smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050814123 520302707 /nfs/dbraw/zinc/30/27/07/520302707.db2.gz UDAHRXRHTAIXDA-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050814123 520302716 /nfs/dbraw/zinc/30/27/16/520302716.db2.gz UDAHRXRHTAIXDA-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792420 520304306 /nfs/dbraw/zinc/30/43/06/520304306.db2.gz DEHDVRPSIVDZAV-TXEJJXNPSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792420 520304313 /nfs/dbraw/zinc/30/43/13/520304313.db2.gz DEHDVRPSIVDZAV-TXEJJXNPSA-N 1 2 293.367 2.636 10 5 CFBELO Cc1nccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000050443569 527336962 /nfs/dbraw/zinc/33/69/62/527336962.db2.gz GYRCBJYNSMOPHJ-UHFFFAOYSA-N 1 2 292.726 2.636 10 5 CFBELO CCn1cc[nH+]c1CNc1cccc([N+](=O)[O-])c1C ZINC000051922504 373421249 /nfs/dbraw/zinc/42/12/49/373421249.db2.gz VBKLBMRABNKQRV-UHFFFAOYSA-N 1 2 260.297 2.732 10 5 CFBELO Cc1ccc2[nH+]c(COc3cccnc3[N+](=O)[O-])cn2c1 ZINC000008424973 170336114 /nfs/dbraw/zinc/33/61/14/170336114.db2.gz HKHYJRKGXKOFEF-UHFFFAOYSA-N 1 2 284.275 2.525 10 5 CFBELO CC(C)CCNc1nc[nH+]c(NNC(C)(C)C)c1[N+](=O)[O-] ZINC000040659899 174365785 /nfs/dbraw/zinc/36/57/85/174365785.db2.gz DHVFHMVULBMMBJ-UHFFFAOYSA-N 1 2 296.375 2.558 10 5 CFBELO CCCNc1ccc(Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000050818580 520165081 /nfs/dbraw/zinc/16/50/81/520165081.db2.gz YWVHKGUCSRQSEA-UHFFFAOYSA-N 1 2 260.297 2.662 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1C ZINC000050813627 520171524 /nfs/dbraw/zinc/17/15/24/520171524.db2.gz VSQYECYMWSHNPK-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1C ZINC000050813627 520171530 /nfs/dbraw/zinc/17/15/30/520171530.db2.gz VSQYECYMWSHNPK-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO C[C@@H]1CCCC[N@@H+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998363 170394013 /nfs/dbraw/zinc/39/40/13/170394013.db2.gz FHZJKUPCQSHZFC-LLVKDONJSA-N 1 2 262.309 2.652 10 5 CFBELO C[C@@H]1CCCC[N@H+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998363 170394014 /nfs/dbraw/zinc/39/40/14/170394014.db2.gz FHZJKUPCQSHZFC-LLVKDONJSA-N 1 2 262.309 2.652 10 5 CFBELO Cc1cc(-n2cc[nH+]c2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000071899434 176293673 /nfs/dbraw/zinc/29/36/73/176293673.db2.gz OQXXSWFHQCUJHM-UHFFFAOYSA-N 1 2 281.275 2.546 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000050813675 520330631 /nfs/dbraw/zinc/33/06/31/520330631.db2.gz COZPGTKFJIHURI-RYUDHWBXSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000050813675 520330632 /nfs/dbraw/zinc/33/06/32/520330632.db2.gz COZPGTKFJIHURI-RYUDHWBXSA-N 1 2 293.367 2.636 10 5 CFBELO CCc1ccc(NCc2c[nH+]c(C)[nH]2)cc1[N+](=O)[O-] ZINC000054822080 523994995 /nfs/dbraw/zinc/99/49/95/523994995.db2.gz WNFSGCBAUAUYQM-UHFFFAOYSA-N 1 2 260.297 2.801 10 5 CFBELO CCc1ccc(NCc2c[nH]c(C)[nH+]2)cc1[N+](=O)[O-] ZINC000054822080 523994999 /nfs/dbraw/zinc/99/49/99/523994999.db2.gz WNFSGCBAUAUYQM-UHFFFAOYSA-N 1 2 260.297 2.801 10 5 CFBELO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000220909659 526157964 /nfs/dbraw/zinc/15/79/64/526157964.db2.gz GIUJHVCCTDUQQI-JTQLQIEISA-N 1 2 261.281 2.742 10 5 CFBELO C[NH+](C)c1ccc(Nc2ncccc2[N+](=O)[O-])cc1 ZINC000584614784 348690886 /nfs/dbraw/zinc/69/08/86/348690886.db2.gz DLFXTRZQOADQPW-UHFFFAOYSA-N 1 2 258.281 2.799 10 5 CFBELO CC(C)n1cc[nH+]c1CN1CCc2c1cccc2[N+](=O)[O-] ZINC000178949989 189156848 /nfs/dbraw/zinc/15/68/48/189156848.db2.gz BNFMCOYBOSIJAZ-UHFFFAOYSA-N 1 2 286.335 2.935 10 5 CFBELO CC(C)n1cc[nH+]c1CN1CCc2ccc([N+](=O)[O-])cc21 ZINC000182766456 189334298 /nfs/dbraw/zinc/33/42/98/189334298.db2.gz XCNVHCZBAOHIIG-UHFFFAOYSA-N 1 2 286.335 2.935 10 5 CFBELO C[C@H]1CCC[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009996515 170393383 /nfs/dbraw/zinc/39/33/83/170393383.db2.gz ZSFXIORDDMMXQP-NSHDSACASA-N 1 2 262.309 2.509 10 5 CFBELO C[C@H]1CCC[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009996515 170393384 /nfs/dbraw/zinc/39/33/84/170393384.db2.gz ZSFXIORDDMMXQP-NSHDSACASA-N 1 2 262.309 2.509 10 5 CFBELO C[C@H]1CCCC[N@@H+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998364 170394468 /nfs/dbraw/zinc/39/44/68/170394468.db2.gz FHZJKUPCQSHZFC-NSHDSACASA-N 1 2 262.309 2.652 10 5 CFBELO C[C@H]1CCCC[N@H+]1CC(=O)c1cccc([N+](=O)[O-])c1 ZINC000009998364 170394469 /nfs/dbraw/zinc/39/44/69/170394469.db2.gz FHZJKUPCQSHZFC-NSHDSACASA-N 1 2 262.309 2.652 10 5 CFBELO CC[C@@H]([NH2+]Cc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000038034278 174032710 /nfs/dbraw/zinc/03/27/10/174032710.db2.gz AHTXLGQFXQECSN-GFCCVEGCSA-N 1 2 276.296 2.527 10 5 CFBELO O=[N+]([O-])c1cccc(/C=C2\CCC=C2[NH+]2CCOCC2)c1 ZINC000003885160 326807996 /nfs/dbraw/zinc/80/79/96/326807996.db2.gz PFGIPZGMQLOJTL-SDNWHVSQSA-N 1 2 286.331 2.988 10 5 CFBELO CCCNc1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)c[nH+]1 ZINC000050829284 520165808 /nfs/dbraw/zinc/16/58/08/520165808.db2.gz WTNNEJWUGJVODX-UHFFFAOYSA-N 1 2 289.339 2.673 10 5 CFBELO CCNc1ccc(C[N@@H+]2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000050813719 520304808 /nfs/dbraw/zinc/30/48/08/520304808.db2.gz RPVJYVVHJUKDIX-CYBMUJFWSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@H+]2CCO[C@H](CC)C2)cc1[N+](=O)[O-] ZINC000050813719 520304815 /nfs/dbraw/zinc/30/48/15/520304815.db2.gz RPVJYVVHJUKDIX-CYBMUJFWSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1cc(COc2cccc([N+](=O)[O-])c2)cc[nH+]1 ZINC000052734136 522568636 /nfs/dbraw/zinc/56/86/36/522568636.db2.gz SANZGSLXZIWCTK-UHFFFAOYSA-N 1 2 259.265 2.611 10 5 CFBELO CNc1ccc(COc2cc(C)ccc2[N+](=O)[O-])c[nH+]1 ZINC000050832180 522612487 /nfs/dbraw/zinc/61/24/87/522612487.db2.gz FRBXGMVDDNSIPH-UHFFFAOYSA-N 1 2 273.292 2.919 10 5 CFBELO CNc1ccc(COc2cc([N+](=O)[O-])ccc2OC)c[nH+]1 ZINC000050830260 522613379 /nfs/dbraw/zinc/61/33/79/522613379.db2.gz QJGNTVMWNAPAHK-UHFFFAOYSA-N 1 2 289.291 2.619 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccoc1 ZINC000050816796 522645229 /nfs/dbraw/zinc/64/52/29/522645229.db2.gz PSXOTRCBNGZQRE-UHFFFAOYSA-N 1 2 275.308 2.862 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccoc1 ZINC000050816796 522645235 /nfs/dbraw/zinc/64/52/35/522645235.db2.gz PSXOTRCBNGZQRE-UHFFFAOYSA-N 1 2 275.308 2.862 10 5 CFBELO Cc1[nH]c(CNc2cc(Cl)ccc2[N+](=O)[O-])c[nH+]1 ZINC000054821795 526896225 /nfs/dbraw/zinc/89/62/25/526896225.db2.gz JYLZUKRRIQOQSW-UHFFFAOYSA-N 1 2 266.688 2.892 10 5 CFBELO Cc1[nH]cc(CNc2cc(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC000054821795 526896229 /nfs/dbraw/zinc/89/62/29/526896229.db2.gz JYLZUKRRIQOQSW-UHFFFAOYSA-N 1 2 266.688 2.892 10 5 CFBELO Cc1[nH+]c2ccccc2n1Cc1cc([N+](=O)[O-])ccc1N ZINC000050829163 527172095 /nfs/dbraw/zinc/17/20/95/527172095.db2.gz WTNOFJIUSRITQF-UHFFFAOYSA-N 1 2 282.303 2.883 10 5 CFBELO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3ccccc32)cs1 ZINC000070070170 527331148 /nfs/dbraw/zinc/33/11/48/527331148.db2.gz QKGPXZNYIWYBJR-NSHDSACASA-N 1 2 276.317 2.880 10 5 CFBELO CCc1nnc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000181525755 189298780 /nfs/dbraw/zinc/29/87/80/189298780.db2.gz UOUBOKIYEORZGP-LBPRGKRZSA-N 1 2 290.323 2.781 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051997156 373426844 /nfs/dbraw/zinc/42/68/44/373426844.db2.gz GOEKOWAWTDGVJQ-LSDHHAIUSA-N 1 2 294.326 2.877 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000051997156 373426856 /nfs/dbraw/zinc/42/68/56/373426856.db2.gz GOEKOWAWTDGVJQ-LSDHHAIUSA-N 1 2 294.326 2.877 10 5 CFBELO CC[C@H]([NH2+]Cc1c[nH]cn1)c1cccc([N+](=O)[O-])c1 ZINC000088750750 374863032 /nfs/dbraw/zinc/86/30/32/374863032.db2.gz SSWPFVVZZRNVEO-ZDUSSCGKSA-N 1 2 260.297 2.559 10 5 CFBELO O=[N+]([O-])c1ccc(N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000267409357 190328234 /nfs/dbraw/zinc/32/82/34/190328234.db2.gz RJOUAURIMYSMPF-GFCCVEGCSA-N 1 2 290.298 2.599 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249713334 383357882 /nfs/dbraw/zinc/35/78/82/383357882.db2.gz GOEKOWAWTDGVJQ-HUUCEWRRSA-N 1 2 294.326 2.877 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249713334 383357886 /nfs/dbraw/zinc/35/78/86/383357886.db2.gz GOEKOWAWTDGVJQ-HUUCEWRRSA-N 1 2 294.326 2.877 10 5 CFBELO Cc1ccc2c(Nc3ncnc(N)c3[N+](=O)[O-])cccc2[nH+]1 ZINC000040608843 174353562 /nfs/dbraw/zinc/35/35/62/174353562.db2.gz WYVNUGHBRUXDRK-UHFFFAOYSA-N 1 2 296.290 2.567 10 5 CFBELO CCNc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813672 520304684 /nfs/dbraw/zinc/30/46/84/520304684.db2.gz YFQKLHDLPSXFRP-NWDGAFQWSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813672 520304691 /nfs/dbraw/zinc/30/46/91/520304691.db2.gz YFQKLHDLPSXFRP-NWDGAFQWSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC(C)(C)C1 ZINC000050814125 520330961 /nfs/dbraw/zinc/33/09/61/520330961.db2.gz ARXSXQXXRAKLPU-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC(C)(C)C1 ZINC000050814125 520330966 /nfs/dbraw/zinc/33/09/66/520330966.db2.gz ARXSXQXXRAKLPU-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1ccc(C[N@H+](C)Cc2cscn2)cc1[N+](=O)[O-] ZINC000050814821 522606093 /nfs/dbraw/zinc/60/60/93/522606093.db2.gz MOMJMVIFSZWNFM-UHFFFAOYSA-N 1 2 292.364 2.725 10 5 CFBELO CNc1ccc(C[N@@H+](C)Cc2cscn2)cc1[N+](=O)[O-] ZINC000050814821 522606102 /nfs/dbraw/zinc/60/61/02/522606102.db2.gz MOMJMVIFSZWNFM-UHFFFAOYSA-N 1 2 292.364 2.725 10 5 CFBELO CNc1ccc(COc2cccc(C)c2[N+](=O)[O-])c[nH+]1 ZINC000050833080 522612362 /nfs/dbraw/zinc/61/23/62/522612362.db2.gz NKLPTXSNMGNVGJ-UHFFFAOYSA-N 1 2 273.292 2.919 10 5 CFBELO O=[N+]([O-])c1cc(Br)ccc1NCc1c[nH+]c[nH]1 ZINC000054764917 527327936 /nfs/dbraw/zinc/32/79/36/527327936.db2.gz NMKFIXXEZSLZAV-UHFFFAOYSA-N 1 2 297.112 2.693 10 5 CFBELO O=[N+]([O-])c1cc(Br)ccc1NCc1c[nH]c[nH+]1 ZINC000054764917 527327940 /nfs/dbraw/zinc/32/79/40/527327940.db2.gz NMKFIXXEZSLZAV-UHFFFAOYSA-N 1 2 297.112 2.693 10 5 CFBELO Nc1ccc(C[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000050912354 527482645 /nfs/dbraw/zinc/48/26/45/527482645.db2.gz AJZRONADTNHTMG-UHFFFAOYSA-N 1 2 269.304 2.693 10 5 CFBELO CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000675057147 540643174 /nfs/dbraw/zinc/64/31/74/540643174.db2.gz WRAUHVIGDUQSDQ-UHFFFAOYSA-N 1 2 273.130 2.809 10 5 CFBELO CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000675057147 540643176 /nfs/dbraw/zinc/64/31/76/540643176.db2.gz WRAUHVIGDUQSDQ-UHFFFAOYSA-N 1 2 273.130 2.809 10 5 CFBELO CC[N@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000685948266 541455708 /nfs/dbraw/zinc/45/57/08/541455708.db2.gz FBBDNPLFLKUQRJ-UHFFFAOYSA-N 1 2 273.130 2.809 10 5 CFBELO CC[N@@H+](C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000685948266 541455710 /nfs/dbraw/zinc/45/57/10/541455710.db2.gz FBBDNPLFLKUQRJ-UHFFFAOYSA-N 1 2 273.130 2.809 10 5 CFBELO O=[N+]([O-])c1ccc([C@H](O)Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021952911 171340714 /nfs/dbraw/zinc/34/07/14/171340714.db2.gz HYLKBRDOGKARCV-CQSZACIVSA-N 1 2 283.287 2.747 10 5 CFBELO CCNc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792421 520303050 /nfs/dbraw/zinc/30/30/50/520303050.db2.gz DEHDVRPSIVDZAV-VXGBXAGGSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000050792428 520330803 /nfs/dbraw/zinc/33/08/03/520330803.db2.gz PDLPXZPYHWSWBX-RYUDHWBXSA-N 1 2 293.367 2.636 10 5 CFBELO Cc1nc(-c2ccccc2[N+](=O)[O-])[nH+]c(NN)c1C(C)C ZINC000061689038 526609214 /nfs/dbraw/zinc/60/92/14/526609214.db2.gz NQCYKOBPIOZBRB-UHFFFAOYSA-N 1 2 287.323 2.769 10 5 CFBELO CCc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](C)CC1 ZINC000226316014 136386988 /nfs/dbraw/zinc/38/69/88/136386988.db2.gz URCGSXCUDSPENJ-UHFFFAOYSA-N 1 2 283.759 2.562 10 5 CFBELO CC[C@H]([NH2+]Cc1nnc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000181550178 393497976 /nfs/dbraw/zinc/49/79/76/393497976.db2.gz SKBBZEQQOUORCV-LBPRGKRZSA-N 1 2 276.296 2.527 10 5 CFBELO CCNc1ccc(C[N@@H+]2CCOC[C@H]2CC)cc1[N+](=O)[O-] ZINC000050814192 520303131 /nfs/dbraw/zinc/30/31/31/520303131.db2.gz IROIYAYVJGGYJZ-CYBMUJFWSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@H+]2CCOC[C@H]2CC)cc1[N+](=O)[O-] ZINC000050814192 520303140 /nfs/dbraw/zinc/30/31/40/520303140.db2.gz IROIYAYVJGGYJZ-CYBMUJFWSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1cc(COc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000052734115 522568322 /nfs/dbraw/zinc/56/83/22/522568322.db2.gz HUWADNILFORXSR-UHFFFAOYSA-N 1 2 259.265 2.611 10 5 CFBELO Cc1ccc(N[C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000061700968 525317306 /nfs/dbraw/zinc/31/73/06/525317306.db2.gz WBBBAUFIUORRFE-LLVKDONJSA-N 1 2 260.297 2.600 10 5 CFBELO O=[N+]([O-])c1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)cs1 ZINC000160549058 527330055 /nfs/dbraw/zinc/33/00/55/527330055.db2.gz CCBRLLLJIZZWJD-UHFFFAOYSA-N 1 2 292.364 2.759 10 5 CFBELO Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000126973667 187273711 /nfs/dbraw/zinc/27/37/11/187273711.db2.gz CVWBOLOFHNXZNZ-RYUDHWBXSA-N 1 2 264.325 2.512 10 5 CFBELO O=[N+]([O-])c1ccccc1N1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195513648 285164103 /nfs/dbraw/zinc/16/41/03/285164103.db2.gz GQMHLEAFNMJYJT-ZDUSSCGKSA-N 1 2 298.346 2.928 10 5 CFBELO CCC[C@H]([NH2+]Cc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000038034215 174032661 /nfs/dbraw/zinc/03/26/61/174032661.db2.gz KSZWNBMDKDAGDL-ZDUSSCGKSA-N 1 2 290.323 2.917 10 5 CFBELO [NH3+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000035381225 172163107 /nfs/dbraw/zinc/16/31/07/172163107.db2.gz CSXDWBMMHDBARL-SECBINFHSA-N 1 2 258.686 2.951 10 5 CFBELO Cc1ccc(Oc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040659829 174366048 /nfs/dbraw/zinc/36/60/48/174366048.db2.gz VUGSYCFIQANREF-UHFFFAOYSA-N 1 2 297.274 2.671 10 5 CFBELO CCNc1ccc(C[N@H+]2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000050813720 520304412 /nfs/dbraw/zinc/30/44/12/520304412.db2.gz RPVJYVVHJUKDIX-ZDUSSCGKSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@@H+]2CCO[C@@H](CC)C2)cc1[N+](=O)[O-] ZINC000050813720 520304403 /nfs/dbraw/zinc/30/44/03/520304403.db2.gz RPVJYVVHJUKDIX-ZDUSSCGKSA-N 1 2 293.367 2.637 10 5 CFBELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817356 523344421 /nfs/dbraw/zinc/34/44/21/523344421.db2.gz UNWOBMRKKZUSBO-AAEUAGOBSA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817356 523344428 /nfs/dbraw/zinc/34/44/28/523344428.db2.gz UNWOBMRKKZUSBO-AAEUAGOBSA-N 1 2 293.367 2.636 10 5 CFBELO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000171685901 524607692 /nfs/dbraw/zinc/60/76/92/524607692.db2.gz SWSWLVVTKWIPMQ-VIFPVBQESA-N 1 2 270.329 2.671 10 5 CFBELO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000171685901 524607703 /nfs/dbraw/zinc/60/77/03/524607703.db2.gz SWSWLVVTKWIPMQ-VIFPVBQESA-N 1 2 270.329 2.671 10 5 CFBELO O=[N+]([O-])c1cc(NCc2[nH]cc[nH+]2)ccc1Cl ZINC000049715172 527338410 /nfs/dbraw/zinc/33/84/10/527338410.db2.gz MHBTVFCQHNVBFX-UHFFFAOYSA-N 1 2 252.661 2.583 10 5 CFBELO Nc1ccc([N+](=O)[O-])cc1C[N@H+](Cc1ccco1)C1CC1 ZINC000050817822 527504375 /nfs/dbraw/zinc/50/43/75/527504375.db2.gz JYAFPGPIWWMSSY-UHFFFAOYSA-N 1 2 287.319 2.935 10 5 CFBELO Nc1ccc([N+](=O)[O-])cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC000050817822 527504379 /nfs/dbraw/zinc/50/43/79/527504379.db2.gz JYAFPGPIWWMSSY-UHFFFAOYSA-N 1 2 287.319 2.935 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051997154 373426932 /nfs/dbraw/zinc/42/69/32/373426932.db2.gz GOEKOWAWTDGVJQ-GJZGRUSLSA-N 1 2 294.326 2.877 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000051997154 373426936 /nfs/dbraw/zinc/42/69/36/373426936.db2.gz GOEKOWAWTDGVJQ-GJZGRUSLSA-N 1 2 294.326 2.877 10 5 CFBELO C[NH2+][C@H](c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1F ZINC000035491494 172225802 /nfs/dbraw/zinc/22/58/02/172225802.db2.gz VXOHVXJTWHQHIC-LBPRGKRZSA-N 1 2 268.219 2.775 10 5 CFBELO C[C@@H]1OCC[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413214757 279053106 /nfs/dbraw/zinc/05/31/06/279053106.db2.gz MTVWTIUENKOAKV-TVQRCGJNSA-N 1 2 273.292 2.732 10 5 CFBELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817354 523351782 /nfs/dbraw/zinc/35/17/82/523351782.db2.gz UNWOBMRKKZUSBO-YPMHNXCESA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817354 523351787 /nfs/dbraw/zinc/35/17/87/523351787.db2.gz UNWOBMRKKZUSBO-YPMHNXCESA-N 1 2 293.367 2.636 10 5 CFBELO Nc1cccc2c1CC[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000038032732 174030148 /nfs/dbraw/zinc/03/01/48/174030148.db2.gz RRVDYDFWIAAQFN-UHFFFAOYSA-N 1 2 289.360 2.797 10 5 CFBELO Nc1cccc2c1CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000038032732 174030150 /nfs/dbraw/zinc/03/01/50/174030150.db2.gz RRVDYDFWIAAQFN-UHFFFAOYSA-N 1 2 289.360 2.797 10 5 CFBELO CC[C@H]([NH2+]Cc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000038034277 174032863 /nfs/dbraw/zinc/03/28/63/174032863.db2.gz AHTXLGQFXQECSN-LBPRGKRZSA-N 1 2 276.296 2.527 10 5 CFBELO Cc1ccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])cc1 ZINC000040649038 174364933 /nfs/dbraw/zinc/36/49/33/174364933.db2.gz FEUFDNMKTFQGLZ-UHFFFAOYSA-N 1 2 296.290 2.623 10 5 CFBELO C[C@H]1OCC[C@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413214755 280068504 /nfs/dbraw/zinc/06/85/04/280068504.db2.gz MTVWTIUENKOAKV-NOZJJQNGSA-N 1 2 273.292 2.732 10 5 CFBELO CCNc1ccc(C[N@@H+]2CCOC[C@@H]2CC)cc1[N+](=O)[O-] ZINC000050814193 520304573 /nfs/dbraw/zinc/30/45/73/520304573.db2.gz IROIYAYVJGGYJZ-ZDUSSCGKSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@H+]2CCOC[C@@H]2CC)cc1[N+](=O)[O-] ZINC000050814193 520304578 /nfs/dbraw/zinc/30/45/78/520304578.db2.gz IROIYAYVJGGYJZ-ZDUSSCGKSA-N 1 2 293.367 2.637 10 5 CFBELO CCCc1cc(N)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000050845600 521366601 /nfs/dbraw/zinc/36/66/01/521366601.db2.gz REUKHYUBHAWOIN-UHFFFAOYSA-N 1 2 258.281 2.587 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000050816337 522648159 /nfs/dbraw/zinc/64/81/59/522648159.db2.gz LBIQJAFTGDSJKT-NSHDSACASA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000050816337 522648164 /nfs/dbraw/zinc/64/81/64/522648164.db2.gz LBIQJAFTGDSJKT-NSHDSACASA-N 1 2 293.367 2.636 10 5 CFBELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000220913743 526126377 /nfs/dbraw/zinc/12/63/77/526126377.db2.gz MPOHPBDBBSFYHK-SNVBAGLBSA-N 1 2 261.281 2.742 10 5 CFBELO Cc1cnc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC000220913801 526159470 /nfs/dbraw/zinc/15/94/70/526159470.db2.gz MPOHPBDBBSFYHK-JTQLQIEISA-N 1 2 261.281 2.742 10 5 CFBELO Nc1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])c[nH+]1 ZINC000050832125 527483853 /nfs/dbraw/zinc/48/38/53/527483853.db2.gz DYMKZOOYMZFFTQ-UHFFFAOYSA-N 1 2 279.683 2.804 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000050813724 520330905 /nfs/dbraw/zinc/33/09/05/520330905.db2.gz IKAUJKHZQRZPPP-AWEZNQCLSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000050813724 520330913 /nfs/dbraw/zinc/33/09/13/520330913.db2.gz IKAUJKHZQRZPPP-AWEZNQCLSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1cc(COc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000052734101 522567209 /nfs/dbraw/zinc/56/72/09/522567209.db2.gz YVLWODNPBCVITI-UHFFFAOYSA-N 1 2 259.265 2.611 10 5 CFBELO CCc1c(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)nc1N ZINC000050845287 523708167 /nfs/dbraw/zinc/70/81/67/523708167.db2.gz BPXPUYNYCQYGPK-UHFFFAOYSA-N 1 2 258.281 2.505 10 5 CFBELO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000160539472 527400203 /nfs/dbraw/zinc/40/02/03/527400203.db2.gz CJVKVIRBVUOZDY-UHFFFAOYSA-N 1 2 286.335 2.698 10 5 CFBELO Cc1[nH+]c(-c2ccccc2)[nH]c1CC(C)(C)[N+](=O)[O-] ZINC000116170636 347784990 /nfs/dbraw/zinc/78/49/90/347784990.db2.gz TXZWTBWOSYUGPN-UHFFFAOYSA-N 1 2 259.309 2.983 10 5 CFBELO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000267364740 384370490 /nfs/dbraw/zinc/37/04/90/384370490.db2.gz ISTLNHSWVTWCRF-LBPRGKRZSA-N 1 2 290.298 2.599 10 5 CFBELO CC(C)c1[nH+]ccn1-c1ccc([N+](=O)[O-])cc1C=O ZINC000040176585 174201546 /nfs/dbraw/zinc/20/15/46/174201546.db2.gz KNGVGYMVYKBJNF-UHFFFAOYSA-N 1 2 259.265 2.716 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccccn1 ZINC000050813822 522644297 /nfs/dbraw/zinc/64/42/97/522644297.db2.gz LTTLQXKXACPWIL-UHFFFAOYSA-N 1 2 286.335 2.664 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccccn1 ZINC000050813822 522644302 /nfs/dbraw/zinc/64/43/02/522644302.db2.gz LTTLQXKXACPWIL-UHFFFAOYSA-N 1 2 286.335 2.664 10 5 CFBELO Cc1nc(C[N@@H+](C)Cc2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000050816002 526840812 /nfs/dbraw/zinc/84/08/12/526840812.db2.gz WSGBFJGBHKRSLA-UHFFFAOYSA-N 1 2 292.364 2.574 10 5 CFBELO Cc1nc(C[N@H+](C)Cc2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000050816002 526840815 /nfs/dbraw/zinc/84/08/15/526840815.db2.gz WSGBFJGBHKRSLA-UHFFFAOYSA-N 1 2 292.364 2.574 10 5 CFBELO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]Cc1ccccn1 ZINC000050443227 527334535 /nfs/dbraw/zinc/33/45/35/527334535.db2.gz NODHZPRDYBAMAU-UHFFFAOYSA-N 1 2 277.711 2.933 10 5 CFBELO CC(C)n1cc[nH+]c1CNc1cccc([N+](=O)[O-])c1 ZINC000123599593 187100701 /nfs/dbraw/zinc/10/07/01/187100701.db2.gz WLKWSNNUCYGBRU-UHFFFAOYSA-N 1 2 260.297 2.984 10 5 CFBELO CC(C)c1[nH+]ccn1-c1ccc(C=O)cc1[N+](=O)[O-] ZINC000040176584 174201523 /nfs/dbraw/zinc/20/15/23/174201523.db2.gz BDOOYPRMZAACJX-UHFFFAOYSA-N 1 2 259.265 2.716 10 5 CFBELO CCCC1CC[NH+](CC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000050894259 519900748 /nfs/dbraw/zinc/90/07/48/519900748.db2.gz MRFFSWWDAKLTLO-UHFFFAOYSA-N 1 2 279.340 2.618 10 5 CFBELO CCNc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813671 520304187 /nfs/dbraw/zinc/30/41/87/520304187.db2.gz YFQKLHDLPSXFRP-RYUDHWBXSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813671 520304197 /nfs/dbraw/zinc/30/41/97/520304197.db2.gz YFQKLHDLPSXFRP-RYUDHWBXSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792422 520304763 /nfs/dbraw/zinc/30/47/63/520304763.db2.gz DEHDVRPSIVDZAV-RYUDHWBXSA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050816334 522610552 /nfs/dbraw/zinc/61/05/52/522610552.db2.gz WANRAVQFNIQBDM-LLVKDONJSA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050816334 522610560 /nfs/dbraw/zinc/61/05/60/522610560.db2.gz WANRAVQFNIQBDM-LLVKDONJSA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc(COc2cccc([N+](=O)[O-])c2C)c[nH+]1 ZINC000050833089 522612564 /nfs/dbraw/zinc/61/25/64/522612564.db2.gz JPNXJHQBLGLERF-UHFFFAOYSA-N 1 2 273.292 2.919 10 5 CFBELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817357 523517641 /nfs/dbraw/zinc/51/76/41/523517641.db2.gz LLGQLUVPEQSPIR-DGCLKSJQSA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817357 523517648 /nfs/dbraw/zinc/51/76/48/523517648.db2.gz LLGQLUVPEQSPIR-DGCLKSJQSA-N 1 2 293.367 2.636 10 5 CFBELO CCc1cc(NC)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000050850819 523820563 /nfs/dbraw/zinc/82/05/63/523820563.db2.gz AMMSXGUBFLXMRO-UHFFFAOYSA-N 1 2 258.281 2.656 10 5 CFBELO Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000126973429 187274023 /nfs/dbraw/zinc/27/40/23/187274023.db2.gz CVWBOLOFHNXZNZ-VXGBXAGGSA-N 1 2 264.325 2.512 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1CC ZINC000050814196 520330366 /nfs/dbraw/zinc/33/03/66/520330366.db2.gz MNRQCWJEXJCBNH-CYBMUJFWSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1CC ZINC000050814196 520330371 /nfs/dbraw/zinc/33/03/71/520330371.db2.gz MNRQCWJEXJCBNH-CYBMUJFWSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@@H]1CC ZINC000050814197 520330782 /nfs/dbraw/zinc/33/07/82/520330782.db2.gz MNRQCWJEXJCBNH-ZDUSSCGKSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@@H]1CC ZINC000050814197 520330790 /nfs/dbraw/zinc/33/07/90/520330790.db2.gz MNRQCWJEXJCBNH-ZDUSSCGKSA-N 1 2 293.367 2.637 10 5 CFBELO Nc1ccc(COc2ccc([N+](=O)[O-])cc2Cl)c[nH+]1 ZINC000050830211 527483393 /nfs/dbraw/zinc/48/33/93/527483393.db2.gz LMTBLYLRBRLDRD-UHFFFAOYSA-N 1 2 279.683 2.804 10 5 CFBELO Cc1ccccc1Nc1ncnc(-n2cc[nH+]c2)c1[N+](=O)[O-] ZINC000040648109 174364945 /nfs/dbraw/zinc/36/49/45/174364945.db2.gz RWCSOTALWKUFQN-UHFFFAOYSA-N 1 2 296.290 2.623 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC[C@H]1C ZINC000050813628 520171022 /nfs/dbraw/zinc/17/10/22/520171022.db2.gz VSQYECYMWSHNPK-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC[C@H]1C ZINC000050813628 520171029 /nfs/dbraw/zinc/17/10/29/520171029.db2.gz VSQYECYMWSHNPK-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000050813676 520330306 /nfs/dbraw/zinc/33/03/06/520330306.db2.gz COZPGTKFJIHURI-NWDGAFQWSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000050813676 520330312 /nfs/dbraw/zinc/33/03/12/520330312.db2.gz COZPGTKFJIHURI-NWDGAFQWSA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817358 523351671 /nfs/dbraw/zinc/35/16/71/523351671.db2.gz LLGQLUVPEQSPIR-YPMHNXCESA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817358 523351676 /nfs/dbraw/zinc/35/16/76/523351676.db2.gz LLGQLUVPEQSPIR-YPMHNXCESA-N 1 2 293.367 2.636 10 5 CFBELO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000171690637 623238999 /nfs/dbraw/zinc/23/89/99/623238999.db2.gz INTBFBDKRFESTM-VIFPVBQESA-N 1 2 270.329 2.671 10 5 CFBELO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000171690637 623238997 /nfs/dbraw/zinc/23/89/97/623238997.db2.gz INTBFBDKRFESTM-VIFPVBQESA-N 1 2 270.329 2.671 10 5 CFBELO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000171690839 379373982 /nfs/dbraw/zinc/37/39/82/379373982.db2.gz AVYGVOPWRLSBTJ-QMMMGPOBSA-N 1 2 258.368 2.594 10 5 CFBELO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000171690839 379373987 /nfs/dbraw/zinc/37/39/87/379373987.db2.gz AVYGVOPWRLSBTJ-QMMMGPOBSA-N 1 2 258.368 2.594 10 5 CFBELO Nc1ccc(SCc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000037192645 173022363 /nfs/dbraw/zinc/02/23/63/173022363.db2.gz AUQIMQGTQNLIMG-UHFFFAOYSA-N 1 2 261.306 2.864 10 5 CFBELO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])o2)o1 ZINC000037280517 173089318 /nfs/dbraw/zinc/08/93/18/173089318.db2.gz ONBWTRFSFKJZPY-VIFPVBQESA-N 1 2 250.254 2.940 10 5 CFBELO C[C@@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000393321006 281192862 /nfs/dbraw/zinc/19/28/62/281192862.db2.gz ACRYZXAVDDNWOZ-SECBINFHSA-N 1 2 294.742 2.833 10 5 CFBELO CCCNc1ccc(C[N@@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000050813622 520157209 /nfs/dbraw/zinc/15/72/09/520157209.db2.gz WQILZSGFIWTWJE-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc(C[N@H+]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000050813622 520157214 /nfs/dbraw/zinc/15/72/14/520157214.db2.gz WQILZSGFIWTWJE-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000050817639 520302502 /nfs/dbraw/zinc/30/25/02/520302502.db2.gz CCZXARAIINGXLD-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc(C[N@H+]2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000050817639 520302511 /nfs/dbraw/zinc/30/25/11/520302511.db2.gz CCZXARAIINGXLD-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO Nc1ccc(CSc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000050838063 527483876 /nfs/dbraw/zinc/48/38/76/527483876.db2.gz WLYLZJIFMKFENB-UHFFFAOYSA-N 1 2 261.306 2.864 10 5 CFBELO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]Cc1ccccn1 ZINC000084439680 626015630 /nfs/dbraw/zinc/01/56/30/626015630.db2.gz JOBGWACNBQVLAT-UHFFFAOYSA-N 1 2 277.711 2.933 10 5 CFBELO CCC[NH+](CCC)CCc1ccc(O)c([N+](=O)[O-])c1 ZINC000196669403 348148728 /nfs/dbraw/zinc/14/87/28/348148728.db2.gz YPTVCXIIFSKYBH-UHFFFAOYSA-N 1 2 266.341 2.965 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249713332 383357859 /nfs/dbraw/zinc/35/78/59/383357859.db2.gz GOEKOWAWTDGVJQ-CABCVRRESA-N 1 2 294.326 2.877 10 5 CFBELO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249713332 383357862 /nfs/dbraw/zinc/35/78/62/383357862.db2.gz GOEKOWAWTDGVJQ-CABCVRRESA-N 1 2 294.326 2.877 10 5 CFBELO CC[C@@H]([NH2+]Cc1nnc(C)o1)c1cccc([N+](=O)[O-])c1 ZINC000181550197 393497812 /nfs/dbraw/zinc/49/78/12/393497812.db2.gz SKBBZEQQOUORCV-GFCCVEGCSA-N 1 2 276.296 2.527 10 5 CFBELO C[NH2+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(F)cc1F ZINC000035491497 172225463 /nfs/dbraw/zinc/22/54/63/172225463.db2.gz VXOHVXJTWHQHIC-GFCCVEGCSA-N 1 2 268.219 2.775 10 5 CFBELO CCc1c(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)nc1NC ZINC000050849235 523711263 /nfs/dbraw/zinc/71/12/63/523711263.db2.gz HZASKEDMDPCCAF-UHFFFAOYSA-N 1 2 272.308 2.964 10 5 CFBELO CCc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1CC ZINC000312607615 524057807 /nfs/dbraw/zinc/05/78/07/524057807.db2.gz UFCDTMKIZCCXLA-UHFFFAOYSA-N 1 2 274.324 2.986 10 5 CFBELO COc1ccc([N+](=O)[O-])cc1NCc1[nH+]ccn1C(C)C ZINC000123590342 187099658 /nfs/dbraw/zinc/09/96/58/187099658.db2.gz YHSDPMJUJADWDW-UHFFFAOYSA-N 1 2 290.323 2.993 10 5 CFBELO CN(C)c1cc(CNc2cc(F)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000302820025 382326775 /nfs/dbraw/zinc/32/67/75/382326775.db2.gz OVQVBVSXASHFGR-UHFFFAOYSA-N 1 2 290.298 2.807 10 5 CFBELO CNc1nc(-c2cccc([N+](=O)[O-])c2)[nH+]c(C)c1C ZINC000050864035 522676882 /nfs/dbraw/zinc/67/68/82/522676882.db2.gz CKNZJMVAPXOJFA-UHFFFAOYSA-N 1 2 258.281 2.710 10 5 CFBELO Cc1ccc(N[C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000061700967 525309397 /nfs/dbraw/zinc/30/93/97/525309397.db2.gz WBBBAUFIUORRFE-NSHDSACASA-N 1 2 260.297 2.600 10 5 CFBELO Nc1ccc([N+](=O)[O-])cc1C[NH+]1Cc2ccccc2C1 ZINC000050912355 527504220 /nfs/dbraw/zinc/50/42/20/527504220.db2.gz KHYWCTDGZSJTPI-UHFFFAOYSA-N 1 2 269.304 2.693 10 5 CFBELO C[N+](C)([O-])CCN(Cc1cccs1)c1cccc[nH+]1 ZINC000031457990 346294978 /nfs/dbraw/zinc/29/49/78/346294978.db2.gz GNZXFNTUTAEIJV-UHFFFAOYSA-N 1 2 277.393 2.724 10 5 CFBELO CCn1cc[nH+]c1CNc1cc([N+](=O)[O-])ccc1C ZINC000051922480 373420515 /nfs/dbraw/zinc/42/05/15/373420515.db2.gz ACLQTGHQYJSSAH-UHFFFAOYSA-N 1 2 260.297 2.732 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOCC1(C)C ZINC000050817641 520330064 /nfs/dbraw/zinc/33/00/64/520330064.db2.gz VRJDSWVJKXDJAB-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOCC1(C)C ZINC000050817641 520330067 /nfs/dbraw/zinc/33/00/67/520330067.db2.gz VRJDSWVJKXDJAB-UHFFFAOYSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1ccc(COc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000050830238 522612075 /nfs/dbraw/zinc/61/20/75/522612075.db2.gz OCTSWFFLWQXZCA-UHFFFAOYSA-N 1 2 259.265 2.611 10 5 CFBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175028785 379981588 /nfs/dbraw/zinc/98/15/88/379981588.db2.gz KULJCGMJCCZYHS-VXGBXAGGSA-N 1 2 294.351 2.603 10 5 CFBELO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccccc1[N+](=O)[O-] ZINC000393321007 281193092 /nfs/dbraw/zinc/19/30/92/281193092.db2.gz ACRYZXAVDDNWOZ-VIFPVBQESA-N 1 2 294.742 2.833 10 5 CFBELO CNc1cc(C)[nH+]c(-c2cc([N+](=O)[O-])ccc2C)n1 ZINC000050848588 522566036 /nfs/dbraw/zinc/56/60/36/522566036.db2.gz SDJFKWMKIGETMY-UHFFFAOYSA-N 1 2 258.281 2.710 10 5 CFBELO CNc1ccc(COc2ccc(OC)cc2[N+](=O)[O-])c[nH+]1 ZINC000050830280 522613258 /nfs/dbraw/zinc/61/32/58/522613258.db2.gz NJTVJHMFIIGPNI-UHFFFAOYSA-N 1 2 289.291 2.619 10 5 CFBELO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817360 523344767 /nfs/dbraw/zinc/34/47/67/523344767.db2.gz LLGQLUVPEQSPIR-AAEUAGOBSA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817360 523344774 /nfs/dbraw/zinc/34/47/74/523344774.db2.gz LLGQLUVPEQSPIR-AAEUAGOBSA-N 1 2 293.367 2.636 10 5 CFBELO C[C@@H]1CCC[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000050565945 524221353 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CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000050792426 520329821 /nfs/dbraw/zinc/32/98/21/520329821.db2.gz PDLPXZPYHWSWBX-TXEJJXNPSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000050792426 520329827 /nfs/dbraw/zinc/32/98/27/520329827.db2.gz PDLPXZPYHWSWBX-TXEJJXNPSA-N 1 2 293.367 2.636 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](CC)C1 ZINC000050813723 520330854 /nfs/dbraw/zinc/33/08/54/520330854.db2.gz IKAUJKHZQRZPPP-CQSZACIVSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](CC)C1 ZINC000050813723 520330858 /nfs/dbraw/zinc/33/08/58/520330858.db2.gz IKAUJKHZQRZPPP-CQSZACIVSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1cccnc1 ZINC000050813908 522645056 /nfs/dbraw/zinc/64/50/56/522645056.db2.gz IHKTUVGEKUQRRM-UHFFFAOYSA-N 1 2 286.335 2.664 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1cccnc1 ZINC000050813908 522645066 /nfs/dbraw/zinc/64/50/66/522645066.db2.gz IHKTUVGEKUQRRM-UHFFFAOYSA-N 1 2 286.335 2.664 10 5 CFBELO O=[N+]([O-])c1ccccc1N1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195513647 285164092 /nfs/dbraw/zinc/16/40/92/285164092.db2.gz GQMHLEAFNMJYJT-CYBMUJFWSA-N 1 2 298.346 2.928 10 5 CFBELO Nc1ccc(SCc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000037192685 173021772 /nfs/dbraw/zinc/02/17/72/173021772.db2.gz OINFIPBVMXXFKX-UHFFFAOYSA-N 1 2 261.306 2.864 10 5 CFBELO CCCc1cc(NCCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000040765763 174397706 /nfs/dbraw/zinc/39/77/06/174397706.db2.gz ABOQJPYWFNHUIR-UHFFFAOYSA-N 1 2 286.335 2.992 10 5 CFBELO CC(C)c1cc(N)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000050846432 519832993 /nfs/dbraw/zinc/83/29/93/519832993.db2.gz IHVABDRSDVFCDO-UHFFFAOYSA-N 1 2 258.281 2.757 10 5 CFBELO CNc1ccc(COc2cccc([N+](=O)[O-])c2)c[nH+]1 ZINC000050830272 522613128 /nfs/dbraw/zinc/61/31/28/522613128.db2.gz FGAUWBPBLTUTAZ-UHFFFAOYSA-N 1 2 259.265 2.611 10 5 CFBELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817355 523507383 /nfs/dbraw/zinc/50/73/83/523507383.db2.gz UNWOBMRKKZUSBO-WCQYABFASA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817355 523507391 /nfs/dbraw/zinc/50/73/91/523507391.db2.gz UNWOBMRKKZUSBO-WCQYABFASA-N 1 2 293.367 2.636 10 5 CFBELO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC000220909608 526127196 /nfs/dbraw/zinc/12/71/96/526127196.db2.gz GIUJHVCCTDUQQI-SNVBAGLBSA-N 1 2 261.281 2.742 10 5 CFBELO Cc1[nH+]c[nH]c1CNc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000054797459 527213635 /nfs/dbraw/zinc/21/36/35/527213635.db2.gz SXFOYFDLBVINNH-UHFFFAOYSA-N 1 2 260.297 2.855 10 5 CFBELO O=[N+]([O-])c1cc(Cl)ccc1NCc1c[nH+]c[nH]1 ZINC000054764403 527333831 /nfs/dbraw/zinc/33/38/31/527333831.db2.gz VOOVGCIDTCFRNH-UHFFFAOYSA-N 1 2 252.661 2.583 10 5 CFBELO O=[N+]([O-])c1cc(Cl)ccc1NCc1c[nH]c[nH+]1 ZINC000054764403 527333838 /nfs/dbraw/zinc/33/38/38/527333838.db2.gz VOOVGCIDTCFRNH-UHFFFAOYSA-N 1 2 252.661 2.583 10 5 CFBELO Cc1cc(N2CCC[C@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000271321304 191072838 /nfs/dbraw/zinc/07/28/38/191072838.db2.gz KFTWGLFHCXTUIQ-AWEZNQCLSA-N 1 2 286.335 2.769 10 5 CFBELO CNc1ccc(COc2ccc(C)cc2[N+](=O)[O-])c[nH+]1 ZINC000050833448 522613201 /nfs/dbraw/zinc/61/32/01/522613201.db2.gz FYQIPHAQOMFYLB-UHFFFAOYSA-N 1 2 273.292 2.919 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+](C)Cc1ccco1 ZINC000050813520 522644646 /nfs/dbraw/zinc/64/46/46/522644646.db2.gz PDWBBBRJPYAMJO-UHFFFAOYSA-N 1 2 275.308 2.862 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+](C)Cc1ccco1 ZINC000050813520 522644656 /nfs/dbraw/zinc/64/46/56/522644656.db2.gz PDWBBBRJPYAMJO-UHFFFAOYSA-N 1 2 275.308 2.862 10 5 CFBELO Cc1cc(C)c(OCc2ccc(N)[nH+]c2)c([N+](=O)[O-])c1 ZINC000050833317 524311100 /nfs/dbraw/zinc/31/11/00/524311100.db2.gz JOKPJGXBUXWHCH-UHFFFAOYSA-N 1 2 273.292 2.768 10 5 CFBELO Cc1[nH+]c2ccccc2n1Cc1ccc(N)c([N+](=O)[O-])c1 ZINC000050829162 527171221 /nfs/dbraw/zinc/17/12/21/527171221.db2.gz UMXUXOZSVZOGFC-UHFFFAOYSA-N 1 2 282.303 2.883 10 5 CFBELO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000083170775 178349218 /nfs/dbraw/zinc/34/92/18/178349218.db2.gz ZFLHKELTGUJAKY-VIFPVBQESA-N 1 2 293.348 2.673 10 5 CFBELO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CCS1 ZINC000083170775 178349220 /nfs/dbraw/zinc/34/92/20/178349220.db2.gz ZFLHKELTGUJAKY-VIFPVBQESA-N 1 2 293.348 2.673 10 5 CFBELO C[C@H]1OCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413214756 233035443 /nfs/dbraw/zinc/03/54/43/233035443.db2.gz MTVWTIUENKOAKV-RNCFNFMXSA-N 1 2 273.292 2.732 10 5 CFBELO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000267364738 384369681 /nfs/dbraw/zinc/36/96/81/384369681.db2.gz ISTLNHSWVTWCRF-GFCCVEGCSA-N 1 2 290.298 2.599 10 5 CFBELO CCCc1cc(NCc2ccc([N+](=O)[O-])cc2)nc[nH+]1 ZINC000040765670 174397803 /nfs/dbraw/zinc/39/78/03/174397803.db2.gz OXLUNWNGOPXQOA-UHFFFAOYSA-N 1 2 272.308 2.949 10 5 CFBELO CCCNc1ccc(C[N@@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813621 520156555 /nfs/dbraw/zinc/15/65/55/520156555.db2.gz WQILZSGFIWTWJE-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc(C[N@H+]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000050813621 520156565 /nfs/dbraw/zinc/15/65/65/520156565.db2.gz WQILZSGFIWTWJE-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050816335 522610266 /nfs/dbraw/zinc/61/02/66/522610266.db2.gz WANRAVQFNIQBDM-NSHDSACASA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000050816335 522610272 /nfs/dbraw/zinc/61/02/72/522610272.db2.gz WANRAVQFNIQBDM-NSHDSACASA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc(COc2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000050830252 522611887 /nfs/dbraw/zinc/61/18/87/522611887.db2.gz YBAXGOUSGPLBKM-UHFFFAOYSA-N 1 2 259.265 2.611 10 5 CFBELO CNc1ccc(COc2ccc([N+](=O)[O-])cc2F)c[nH+]1 ZINC000050832992 522611944 /nfs/dbraw/zinc/61/19/44/522611944.db2.gz JQLULXQEHILRDD-UHFFFAOYSA-N 1 2 277.255 2.750 10 5 CFBELO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817359 523508962 /nfs/dbraw/zinc/50/89/62/523508962.db2.gz LLGQLUVPEQSPIR-WCQYABFASA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1NC ZINC000050817359 523508968 /nfs/dbraw/zinc/50/89/68/523508968.db2.gz LLGQLUVPEQSPIR-WCQYABFASA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817353 523516793 /nfs/dbraw/zinc/51/67/93/523516793.db2.gz UNWOBMRKKZUSBO-DGCLKSJQSA-N 1 2 293.367 2.636 10 5 CFBELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(NC)c([N+](=O)[O-])c1 ZINC000050817353 523516801 /nfs/dbraw/zinc/51/68/01/523516801.db2.gz UNWOBMRKKZUSBO-DGCLKSJQSA-N 1 2 293.367 2.636 10 5 CFBELO Cc1nccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000049963489 527337086 /nfs/dbraw/zinc/33/70/86/527337086.db2.gz SNAFUSBQNBETMZ-UHFFFAOYSA-N 1 2 292.726 2.636 10 5 CFBELO Cc1cc(N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000271321307 191072708 /nfs/dbraw/zinc/07/27/08/191072708.db2.gz KFTWGLFHCXTUIQ-CQSZACIVSA-N 1 2 286.335 2.769 10 5 CFBELO Cc1cc(N(C)Cc2[nH+]ccn2C)c(Cl)cc1[N+](=O)[O-] ZINC000301944117 201272843 /nfs/dbraw/zinc/27/28/43/201272843.db2.gz WLWKAWXQMVTBJJ-UHFFFAOYSA-N 1 2 294.742 2.927 10 5 CFBELO O=[N+]([O-])c1ccc([C@@H](O)Cc2[nH]c3ccccc3[nH+]2)cc1 ZINC000021952910 171340686 /nfs/dbraw/zinc/34/06/86/171340686.db2.gz HYLKBRDOGKARCV-AWEZNQCLSA-N 1 2 283.287 2.747 10 5 CFBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)cc2F)o1 ZINC000051016873 527351555 /nfs/dbraw/zinc/35/15/55/527351555.db2.gz LYZDJVXPVLDCTL-UHFFFAOYSA-N 1 2 268.219 2.756 10 5 CFBELO O=[N+]([O-])c1ccc(/C=C2\CCC=C2[NH+]2CCOCC2)cc1 ZINC000003885159 371822432 /nfs/dbraw/zinc/82/24/32/371822432.db2.gz DVVNPMOMGFZSMF-WYMLVPIESA-N 1 2 286.331 2.988 10 5 CFBELO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000175028797 379982118 /nfs/dbraw/zinc/98/21/18/379982118.db2.gz KULJCGMJCCZYHS-RYUDHWBXSA-N 1 2 294.351 2.603 10 5 CFBELO CN(C)c1[nH+]cccc1CNc1cc(F)ccc1[N+](=O)[O-] ZINC000302787194 382318912 /nfs/dbraw/zinc/31/89/12/382318912.db2.gz ACNXYZJFKBJGKK-UHFFFAOYSA-N 1 2 290.298 2.807 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000050792573 520171088 /nfs/dbraw/zinc/17/10/88/520171088.db2.gz LHUOQQZBSIYFNZ-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](C)C1 ZINC000050792573 520171092 /nfs/dbraw/zinc/17/10/92/520171092.db2.gz LHUOQQZBSIYFNZ-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO O=[N+]([O-])c1cc(NCc2c[nH+]c[nH]2)ccc1Cl ZINC000054764687 527338684 /nfs/dbraw/zinc/33/86/84/527338684.db2.gz YDNUGHDELMYCCZ-UHFFFAOYSA-N 1 2 252.661 2.583 10 5 CFBELO O=[N+]([O-])c1cc(NCc2c[nH]c[nH+]2)ccc1Cl ZINC000054764687 527338690 /nfs/dbraw/zinc/33/86/90/527338690.db2.gz YDNUGHDELMYCCZ-UHFFFAOYSA-N 1 2 252.661 2.583 10 5 CFBELO Nc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2sccc2C1 ZINC000050792579 527504347 /nfs/dbraw/zinc/50/43/47/527504347.db2.gz PYLGEXBHIKUNLZ-UHFFFAOYSA-N 1 2 289.360 2.797 10 5 CFBELO Nc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2sccc2C1 ZINC000050792579 527504351 /nfs/dbraw/zinc/50/43/51/527504351.db2.gz PYLGEXBHIKUNLZ-UHFFFAOYSA-N 1 2 289.360 2.797 10 5 CFBELO CCc1nnc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000160499548 378777304 /nfs/dbraw/zinc/77/73/04/378777304.db2.gz GFIKNVXNAURORS-LBPRGKRZSA-N 1 2 289.339 2.516 10 5 CFBELO Nc1nc2ccc3cc(Br)ccc3c2c(N)[nH+]1 ZINC000005974284 170164835 /nfs/dbraw/zinc/16/48/35/170164835.db2.gz HUHLNLWASRUHTG-UHFFFAOYSA-N 1 2 289.136 2.710 10 5 CFBELO C[N@H+](Cc1ccccc1F)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816750 523371190 /nfs/dbraw/zinc/37/11/90/523371190.db2.gz JHWYXCFMPPUXKV-UHFFFAOYSA-N 1 2 289.310 2.948 10 5 CFBELO C[N@@H+](Cc1ccccc1F)Cc1cc([N+](=O)[O-])ccc1N ZINC000050816750 523371196 /nfs/dbraw/zinc/37/11/96/523371196.db2.gz JHWYXCFMPPUXKV-UHFFFAOYSA-N 1 2 289.310 2.948 10 5 CFBELO Cc1[nH+]c[nH]c1CNc1cc([N+](=O)[O-])ccc1Cl ZINC000054795524 527213739 /nfs/dbraw/zinc/21/37/39/527213739.db2.gz QHTNSQDHVZCMMH-UHFFFAOYSA-N 1 2 266.688 2.892 10 5 CFBELO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COc3ccccc32)cs1 ZINC000070070169 527330374 /nfs/dbraw/zinc/33/03/74/527330374.db2.gz QKGPXZNYIWYBJR-LLVKDONJSA-N 1 2 276.317 2.880 10 5 CFBELO Nc1ccc(CSc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000050838113 527483693 /nfs/dbraw/zinc/48/36/93/527483693.db2.gz ZCTBNVWNSLCFNC-UHFFFAOYSA-N 1 2 261.306 2.864 10 5 CFBELO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC2)c1 ZINC000675056871 540642577 /nfs/dbraw/zinc/64/25/77/540642577.db2.gz XSGXPRXUQZDOAE-UHFFFAOYSA-N 1 2 271.114 2.563 10 5 CFBELO CCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048045905 373142271 /nfs/dbraw/zinc/14/22/71/373142271.db2.gz FKVSXBAEJIYAEE-UHFFFAOYSA-N 1 2 258.281 2.792 10 5 CFBELO C[NH+](C)c1ccc(NCC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000098181039 375610404 /nfs/dbraw/zinc/61/04/04/375610404.db2.gz YIYIUBLPWBOFOP-UHFFFAOYSA-N 1 2 299.330 2.956 10 5 CFBELO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000267052607 384287945 /nfs/dbraw/zinc/28/79/45/384287945.db2.gz QWYKRIRITAAYAD-VIFPVBQESA-N 1 2 270.329 2.671 10 5 CFBELO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000267052607 384287955 /nfs/dbraw/zinc/28/79/55/384287955.db2.gz QWYKRIRITAAYAD-VIFPVBQESA-N 1 2 270.329 2.671 10 5 CFBELO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2F)o1 ZINC000037211950 173033606 /nfs/dbraw/zinc/03/36/06/173033606.db2.gz NRRSDJFAHLEMMR-UHFFFAOYSA-N 1 2 250.229 2.617 10 5 CFBELO O=[N+]([O-])c1c(Sc2ccccc2)ncnc1-n1cc[nH+]c1 ZINC000040650184 174364983 /nfs/dbraw/zinc/36/49/83/174364983.db2.gz XQSZGDBVCKEWEH-UHFFFAOYSA-N 1 2 299.315 2.722 10 5 CFBELO CNc1ccc(COc2ccc([N+](=O)[O-])c(C)c2)c[nH+]1 ZINC000050830225 522613058 /nfs/dbraw/zinc/61/30/58/522613058.db2.gz JLAOMIRHYHWTSU-UHFFFAOYSA-N 1 2 273.292 2.919 10 5 CFBELO CNc1ccc(COc2cc([N+](=O)[O-])ccc2C)c[nH+]1 ZINC000050833119 522613568 /nfs/dbraw/zinc/61/35/68/522613568.db2.gz OTBJHNLUICLRFO-UHFFFAOYSA-N 1 2 273.292 2.919 10 5 CFBELO CCc1c(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)nc1N ZINC000050845290 523710348 /nfs/dbraw/zinc/71/03/48/523710348.db2.gz KZUXSDWAWVQGJB-UHFFFAOYSA-N 1 2 258.281 2.505 10 5 CFBELO C[N+](C)([O-])CCN(Cc1ccccc1)c1cccc[nH+]1 ZINC000701661510 717188268 /nfs/dbraw/zinc/18/82/68/717188268.db2.gz MSTJFFJNICHTPK-UHFFFAOYSA-N 1 2 271.364 2.662 10 5 CFBELO O=[N+]([O-])c1cccnc1Nc1ccc2[nH]c[nH+]c2c1 ZINC000089195169 374886651 /nfs/dbraw/zinc/88/66/51/374886651.db2.gz NTQCFGBYNJPARC-UHFFFAOYSA-N 1 2 255.237 2.610 10 5 CFBELO CCc1nnc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)o1 ZINC000181525773 380817951 /nfs/dbraw/zinc/81/79/51/380817951.db2.gz UOUBOKIYEORZGP-GFCCVEGCSA-N 1 2 290.323 2.781 10 5 CFBELO O=[N+]([O-])c1ccc(N2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000267409360 384383594 /nfs/dbraw/zinc/38/35/94/384383594.db2.gz RJOUAURIMYSMPF-LBPRGKRZSA-N 1 2 290.298 2.599 10 5 CFBELO C[C@@H]1CCC[N@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009996514 170393709 /nfs/dbraw/zinc/39/37/09/170393709.db2.gz ZSFXIORDDMMXQP-LLVKDONJSA-N 1 2 262.309 2.509 10 5 CFBELO C[C@@H]1CCC[N@@H+](CC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000009996514 170393710 /nfs/dbraw/zinc/39/37/10/170393710.db2.gz ZSFXIORDDMMXQP-LLVKDONJSA-N 1 2 262.309 2.509 10 5 CFBELO CCC[C@@H]([NH2+]Cc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000038034216 174032959 /nfs/dbraw/zinc/03/29/59/174032959.db2.gz KSZWNBMDKDAGDL-CYBMUJFWSA-N 1 2 290.323 2.917 10 5 CFBELO CCCNc1ccc(C[N@@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792566 520156629 /nfs/dbraw/zinc/15/66/29/520156629.db2.gz QCXIVBBTBAFHMT-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc(C[N@H+]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000050792566 520156638 /nfs/dbraw/zinc/15/66/38/520156638.db2.gz QCXIVBBTBAFHMT-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CNc1ccc(COc2ccc([N+](=O)[O-])cc2OC)c[nH+]1 ZINC000050833278 522611993 /nfs/dbraw/zinc/61/19/93/522611993.db2.gz MAGPFJMMTVAXMO-UHFFFAOYSA-N 1 2 289.291 2.619 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000050816336 522647644 /nfs/dbraw/zinc/64/76/44/522647644.db2.gz LBIQJAFTGDSJKT-LLVKDONJSA-N 1 2 293.367 2.636 10 5 CFBELO CNc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000050816336 522647657 /nfs/dbraw/zinc/64/76/57/522647657.db2.gz LBIQJAFTGDSJKT-LLVKDONJSA-N 1 2 293.367 2.636 10 5 CFBELO CCc1nnc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000160499669 378777332 /nfs/dbraw/zinc/77/73/32/378777332.db2.gz GFIKNVXNAURORS-GFCCVEGCSA-N 1 2 289.339 2.516 10 5 CFBELO [NH3+][C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(Cl)s1 ZINC000035381223 172163878 /nfs/dbraw/zinc/16/38/78/172163878.db2.gz CSXDWBMMHDBARL-VIFPVBQESA-N 1 2 258.686 2.951 10 5 CFBELO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])o2)o1 ZINC000037280515 173089141 /nfs/dbraw/zinc/08/91/41/173089141.db2.gz ONBWTRFSFKJZPY-SECBINFHSA-N 1 2 250.254 2.940 10 5 CFBELO Cc1csc(C[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])n1 ZINC000038091455 174104695 /nfs/dbraw/zinc/10/46/95/174104695.db2.gz SJRSUJDBUQCMJT-UHFFFAOYSA-N 1 2 281.312 2.789 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1Cn1cc[nH+]c1 ZINC000050818583 520172971 /nfs/dbraw/zinc/17/29/71/520172971.db2.gz CMQLGPSDAPKZFK-UHFFFAOYSA-N 1 2 260.297 2.662 10 5 CFBELO CCCc1cc(N)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000050845603 521366463 /nfs/dbraw/zinc/36/64/63/521366463.db2.gz CEZOYZCGPITYKK-UHFFFAOYSA-N 1 2 258.281 2.587 10 5 CFBELO C[NH+](C)c1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000050455143 522239423 /nfs/dbraw/zinc/23/94/23/522239423.db2.gz NUGNBLRKGYFWAP-UHFFFAOYSA-N 1 2 293.714 2.848 10 5 CFBELO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000160544909 527386094 /nfs/dbraw/zinc/38/60/94/527386094.db2.gz JCIBEYLRGRKGKT-UHFFFAOYSA-N 1 2 286.335 2.698 10 5 CFBELO Cc1cccc(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])c1 ZINC000040648583 174364800 /nfs/dbraw/zinc/36/48/00/174364800.db2.gz RLFGWGDBRWAZKI-UHFFFAOYSA-N 1 2 296.290 2.623 10 5 CFBELO C[C@@H]1OCC[C@@H]1Nc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413214758 278056678 /nfs/dbraw/zinc/05/66/78/278056678.db2.gz MTVWTIUENKOAKV-ZANVPECISA-N 1 2 273.292 2.732 10 5 CFBELO CCCNc1ccc(C[N@@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792567 520157284 /nfs/dbraw/zinc/15/72/84/520157284.db2.gz QCXIVBBTBAFHMT-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc(C[N@H+]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000050792567 520157290 /nfs/dbraw/zinc/15/72/90/520157290.db2.gz QCXIVBBTBAFHMT-LBPRGKRZSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](C)C1 ZINC000050792572 520170244 /nfs/dbraw/zinc/17/02/44/520170244.db2.gz LHUOQQZBSIYFNZ-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCCNc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](C)C1 ZINC000050792572 520170255 /nfs/dbraw/zinc/17/02/55/520170255.db2.gz LHUOQQZBSIYFNZ-GFCCVEGCSA-N 1 2 293.367 2.637 10 5 CFBELO CCNc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000050792427 520331052 /nfs/dbraw/zinc/33/10/52/520331052.db2.gz PDLPXZPYHWSWBX-VXGBXAGGSA-N 1 2 293.367 2.636 10 5 CFBELO C[C@@H]1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000033394615 372491831 /nfs/dbraw/zinc/49/18/31/372491831.db2.gz KUPZNMSOLPZTTB-WFMXKNRHSA-N 1 2 276.336 2.717 10 5 CFBELO Nc1ccc(SCc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000037192377 173020888 /nfs/dbraw/zinc/02/08/88/173020888.db2.gz IOFURTGOSIFYOV-UHFFFAOYSA-N 1 2 261.306 2.864 10 5 CFBELO