FDTDMLLMMICLAA-UHFFFAOYSA-N 1 1 304.321 3.422 50 5 DGBAMO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1ccnc1 ZINC000095981729 431932182 /nfs/dbraw/zinc/93/21/82/431932182.db2.gz CAKLQGSXOLKYSA-LRDDRELGSA-N 1 1 318.352 3.014 50 5 DGBAMO C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1n1ccnc1 ZINC000095981729 431932183 /nfs/dbraw/zinc/93/21/83/431932183.db2.gz CAKLQGSXOLKYSA-LRDDRELGSA-N 1 1 318.352 3.014 50 5 DGBAMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C1CC1)C1CC1 ZINC000050989515 431949600 /nfs/dbraw/zinc/94/96/00/431949600.db2.gz ZMXGZWPOVJDNMZ-UHFFFAOYSA-N 1 1 318.373 3.082 50 5 DGBAMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCCC1 ZINC000083862642 545781434 /nfs/dbraw/zinc/78/14/34/545781434.db2.gz OREDHKDOYVRHOL-UHFFFAOYSA-N 1 1 319.405 3.238 50 5 DGBAMO Cc1c([C@@H](C)[NH2+]Cc2cn3ccsc3n2)cccc1[N+](=O)[O-] ZINC000095421028 185360620 /nfs/dbraw/zinc/36/06/20/185360620.db2.gz CMWYWUDLDHPFNR-LLVKDONJSA-N 1 1 316.386 3.463 50 5 DGBAMO O=[N+]([O-])c1ccc(NCCc2cn3c([nH+]2)CCCC3)c(Cl)c1 ZINC000012520260 181769625 /nfs/dbraw/zinc/76/96/25/181769625.db2.gz CRGCGRWDYQNNHT-UHFFFAOYSA-N 1 1 320.780 3.436 50 5 DGBAMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3cccs3)CC2)s1 ZINC000064029496 184292082 /nfs/dbraw/zinc/29/20/82/184292082.db2.gz FDCQCHRXAJCNLN-UHFFFAOYSA-N 1 1 323.443 3.430 50 5 DGBAMO O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000057292052 275033843 /nfs/dbraw/zinc/03/38/43/275033843.db2.gz WBHSFTOQQCONPY-UHFFFAOYSA-N 1 1 315.348 3.056 50 5 DGBAMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1[O-] ZINC000004988765 431303890 /nfs/dbraw/zinc/30/38/90/431303890.db2.gz JSPMAJLMBMBAHE-KGLIPLIRSA-N 1 1 320.389 3.464 50 5 DGBAMO O=[N+]([O-])c1ccc(N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000004980659 431304339 /nfs/dbraw/zinc/30/43/39/431304339.db2.gz XWUBMXKJHGQLQK-QPJJXVBHSA-N 1 1 323.396 3.430 50 5 DGBAMO CC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000016695542 431611873 /nfs/dbraw/zinc/61/18/73/431611873.db2.gz CSRYRJDUROFNJW-AWEZNQCLSA-N 1 1 306.362 3.226 50 5 DGBAMO Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1[N+](=O)[O-] ZINC000277660198 432867681 /nfs/dbraw/zinc/86/76/81/432867681.db2.gz GRPLYEPRTKSFRZ-UHFFFAOYSA-N 1 1 311.385 3.467 50 5 DGBAMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2)CC1 ZINC000023694062 431639268 /nfs/dbraw/zinc/63/92/68/431639268.db2.gz OMHCEEIRCQRUAS-OAHLLOKOSA-N 1 1 311.385 3.478 50 5 DGBAMO O=[N+]([O-])c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000055542988 431983324 /nfs/dbraw/zinc/98/33/24/431983324.db2.gz SSWSQOCQMSPPAM-UHFFFAOYSA-N 1 1 315.348 3.056 50 5 DGBAMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000060358333 431998899 /nfs/dbraw/zinc/99/88/99/431998899.db2.gz GZRFSCQMAZJPQJ-MRXNPFEDSA-N 1 1 323.437 3.059 50 5 DGBAMO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000245565624 432844298 /nfs/dbraw/zinc/84/42/98/432844298.db2.gz DTJPWBAYUZGVRI-BLLLJJGKSA-N 1 1 318.352 3.014 50 5 DGBAMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000245565624 432844300 /nfs/dbraw/zinc/84/43/00/432844300.db2.gz DTJPWBAYUZGVRI-BLLLJJGKSA-N 1 1 318.352 3.014 50 5 DGBAMO COc1cc(NCCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000095412083 185357728 /nfs/dbraw/zinc/35/77/28/185357728.db2.gz DIAXSZFTXSOAJV-UHFFFAOYSA-N 1 1 322.340 3.140 50 5 DGBAMO Cc1cc([C@H]2CCC[N@H+]2CCc2ccc([N+](=O)[O-])cc2)no1 ZINC000052531159 431956567 /nfs/dbraw/zinc/95/65/67/431956567.db2.gz AGLVPLKHNNAGMC-MRXNPFEDSA-N 1 1 301.346 3.271 50 5 DGBAMO Cc1c([C@H](C)[NH2+]Cc2cn3ccsc3n2)cccc1[N+](=O)[O-] ZINC000095421029 185360354 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