smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(Nc2ccc([NH2+]C3CCOCC3)cc2)nc1 ZINC000069378456 431184302 /nfs/dbraw/zinc/18/43/02/431184302.db2.gz HNFQKQUBVDWXOC-UHFFFAOYSA-N 1 2 314.345 3.324 50 5 DGBALO O=C(Nc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008778627 431413828 /nfs/dbraw/zinc/41/38/28/431413828.db2.gz XEIKDDUUGQQYRN-UHFFFAOYSA-N 1 2 308.297 3.033 50 5 DGBALO O=[N+]([O-])c1cc(F)ccc1NCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000072313850 191120665 /nfs/dbraw/zinc/12/06/65/191120665.db2.gz JWIXFOGXRIRQBA-UHFFFAOYSA-N 1 2 318.283 3.404 50 5 DGBALO C[C@H](c1cccnc1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000093234946 193219682 /nfs/dbraw/zinc/21/96/82/193219682.db2.gz ZCRSXCVAVMLPCI-LLVKDONJSA-N 1 2 312.329 3.324 50 5 DGBALO C[C@H](c1cccnc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000093234946 193219684 /nfs/dbraw/zinc/21/96/84/193219684.db2.gz ZCRSXCVAVMLPCI-LLVKDONJSA-N 1 2 312.329 3.324 50 5 DGBALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000039477909 183019120 /nfs/dbraw/zinc/01/91/20/183019120.db2.gz OWXLLMVRVAXUFF-UHFFFAOYSA-N 1 2 324.340 3.146 50 5 DGBALO C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000078569544 431683509 /nfs/dbraw/zinc/68/35/09/431683509.db2.gz LEVZXVHFQVPXEH-LBPRGKRZSA-N 1 2 309.329 3.349 50 5 DGBALO COc1ccc(C[N@H+](C)Cc2ccncc2Cl)cc1[N+](=O)[O-] ZINC000096445702 431951029 /nfs/dbraw/zinc/95/10/29/431951029.db2.gz QUXBLIPEHASFNS-UHFFFAOYSA-N 1 2 321.764 3.284 50 5 DGBALO COc1ccc(C[N@@H+](C)Cc2ccncc2Cl)cc1[N+](=O)[O-] ZINC000096445702 431951032 /nfs/dbraw/zinc/95/10/32/431951032.db2.gz QUXBLIPEHASFNS-UHFFFAOYSA-N 1 2 321.764 3.284 50 5 DGBALO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005860462 181290580 /nfs/dbraw/zinc/29/05/80/181290580.db2.gz DWBHKPRKGUWKCX-SNVBAGLBSA-N 1 2 311.769 3.061 50 5 DGBALO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005860462 181290581 /nfs/dbraw/zinc/29/05/81/181290581.db2.gz DWBHKPRKGUWKCX-SNVBAGLBSA-N 1 2 311.769 3.061 50 5 DGBALO O=[N+]([O-])c1cccnc1N1CCC(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000014307372 280376382 /nfs/dbraw/zinc/37/63/82/280376382.db2.gz SZPMYRQGHFKRQB-UHFFFAOYSA-N 1 2 323.356 3.250 50 5 DGBALO O=[N+]([O-])c1ccc(N2CCC(c3[nH]c4ccccc4[nH+]3)CC2)nc1 ZINC000014307455 431591453 /nfs/dbraw/zinc/59/14/53/431591453.db2.gz NZRILRFZZYHFRI-UHFFFAOYSA-N 1 2 323.356 3.250 50 5 DGBALO O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000096478037 431952797 /nfs/dbraw/zinc/95/27/97/431952797.db2.gz YCZRQMPLJPNMTK-CQSZACIVSA-N 1 2 304.325 3.184 50 5 DGBALO COc1cc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])ccc1O ZINC000177050334 432579218 /nfs/dbraw/zinc/57/92/18/432579218.db2.gz PWJJEYJYDWSJTE-UHFFFAOYSA-N 1 2 320.320 3.080 50 5 DGBALO COc1cc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])ccc1O ZINC000177050334 432579224 /nfs/dbraw/zinc/57/92/24/432579224.db2.gz PWJJEYJYDWSJTE-UHFFFAOYSA-N 1 2 320.320 3.080 50 5 DGBALO Cc1cccn2cc(CNc3ncc([N+](=O)[O-])cc3Cl)[nH+]c12 ZINC000092826040 185344657 /nfs/dbraw/zinc/34/46/57/185344657.db2.gz KBVNGIHCFNMNBQ-UHFFFAOYSA-N 1 2 317.736 3.211 50 5 DGBALO COc1cccc2c1oc(=O)c1c(N)[nH+]c3c(c21)C[C@H](C)CC3 ZINC000000054531 431117385 /nfs/dbraw/zinc/11/73/85/431117385.db2.gz UIZDRDNLLBBVDN-SECBINFHSA-N 1 2 310.353 3.057 50 5 biogenic DGBALO O=[N+]([O-])c1cccnc1Nc1ccc([NH2+]C2CCOCC2)cc1 ZINC000069561353 431200021 /nfs/dbraw/zinc/20/00/21/431200021.db2.gz UUJXPORVAURFCM-UHFFFAOYSA-N 1 2 314.345 3.324 50 5 DGBALO O=[N+]([O-])c1cccnc1N1CCC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000014309249 431590372 /nfs/dbraw/zinc/59/03/72/431590372.db2.gz WVULSWHSSGMZOI-LBPRGKRZSA-N 1 2 323.356 3.250 50 5 DGBALO Cc1cc2[nH+]cn(CC(=O)Nc3cccc([N+](=O)[O-])c3)c2cc1C ZINC000005060824 181199305 /nfs/dbraw/zinc/19/93/05/181199305.db2.gz YGTPITAZIKWSLO-UHFFFAOYSA-N 1 2 324.340 3.200 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@H]([NH+]1C[C@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000169295738 432071490 /nfs/dbraw/zinc/07/14/90/432071490.db2.gz KXNOTNFTDYFDHS-MKBNYLNASA-N 1 2 320.389 3.225 50 5 DGBALO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000072283510 400378357 /nfs/dbraw/zinc/37/83/57/400378357.db2.gz PXPMPUXCPKQWSP-UHFFFAOYSA-N 1 2 316.704 3.148 50 5 DGBALO O=[N+]([O-])c1ccc(/C=C/c2[nH+]ccn2Cc2ccccc2)nc1 ZINC000084503583 431825513 /nfs/dbraw/zinc/82/55/13/431825513.db2.gz PGUCDMCZOMOCNI-VQHVLOKHSA-N 1 2 306.325 3.405 50 5 DGBALO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000095422791 431925253 /nfs/dbraw/zinc/92/52/53/431925253.db2.gz BEDFLBVYIOIOSJ-CQSZACIVSA-N 1 2 304.325 3.184 50 5 DGBALO Cc1noc(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000189723776 432814651 /nfs/dbraw/zinc/81/46/51/432814651.db2.gz ATQLINBSKMVPCV-UHFFFAOYSA-N 1 2 309.753 3.485 50 5 DGBALO Cc1noc(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000189723776 432814654 /nfs/dbraw/zinc/81/46/54/432814654.db2.gz ATQLINBSKMVPCV-UHFFFAOYSA-N 1 2 309.753 3.485 50 5 DGBALO CC[N@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095430636 185362843 /nfs/dbraw/zinc/36/28/43/185362843.db2.gz NRZFSEYELMEFBI-GFCCVEGCSA-N 1 2 317.345 3.037 50 5 DGBALO CC[N@@H+](Cc1ccoc1)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095430636 185362844 /nfs/dbraw/zinc/36/28/44/185362844.db2.gz NRZFSEYELMEFBI-GFCCVEGCSA-N 1 2 317.345 3.037 50 5 DGBALO COc1cc(C[N@@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1O ZINC000093335359 193232854 /nfs/dbraw/zinc/23/28/54/193232854.db2.gz PISJSSLYMQEHFE-GFCCVEGCSA-N 1 2 318.329 3.239 50 5 DGBALO COc1cc(C[N@H+]2CCC[C@@H]2c2ccco2)c([N+](=O)[O-])cc1O ZINC000093335359 193232855 /nfs/dbraw/zinc/23/28/55/193232855.db2.gz PISJSSLYMQEHFE-GFCCVEGCSA-N 1 2 318.329 3.239 50 5 DGBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000058379697 184110487 /nfs/dbraw/zinc/11/04/87/184110487.db2.gz RODXAQVWGOOVTI-UHFFFAOYSA-N 1 2 322.324 3.341 50 5 DGBALO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccc1O ZINC000005033025 400086288 /nfs/dbraw/zinc/08/62/88/400086288.db2.gz LHEBYXWGXVRHGX-HNNXBMFYSA-N 1 2 313.357 3.423 50 5 DGBALO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)ccc1O ZINC000005033025 400086290 /nfs/dbraw/zinc/08/62/90/400086290.db2.gz LHEBYXWGXVRHGX-HNNXBMFYSA-N 1 2 313.357 3.423 50 5 DGBALO CC1CC[NH+](Cc2cc([N+](=O)[O-])c(O)c3ncccc23)CC1 ZINC000000060893 431117618 /nfs/dbraw/zinc/11/76/18/431117618.db2.gz SAJJSRIZJCOPNO-UHFFFAOYSA-N 1 2 301.346 3.081 50 5 biogenic DGBALO O=C(C[NH+]1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002629486 431260577 /nfs/dbraw/zinc/26/05/77/431260577.db2.gz GJMDAJHHFAAKPL-UHFFFAOYSA-N 1 2 311.769 3.063 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000241316860 432816048 /nfs/dbraw/zinc/81/60/48/432816048.db2.gz LVNVKKGPPGKLRY-CABCVRRESA-N 1 2 308.403 3.160 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000241316860 432816053 /nfs/dbraw/zinc/81/60/53/432816053.db2.gz LVNVKKGPPGKLRY-CABCVRRESA-N 1 2 308.403 3.160 50 5 DGBALO Cc1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2)nc1 ZINC000080542720 192165979 /nfs/dbraw/zinc/16/59/79/192165979.db2.gz GCBJLNNATHOJRL-UHFFFAOYSA-N 1 2 309.329 3.096 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 ZINC000020444591 182217820 /nfs/dbraw/zinc/21/78/20/182217820.db2.gz KXNOTNFTDYFDHS-XHBSWPGZSA-N 1 2 320.389 3.225 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@H]([NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)O2 ZINC000020444598 182217960 /nfs/dbraw/zinc/21/79/60/182217960.db2.gz KXNOTNFTDYFDHS-HSMVNMDESA-N 1 2 320.389 3.225 50 5 DGBALO CC[N@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000047265740 431908089 /nfs/dbraw/zinc/90/80/89/431908089.db2.gz ULMRDSZFGJUZOL-UHFFFAOYSA-N 1 2 320.370 3.407 50 5 DGBALO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCO2 ZINC000047265740 431908093 /nfs/dbraw/zinc/90/80/93/431908093.db2.gz ULMRDSZFGJUZOL-UHFFFAOYSA-N 1 2 320.370 3.407 50 5 DGBALO CNc1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000092729091 545849325 /nfs/dbraw/zinc/84/93/25/545849325.db2.gz IKHFZOYPGTYNLT-AWEZNQCLSA-N 1 2 315.377 3.087 50 5 DGBALO O=[N+]([O-])c1cccnc1N1CCC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000014309248 296517182 /nfs/dbraw/zinc/51/71/82/296517182.db2.gz WVULSWHSSGMZOI-GFCCVEGCSA-N 1 2 323.356 3.250 50 5 DGBALO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2c2cccnc2)ccc1O ZINC000005033028 400086049 /nfs/dbraw/zinc/08/60/49/400086049.db2.gz LHEBYXWGXVRHGX-OAHLLOKOSA-N 1 2 313.357 3.423 50 5 DGBALO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2c2cccnc2)ccc1O ZINC000005033028 400086053 /nfs/dbraw/zinc/08/60/53/400086053.db2.gz LHEBYXWGXVRHGX-OAHLLOKOSA-N 1 2 313.357 3.423 50 5 DGBALO O=[N+]([O-])c1ccccc1SNCc1cn2ccccc2[nH+]1 ZINC000005387553 400087567 /nfs/dbraw/zinc/08/75/67/400087567.db2.gz MUZOBUSDUINBSP-UHFFFAOYSA-N 1 2 300.343 3.039 50 5 DGBALO COCCn1c(C)c(C)c2c1nc(C)n1c3ccccc3[nH+]c21 ZINC000006665436 181367105 /nfs/dbraw/zinc/36/71/05/181367105.db2.gz NYKPIKWMPMUAKH-UHFFFAOYSA-N 1 2 308.385 3.409 50 5 DGBALO CC[N@H+](Cc1ccccc1)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000016662984 182056880 /nfs/dbraw/zinc/05/68/80/182056880.db2.gz NQAMQRBHZJPAHU-UHFFFAOYSA-N 1 2 316.357 3.331 50 5 DGBALO CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(O)c([N+](=O)[O-])c1 ZINC000016662984 182056881 /nfs/dbraw/zinc/05/68/81/182056881.db2.gz NQAMQRBHZJPAHU-UHFFFAOYSA-N 1 2 316.357 3.331 50 5 DGBALO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000043425336 183361989 /nfs/dbraw/zinc/36/19/89/183361989.db2.gz WKSWVRWYGZFDGW-DZGCQCFKSA-N 1 2 310.781 3.392 50 5 DGBALO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)ccc1Cl ZINC000043425336 183361991 /nfs/dbraw/zinc/36/19/91/183361991.db2.gz WKSWVRWYGZFDGW-DZGCQCFKSA-N 1 2 310.781 3.392 50 5 DGBALO Cc1cc2[nH+]cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2cc1C ZINC000007785992 292026382 /nfs/dbraw/zinc/02/63/82/292026382.db2.gz OXDXTZXTCRTSTH-UHFFFAOYSA-N 1 2 312.285 3.459 50 5 DGBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccco3)CC2)c(Cl)c1 ZINC000008780267 431415779 /nfs/dbraw/zinc/41/57/79/431415779.db2.gz VLGCRZHGAQYMNT-UHFFFAOYSA-N 1 2 321.764 3.163 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@H]([N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000012954263 431538093 /nfs/dbraw/zinc/53/80/93/431538093.db2.gz KXNOTNFTDYFDHS-OZVIIMIRSA-N 1 2 320.389 3.225 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@H]([N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000012954263 431538102 /nfs/dbraw/zinc/53/81/02/431538102.db2.gz KXNOTNFTDYFDHS-OZVIIMIRSA-N 1 2 320.389 3.225 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000022078436 400198158 /nfs/dbraw/zinc/19/81/58/400198158.db2.gz XYWWRVKWYFXXJC-INIZCTEOSA-N 1 2 313.357 3.423 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000022078436 400198162 /nfs/dbraw/zinc/19/81/62/400198162.db2.gz XYWWRVKWYFXXJC-INIZCTEOSA-N 1 2 313.357 3.423 50 5 DGBALO O=[N+]([O-])c1c(F)cccc1NCc1ccc(N2CCCC2)[nH+]c1 ZINC000057137689 400974044 /nfs/dbraw/zinc/97/40/44/400974044.db2.gz MUFBEKGUFYNCSA-UHFFFAOYSA-N 1 2 316.336 3.341 50 5 DGBALO COc1cccc2c1oc(=O)c1c(N)[nH+]c3c(c21)C[C@@H](C)CC3 ZINC000000054530 431117481 /nfs/dbraw/zinc/11/74/81/431117481.db2.gz UIZDRDNLLBBVDN-VIFPVBQESA-N 1 2 310.353 3.057 50 5 biogenic DGBALO C[NH+]1CCN(c2cc3ccccc3c(=O)c3ccccc32)CC1 ZINC000000346738 431167067 /nfs/dbraw/zinc/16/70/67/431167067.db2.gz KOHBEDGHTZPTIB-UHFFFAOYSA-N 1 2 304.393 3.105 50 5 DGBALO O=[N+]([O-])c1cccnc1NCCNc1ccc2ccccc2[nH+]1 ZINC000058413277 184114692 /nfs/dbraw/zinc/11/46/92/184114692.db2.gz CZYNKMPNJZQYAH-UHFFFAOYSA-N 1 2 309.329 3.062 50 5 DGBALO O=[N+]([O-])c1ccc(NCCNc2ccc3ccccc3[nH+]2)nc1 ZINC000058440934 184118816 /nfs/dbraw/zinc/11/88/16/184118816.db2.gz HNWDOVCQDOUEJF-UHFFFAOYSA-N 1 2 309.329 3.062 50 5 DGBALO O=[N+]([O-])c1cc(F)ccc1NCCc1[nH]c2ccccc2[nH+]1 ZINC000007128877 431336045 /nfs/dbraw/zinc/33/60/45/431336045.db2.gz STSXHIRFNOTLDE-UHFFFAOYSA-N 1 2 300.293 3.265 50 5 DGBALO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000230119957 280357631 /nfs/dbraw/zinc/35/76/31/280357631.db2.gz WKSWVRWYGZFDGW-UKRRQHHQSA-N 1 2 310.781 3.392 50 5 DGBALO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1Cl ZINC000230119957 280357632 /nfs/dbraw/zinc/35/76/32/280357632.db2.gz WKSWVRWYGZFDGW-UKRRQHHQSA-N 1 2 310.781 3.392 50 5 DGBALO Cc1ccccc1NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000008778628 545649437 /nfs/dbraw/zinc/64/94/37/545649437.db2.gz HYGGTHBZNLSQGG-UHFFFAOYSA-N 1 2 322.324 3.341 50 5 DGBALO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nccs1 ZINC000072662643 191209743 /nfs/dbraw/zinc/20/97/43/191209743.db2.gz UPNADVCMXHSZHM-UHFFFAOYSA-N 1 2 307.375 3.085 50 5 DGBALO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCn1cc[nH+]c1 ZINC000004300341 181094121 /nfs/dbraw/zinc/09/41/21/181094121.db2.gz DTWYXMBWTASCTF-UHFFFAOYSA-N 1 2 314.267 3.312 50 5 DGBALO Cc1ccc2[nH+]c(COc3cc(F)ccc3[N+](=O)[O-])cn2c1 ZINC000008232006 431388655 /nfs/dbraw/zinc/38/86/55/431388655.db2.gz SLITUPWYOGJHNZ-UHFFFAOYSA-N 1 2 301.277 3.269 50 5 DGBALO O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000252507293 432382105 /nfs/dbraw/zinc/38/21/05/432382105.db2.gz WGIKAFVDUQLIDO-GFCCVEGCSA-N 1 2 306.753 3.114 50 5 DGBALO COC(=O)c1ccoc1C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024864759 431643526 /nfs/dbraw/zinc/64/35/26/431643526.db2.gz VQAGUOHVROICOO-NSHDSACASA-N 1 2 318.329 3.167 50 5 DGBALO COC(=O)c1ccoc1C[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024864759 431643532 /nfs/dbraw/zinc/64/35/32/431643532.db2.gz VQAGUOHVROICOO-NSHDSACASA-N 1 2 318.329 3.167 50 5 DGBALO C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000078569551 431683663 /nfs/dbraw/zinc/68/36/63/431683663.db2.gz LEVZXVHFQVPXEH-GFCCVEGCSA-N 1 2 309.329 3.349 50 5 DGBALO C[C@@H](Sc1[nH+]cnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000089905365 431884947 /nfs/dbraw/zinc/88/49/47/431884947.db2.gz LKUSMOKCJBTHEW-SECBINFHSA-N 1 2 315.358 3.125 50 5 DGBALO CCOC(=O)[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000055292332 431979069 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COc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1O ZINC000229911991 432722726 /nfs/dbraw/zinc/72/27/26/432722726.db2.gz JSPMAJLMBMBAHE-UONOGXRCSA-N 1 2 320.389 3.464 50 5 DGBALO COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1O ZINC000229911991 432722729 /nfs/dbraw/zinc/72/27/29/432722729.db2.gz JSPMAJLMBMBAHE-UONOGXRCSA-N 1 2 320.389 3.464 50 5 DGBALO O=[N+]([O-])c1cc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)ccc1Cl ZINC000230119964 432724864 /nfs/dbraw/zinc/72/48/64/432724864.db2.gz WKSWVRWYGZFDGW-HIFRSBDPSA-N 1 2 310.781 3.392 50 5 DGBALO O=[N+]([O-])c1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)ccc1Cl ZINC000230119964 432724867 /nfs/dbraw/zinc/72/48/67/432724867.db2.gz WKSWVRWYGZFDGW-HIFRSBDPSA-N 1 2 310.781 3.392 50 5 DGBALO COC(=O)c1ccoc1C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024864764 182393735 /nfs/dbraw/zinc/39/37/35/182393735.db2.gz VQAGUOHVROICOO-LLVKDONJSA-N 1 2 318.329 3.167 50 5 DGBALO COC(=O)c1ccoc1C[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000024864764 182393737 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O=[N+]([O-])c1ccc(F)cc1CN1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000096478039 431953246 /nfs/dbraw/zinc/95/32/46/431953246.db2.gz YCZRQMPLJPNMTK-AWEZNQCLSA-N 1 2 304.325 3.184 50 5 DGBALO Cc1cc([N+](=O)[O-])cnc1NCc1cccc(-c2[nH]cc[nH+]2)c1 ZINC000095460521 185370553 /nfs/dbraw/zinc/37/05/53/185370553.db2.gz YMGHXKSOSNFBFC-UHFFFAOYSA-N 1 2 309.329 3.300 50 5 DGBALO Cc1cc(NCc2cccc(-n3cc[nH+]c3)c2)ncc1[N+](=O)[O-] ZINC000074763818 191356464 /nfs/dbraw/zinc/35/64/64/191356464.db2.gz HEQBQMGSPATAET-UHFFFAOYSA-N 1 2 309.329 3.096 50 5 DGBALO Cc1ccn2cc(CNc3ccc([N+](=O)[O-])cc3F)[nH+]c2c1 ZINC000058157052 184081635 /nfs/dbraw/zinc/08/16/35/184081635.db2.gz MORPLEKERQELAJ-UHFFFAOYSA-N 1 2 300.293 3.302 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000093689883 400253874 /nfs/dbraw/zinc/25/38/74/400253874.db2.gz LVNVKKGPPGKLRY-GJZGRUSLSA-N 1 2 308.403 3.160 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000093689883 400253879 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CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095430635 185362889 /nfs/dbraw/zinc/36/28/89/185362889.db2.gz NRZFSEYELMEFBI-LBPRGKRZSA-N 1 2 317.345 3.037 50 5 DGBALO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000095430635 185362890 /nfs/dbraw/zinc/36/28/90/185362890.db2.gz NRZFSEYELMEFBI-LBPRGKRZSA-N 1 2 317.345 3.037 50 5 DGBALO O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000095464220 185371405 /nfs/dbraw/zinc/37/14/05/185371405.db2.gz VHAGGTFHHZJQMQ-UHFFFAOYSA-N 1 2 322.324 3.092 50 5 DGBALO Cc1noc(C)c1C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000095469905 185372567 /nfs/dbraw/zinc/37/25/67/185372567.db2.gz FDZYXUKBZVIYCV-UHFFFAOYSA-N 1 2 309.753 3.485 50 5 DGBALO Cc1noc(C)c1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000095469905 185372568 /nfs/dbraw/zinc/37/25/68/185372568.db2.gz FDZYXUKBZVIYCV-UHFFFAOYSA-N 1 2 309.753 3.485 50 5 DGBALO CCc1[nH+]c2ccccc2n1CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000036783882 431841209 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C[C@@H](c1cccnc1)[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000093234944 193219560 /nfs/dbraw/zinc/21/95/60/193219560.db2.gz ZCRSXCVAVMLPCI-NSHDSACASA-N 1 2 312.329 3.324 50 5 DGBALO O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1 ZINC000039338927 183017144 /nfs/dbraw/zinc/01/71/44/183017144.db2.gz ADFZTBORRYKAEF-UHFFFAOYSA-N 1 2 308.297 3.033 50 5 DGBALO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3ccccc23)ccc1O ZINC000057801049 184053637 /nfs/dbraw/zinc/05/36/37/184053637.db2.gz FQRBHJISJAWEHH-UHFFFAOYSA-N 1 2 311.341 3.114 50 5 DGBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000000207693 431145480 /nfs/dbraw/zinc/14/54/80/431145480.db2.gz CWKDJIZLRFMCGP-UHFFFAOYSA-N 1 2 321.764 3.163 50 5 DGBALO O=[N+]([O-])c1ccc(N2CCC[C@@H](c3[nH]c4ccccc4[nH+]3)C2)nc1 ZINC000012525060 431513769 /nfs/dbraw/zinc/51/37/69/431513769.db2.gz VCISVSCQIFADAU-GFCCVEGCSA-N 1 2 323.356 3.250 50 5 DGBALO Cc1nn(C[N@H+]2CC=C(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000025500209 431658300 /nfs/dbraw/zinc/65/83/00/431658300.db2.gz HZRNXJACQLCCPB-UHFFFAOYSA-N 1 2 312.373 3.155 50 5 DGBALO Cc1nn(C[N@@H+]2CC=C(c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000025500209 431658305 /nfs/dbraw/zinc/65/83/05/431658305.db2.gz HZRNXJACQLCCPB-UHFFFAOYSA-N 1 2 312.373 3.155 50 5 DGBALO CC[N@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000030274703 431734960 /nfs/dbraw/zinc/73/49/60/431734960.db2.gz ZKXCEQVFAYQKSS-UHFFFAOYSA-N 1 2 318.329 3.076 50 5 DGBALO CC[N@@H+](Cc1ccco1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000030274703 431734966 /nfs/dbraw/zinc/73/49/66/431734966.db2.gz ZKXCEQVFAYQKSS-UHFFFAOYSA-N 1 2 318.329 3.076 50 5 DGBALO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2[nH]cc[nH+]2)c(F)c1 ZINC000095422792 431925028 /nfs/dbraw/zinc/92/50/28/431925028.db2.gz BEDFLBVYIOIOSJ-AWEZNQCLSA-N 1 2 304.325 3.184 50 5 DGBALO Cc1cc(C(=O)Nc2ccccc2-n2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000045859945 431890306 /nfs/dbraw/zinc/89/03/06/431890306.db2.gz RVNMFEINWFGYQY-UHFFFAOYSA-N 1 2 322.324 3.341 50 5 DGBALO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000096425027 431948304 /nfs/dbraw/zinc/94/83/04/431948304.db2.gz PYRLVZCUUWJPQK-UHFFFAOYSA-N 1 2 322.324 3.341 50 5 DGBALO Cc1ccc([N+](=O)[O-])c(Sc2nnc(C[NH+]3CCCC3)o2)c1 ZINC000095410401 185357170 /nfs/dbraw/zinc/35/71/70/185357170.db2.gz YWYHXQXTWVCYGW-UHFFFAOYSA-N 1 2 320.374 3.033 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@@H]([NH+]1C[C@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000104054946 432014005 /nfs/dbraw/zinc/01/40/05/432014005.db2.gz KXNOTNFTDYFDHS-MQIPJXDCSA-N 1 2 320.389 3.225 50 5 DGBALO CC(=O)c1ccc(NCc2cn3ccc(C)cc3[nH+]2)c([N+](=O)[O-])c1 ZINC000058169246 184083826 /nfs/dbraw/zinc/08/38/26/184083826.db2.gz LRXCLZGWBWBWKG-UHFFFAOYSA-N 1 2 324.340 3.366 50 5 DGBALO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000078570120 431682266 /nfs/dbraw/zinc/68/22/66/431682266.db2.gz MYVOUCBZEFSXLI-GFCCVEGCSA-N 1 2 309.329 3.349 50 5 DGBALO Cc1ccc(NCc2ccnc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1 ZINC000095436061 185364785 /nfs/dbraw/zinc/36/47/85/185364785.db2.gz BLMMNNNORSHXJT-UHFFFAOYSA-N 1 2 309.329 3.096 50 5 DGBALO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000069453299 431186517 /nfs/dbraw/zinc/18/65/17/431186517.db2.gz NMDYRJHZYBCYIY-UHFFFAOYSA-N 1 2 322.324 3.341 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@@H]([N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000012954268 431538738 /nfs/dbraw/zinc/53/87/38/431538738.db2.gz KXNOTNFTDYFDHS-BFQNTYOBSA-N 1 2 320.389 3.225 50 5 DGBALO Cc1ccc([N+](=O)[O-])c2c1[C@@H]([N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)O2 ZINC000012954268 431538744 /nfs/dbraw/zinc/53/87/44/431538744.db2.gz KXNOTNFTDYFDHS-BFQNTYOBSA-N 1 2 320.389 3.225 50 5 DGBALO C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000032825145 431792443 /nfs/dbraw/zinc/79/24/43/431792443.db2.gz ZNLNVMYZSQCBLH-UHFFFAOYSA-N 1 2 324.340 3.277 50 5 DGBALO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)Cc1ccccc1 ZINC000032825145 431792448 /nfs/dbraw/zinc/79/24/48/431792448.db2.gz ZNLNVMYZSQCBLH-UHFFFAOYSA-N 1 2 324.340 3.277 50 5 DGBALO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000055543873 431983802 /nfs/dbraw/zinc/98/38/02/431983802.db2.gz UJGMBRBSUBTKAX-UHFFFAOYSA-N 1 2 315.348 3.056 50 5 DGBALO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000095982610 278212297 /nfs/dbraw/zinc/21/22/97/278212297.db2.gz AMCUCGTZACPXDX-UHFFFAOYSA-N 1 2 313.357 3.185 50 5 DGBALO CC(=O)Nc1ccccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000095982610 278212299 /nfs/dbraw/zinc/21/22/99/278212299.db2.gz AMCUCGTZACPXDX-UHFFFAOYSA-N 1 2 313.357 3.185 50 5 DGBALO CC(=O)c1cc(NCCCNc2cccc[nH+]2)ccc1[N+](=O)[O-] ZINC000225817604 432699202 /nfs/dbraw/zinc/69/92/02/432699202.db2.gz BKENHOOTZOLKFR-UHFFFAOYSA-N 1 2 314.345 3.107 50 5 DGBALO Cn1c([N+](=O)[O-])cnc1C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000097166028 332193819 /nfs/dbraw/zinc/19/38/19/332193819.db2.gz JSKVSGWWYGQGOX-UHFFFAOYSA-N 1 2 310.357 3.114 50 5 DGBALO Cn1c([N+](=O)[O-])cnc1C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000097166028 332193820 /nfs/dbraw/zinc/19/38/20/332193820.db2.gz JSKVSGWWYGQGOX-UHFFFAOYSA-N 1 2 310.357 3.114 50 5 DGBALO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005860468 181290552 /nfs/dbraw/zinc/29/05/52/181290552.db2.gz DWBHKPRKGUWKCX-JTQLQIEISA-N 1 2 311.769 3.061 50 5 DGBALO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000005860468 181290553 /nfs/dbraw/zinc/29/05/53/181290553.db2.gz DWBHKPRKGUWKCX-JTQLQIEISA-N 1 2 311.769 3.061 50 5 DGBALO Cc1cn2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH+]1 ZINC000069443525 184515330 /nfs/dbraw/zinc/51/53/30/184515330.db2.gz HCYQIMLGOSOMAR-UHFFFAOYSA-N 1 2 310.313 3.112 50 5 DGBALO Cc1c[nH+]ccc1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000071885876 431306913 /nfs/dbraw/zinc/30/69/13/431306913.db2.gz LLBRMRYRKSXSEM-LLVKDONJSA-N 1 2 317.370 3.418 50 5 DGBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccsc1 ZINC000007926969 431371164 /nfs/dbraw/zinc/37/11/64/431371164.db2.gz KGUXTNLXKDFRDN-UHFFFAOYSA-N 1 2 319.386 3.035 50 5 DGBALO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccsc1 ZINC000007926969 431371169 /nfs/dbraw/zinc/37/11/69/431371169.db2.gz KGUXTNLXKDFRDN-UHFFFAOYSA-N 1 2 319.386 3.035 50 5 DGBALO Cc1c(NC(=O)C[N@@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000012915316 431535414 /nfs/dbraw/zinc/53/54/14/431535414.db2.gz MKBRECQJAGBPKF-UHFFFAOYSA-N 1 2 319.386 3.035 50 5 DGBALO Cc1c(NC(=O)C[N@H+](C)Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000012915316 431535421 /nfs/dbraw/zinc/53/54/21/431535421.db2.gz MKBRECQJAGBPKF-UHFFFAOYSA-N 1 2 319.386 3.035 50 5 DGBALO O=[N+]([O-])c1ccc(F)cc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000093221886 285117489 /nfs/dbraw/zinc/11/74/89/285117489.db2.gz JNOIFZOBSNYOLR-UHFFFAOYSA-N 1 2 301.321 3.294 50 5 DGBALO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000093221886 285117491 /nfs/dbraw/zinc/11/74/91/285117491.db2.gz JNOIFZOBSNYOLR-UHFFFAOYSA-N 1 2 301.321 3.294 50 5 DGBALO C[NH2+]c1ccc(OC)cc1-n1cnc(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000000355591 431170481 /nfs/dbraw/zinc/17/04/81/431170481.db2.gz XXCJLBNUVJMBQA-UHFFFAOYSA-N 1 2 324.340 3.498 50 5 DGBALO C[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(N)=O ZINC000004246566 431298268 /nfs/dbraw/zinc/29/82/68/431298268.db2.gz KZFMTTRHDLDBRV-JTQLQIEISA-N 1 2 322.393 3.002 50 5 DGBALO Cc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1CC(F)(F)F ZINC000076061756 431518342 /nfs/dbraw/zinc/51/83/42/431518342.db2.gz QLJZAFZOGWTQGX-UHFFFAOYSA-N 1 2 314.267 3.274 50 5 DGBALO O=[N+]([O-])c1c(F)cccc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000057138688 431990428 /nfs/dbraw/zinc/99/04/28/431990428.db2.gz SZDWJLMMJWXWAQ-UHFFFAOYSA-N 1 2 316.336 3.210 50 5 DGBALO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364802520 257234809 /nfs/dbraw/zinc/23/48/09/257234809.db2.gz FIUZXAGXLMAFJA-UHFFFAOYSA-N 1 2 306.753 3.355 50 5 DGBALO O=[N+]([O-])c1cc(Cl)ccc1N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364802520 257234810 /nfs/dbraw/zinc/23/48/10/257234810.db2.gz FIUZXAGXLMAFJA-UHFFFAOYSA-N 1 2 306.753 3.355 50 5 DGBALO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1O ZINC000005577956 257242902 /nfs/dbraw/zinc/24/29/02/257242902.db2.gz JSPMAJLMBMBAHE-ZIAGYGMSSA-N 1 2 320.389 3.464 50 5 DGBALO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1O ZINC000005577956 257242904 /nfs/dbraw/zinc/24/29/04/257242904.db2.gz JSPMAJLMBMBAHE-ZIAGYGMSSA-N 1 2 320.389 3.464 50 5 DGBALO COc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc([N+](=O)[O-])c1O ZINC000004988765 431303899 /nfs/dbraw/zinc/30/38/99/431303899.db2.gz JSPMAJLMBMBAHE-KGLIPLIRSA-N 1 2 320.389 3.464 50 5 DGBALO Cc1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1[N+](=O)[O-] ZINC000092810774 185342799 /nfs/dbraw/zinc/34/27/99/185342799.db2.gz ZZRHBVRHAUYHDE-UHFFFAOYSA-N 1 2 300.362 3.006 50 5 DGBALO Cc1cc([N+](=O)[O-])cnc1NCc1[nH+]ccn1Cc1ccccc1 ZINC000092658148 185332193 /nfs/dbraw/zinc/33/21/93/185332193.db2.gz GAXXFTKYFRFURP-UHFFFAOYSA-N 1 2 323.356 3.155 50 5 DGBALO C[NH+](C)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005208165 181217222 /nfs/dbraw/zinc/21/72/22/181217222.db2.gz YWTOZWITTRYCTP-UHFFFAOYSA-N 1 2 302.290 3.313 50 5 DGBALO C[C@H](Sc1[nH+]cnc2c1cnn2C)c1cccc([N+](=O)[O-])c1 ZINC000089905363 431884850 /nfs/dbraw/zinc/88/48/50/431884850.db2.gz LKUSMOKCJBTHEW-VIFPVBQESA-N 1 2 315.358 3.125 50 5 DGBALO Cc1noc(C)c1C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082777 431960299 /nfs/dbraw/zinc/96/02/99/431960299.db2.gz YNXUAGTYEOIFTN-UHFFFAOYSA-N 1 2 309.753 3.485 50 5 DGBALO Cc1noc(C)c1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000097082777 431960301 /nfs/dbraw/zinc/96/03/01/431960301.db2.gz YNXUAGTYEOIFTN-UHFFFAOYSA-N 1 2 309.753 3.485 50 5 DGBALO Cc1c[nH+]ccc1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000071885877 431307416 /nfs/dbraw/zinc/30/74/16/431307416.db2.gz LLBRMRYRKSXSEM-NSHDSACASA-N 1 2 317.370 3.418 50 5 DGBALO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccccc2F)CC1 ZINC000055543372 431983436 /nfs/dbraw/zinc/98/34/36/431983436.db2.gz PNMYQLPANCWAKI-UHFFFAOYSA-N 1 2 315.348 3.056 50 5 DGBALO O=[N+]([O-])c1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1F ZINC000078903819 400833029 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COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1c1cc(C)on1 ZINC000027883737 431695946 /nfs/dbraw/zinc/69/59/46/431695946.db2.gz ZGBMDIFOMHXGPW-HNNXBMFYSA-N 1 2 317.345 3.237 50 5 DGBALO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000027883737 431695954 /nfs/dbraw/zinc/69/59/54/431695954.db2.gz ZGBMDIFOMHXGPW-HNNXBMFYSA-N 1 2 317.345 3.237 50 5 DGBALO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cccs3)CC2)s1 ZINC000048999501 431935018 /nfs/dbraw/zinc/93/50/18/431935018.db2.gz SPSWOYQSZXNHJM-UHFFFAOYSA-N 1 2 309.416 3.040 50 5 DGBALO CCOc1cccc(N2CCC(n3cc[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000097108533 431960956 /nfs/dbraw/zinc/96/09/56/431960956.db2.gz JRAYXWOEUXITFU-UHFFFAOYSA-N 1 2 316.361 3.032 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000241316861 432815830 /nfs/dbraw/zinc/81/58/30/432815830.db2.gz LVNVKKGPPGKLRY-HUUCEWRRSA-N 1 2 308.403 3.160 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000241316861 432815833 /nfs/dbraw/zinc/81/58/33/432815833.db2.gz LVNVKKGPPGKLRY-HUUCEWRRSA-N 1 2 308.403 3.160 50 5 DGBALO Cc1ccc2[nH]c(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH+]c2c1 ZINC000005322879 181229873 /nfs/dbraw/zinc/22/98/73/181229873.db2.gz UEYCPPADWNIXET-UHFFFAOYSA-N 1 2 312.285 3.279 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022078432 400198293 /nfs/dbraw/zinc/19/82/93/400198293.db2.gz XYWWRVKWYFXXJC-MRXNPFEDSA-N 1 2 313.357 3.423 50 5 DGBALO O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000022078432 400198298 /nfs/dbraw/zinc/19/82/98/400198298.db2.gz XYWWRVKWYFXXJC-MRXNPFEDSA-N 1 2 313.357 3.423 50 5 DGBALO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000058157726 431995184 /nfs/dbraw/zinc/99/51/84/431995184.db2.gz TYNXWSRQYCMJPZ-UHFFFAOYSA-N 1 2 308.297 3.237 50 5 DGBALO CNc1ccc(CN2CCCC[C@@H]2c2[nH]cc[nH+]2)cc1[N+](=O)[O-] ZINC000092729090 545850229 /nfs/dbraw/zinc/85/02/29/545850229.db2.gz IKHFZOYPGTYNLT-CQSZACIVSA-N 1 2 315.377 3.087 50 5 DGBALO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000072663068 191209670 /nfs/dbraw/zinc/20/96/70/191209670.db2.gz XOWZYKAICBWYAB-UHFFFAOYSA-N 1 2 321.402 3.393 50 5 DGBALO CCOC(=O)[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000055292333 431979737 /nfs/dbraw/zinc/97/97/37/431979737.db2.gz FRFAJJXCQRURMU-MNDMWVCDSA-N 1 2 318.373 3.026 50 5 DGBALO CCOC(=O)[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000055292333 431979739 /nfs/dbraw/zinc/97/97/39/431979739.db2.gz FRFAJJXCQRURMU-MNDMWVCDSA-N 1 2 318.373 3.026 50 5 DGBALO