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-])c1cc(-c2cc(Cl)c(F)cc2[N+](=O)[O-])cs1 ZINC000079064485 185152348 /nfs/dbraw/zinc/15/23/48/185152348.db2.gz GCTLGYQBTXURRA-UHFFFAOYSA-N 0 0 302.670 4.024 10 5 DIBERN C[N@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000306146723 231093162 /nfs/dbraw/zinc/09/31/62/231093162.db2.gz NKNYMFHSPDODLJ-KHYOSLBOSA-N 0 0 301.773 4.271 10 5 DIBERN O=C(c1cccc([N+](=O)[O-])c1)n1c2ccccc2c2c1CCCC2 ZINC000005604897 181263235 /nfs/dbraw/zinc/26/32/35/181263235.db2.gz YFVSEKYMNBFPDN-UHFFFAOYSA-N 0 0 320.348 4.117 10 5 DIBERN O=[N+]([O-])CCc1c2cc(Cl)ccc2[nH]c1-c1ccc(F)cc1 ZINC000006221888 181321101 /nfs/dbraw/zinc/32/11/01/181321101.db2.gz HFCMYNUBEVBQEG-UHFFFAOYSA-N 0 0 318.735 4.447 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000006268091 181324536 /nfs/dbraw/zinc/32/45/36/181324536.db2.gz SKNVWXTWCNWVJZ-VMPITWQZSA-N 0 0 316.744 4.209 10 5 DIBERN Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006519705 181348906 /nfs/dbraw/zinc/34/89/06/181348906.db2.gz CWJVZXQINMSJBV-VQHVLOKHSA-N 0 0 316.744 4.209 10 5 DIBERN Cc1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000015562095 182006748 /nfs/dbraw/zinc/00/67/48/182006748.db2.gz HOUOANQYQVDAIA-NSHDSACASA-N 0 0 318.760 4.048 10 5 DIBERN CC1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000021017243 182260691 /nfs/dbraw/zinc/26/06/91/182260691.db2.gz MIGWVBDETZNQMM-UHFFFAOYSA-N 0 0 313.195 4.348 10 5 DIBERN CCCNc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040596686 183107264 /nfs/dbraw/zinc/10/72/64/183107264.db2.gz WIXFPHDBWUTADC-UHFFFAOYSA-N 0 0 324.793 4.011 10 5 DIBERN Cc1ccc(C(=O)c2cc3c(ccc4ccccc43)oc2=O)cc1 ZINC000040950959 183150643 /nfs/dbraw/zinc/15/06/43/183150643.db2.gz YERJAASTDVSSHP-UHFFFAOYSA-N 0 0 314.340 4.486 10 5 DIBERN COc1ccc2nccc(Nc3ccc([N+](=O)[O-])cc3C)c2c1 ZINC000041055474 183160347 /nfs/dbraw/zinc/16/03/47/183160347.db2.gz DVTIQQZILSXBAE-UHFFFAOYSA-N 0 0 309.325 4.204 10 5 DIBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C)C[C@H](C)C1 ZINC000129582442 332019623 /nfs/dbraw/zinc/01/96/23/332019623.db2.gz NABYDINFWGSRQD-NEPJUHHUSA-N 0 0 319.405 4.112 10 5 DIBERN O=[N+]([O-])c1cccc(F)c1NC1CCC(C(F)(F)F)CC1 ZINC000132447533 332130009 /nfs/dbraw/zinc/13/00/09/332130009.db2.gz MUTIVZFJWUEWKU-UHFFFAOYSA-N 0 0 306.259 4.267 10 5 DIBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301425150 336305898 /nfs/dbraw/zinc/30/58/98/336305898.db2.gz OSAVKGHTTPALQU-GHMZBOCLSA-N 0 0 312.291 4.016 10 5 DIBERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ncc(C)cc2[N+](=O)[O-])o1 ZINC000301430823 336306328 /nfs/dbraw/zinc/30/63/28/336306328.db2.gz IQDVTXBDQBOEJV-BXUZGUMPSA-N 0 0 315.373 4.177 10 5 DIBERN C[C@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])c2ccccc21 ZINC000302027189 336344066 /nfs/dbraw/zinc/34/40/66/336344066.db2.gz ILIVCDXBNWAYDY-BLLLJJGKSA-N 0 0 312.369 4.138 10 5 DIBERN Cc1nc(CNc2c(C)cc([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000302800979 336369855 /nfs/dbraw/zinc/36/98/55/336369855.db2.gz CGWXCUWPMSWJFJ-UHFFFAOYSA-N 0 0 311.794 4.242 10 5 DIBERN Cc1cc([N+](=O)[O-])cc(Cl)c1NCc1ccccc1[N+](=O)[O-] ZINC000302824086 336370818 /nfs/dbraw/zinc/37/08/18/336370818.db2.gz LMJMVUGZBGZPLM-UHFFFAOYSA-N 0 0 321.720 4.077 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1NCc1coc(-c2cccs2)n1 ZINC000302863274 336372367 /nfs/dbraw/zinc/37/23/67/336372367.db2.gz RWQZOVWRMUSXHS-UHFFFAOYSA-N 0 0 319.317 4.063 10 5 DIBERN CCc1cnc([C@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000134926244 341226741 /nfs/dbraw/zinc/22/67/41/341226741.db2.gz RBTOZCBBVPWIDG-QMMMGPOBSA-N 0 0 311.794 4.440 10 5 DIBERN Cc1c(NC(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246489237 341350528 /nfs/dbraw/zinc/35/05/28/341350528.db2.gz PGKMUTBPEXMBOK-PVXIVEMSSA-N 0 0 317.389 4.088 10 5 DIBERN C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000227648140 525681481 /nfs/dbraw/zinc/68/14/81/525681481.db2.gz JWAUPMUZWMFDPL-QMMMGPOBSA-N 0 0 312.156 4.470 10 5 DIBERN O=[N+]([O-])c1cnc2c(Cl)ccc(Br)c2c1Cl ZINC000165880091 563420348 /nfs/dbraw/zinc/42/03/48/563420348.db2.gz WMNZQNFCTOSJJM-UHFFFAOYSA-N 0 0 321.945 4.212 10 5 DIBERN Cc1cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000003104040 180981394 /nfs/dbraw/zinc/98/13/94/180981394.db2.gz MBGVKGZUFUNBAH-VMPITWQZSA-N 0 0 317.728 4.175 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2ccccc21 ZINC000005362189 181234667 /nfs/dbraw/zinc/23/46/67/181234667.db2.gz FEJGVEPVVZIZRB-UHFFFAOYSA-N 0 0 306.321 4.309 10 5 DIBERN Cc1nc(SCc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000005678793 181271426 /nfs/dbraw/zinc/27/14/26/181271426.db2.gz GVFXNHKDBJUOIK-UHFFFAOYSA-N 0 0 311.366 4.139 10 5 DIBERN Oc1ccc(O)c2c(O)c3cc(Cl)c(Cl)cc3c(O)c12 ZINC000005784933 181283515 /nfs/dbraw/zinc/28/35/15/181283515.db2.gz JKHMZJNNKYIWNR-UHFFFAOYSA-N 0 0 311.120 4.122 10 5 DIBERN O=[N+]([O-])c1cc(N(C(F)(F)F)C(F)(F)F)ccc1Cl ZINC000091252301 193026621 /nfs/dbraw/zinc/02/66/21/193026621.db2.gz GKHRYRASXSTHQE-UHFFFAOYSA-N 0 0 308.565 4.094 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccccc1Cl ZINC000010457632 181671668 /nfs/dbraw/zinc/67/16/68/181671668.db2.gz FMIHOPHGQNCVQR-UHFFFAOYSA-N 0 0 318.760 4.128 10 5 DIBERN Cc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000016018267 182029287 /nfs/dbraw/zinc/02/92/87/182029287.db2.gz VHACNCJXTWEMAG-NSHDSACASA-N 0 0 318.760 4.048 10 5 DIBERN O=[N+]([O-])c1cc(F)ccc1Oc1cccc(Br)c1 ZINC000019868792 182158608 /nfs/dbraw/zinc/15/86/08/182158608.db2.gz PCTODZBLDSABPB-UHFFFAOYSA-N 0 0 312.094 4.289 10 5 DIBERN O=c1c2ccccc2oc(-c2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000039119539 183013882 /nfs/dbraw/zinc/01/38/82/183013882.db2.gz JZNPBEJSVAJBFO-UHFFFAOYSA-N 0 0 301.685 4.022 10 5 DIBERN CN(C)c1occc1-c1cc2c(ccc3ccccc32)oc1=O ZINC000039127637 183014430 /nfs/dbraw/zinc/01/44/30/183014430.db2.gz QZYXMONFAIAGRX-UHFFFAOYSA-N 0 0 305.333 4.272 10 5 DIBERN CC(C)Nc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040597316 183107490 /nfs/dbraw/zinc/10/74/90/183107490.db2.gz YSRDHXRFJRWUIX-UHFFFAOYSA-N 0 0 316.361 4.121 10 5 DIBERN CC(C)Oc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040627263 183111023 /nfs/dbraw/zinc/11/10/23/183111023.db2.gz JFPHKMOONPFBQO-UHFFFAOYSA-N 0 0 324.340 4.069 10 5 DIBERN Cc1cccc(C(=O)c2cc3c(ccc4ccccc43)oc2=O)c1 ZINC000040950956 183150827 /nfs/dbraw/zinc/15/08/27/183150827.db2.gz PLHYNMBETAFZNB-UHFFFAOYSA-N 0 0 314.340 4.486 10 5 DIBERN Cc1cccc2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c21 ZINC000040964530 183152369 /nfs/dbraw/zinc/15/23/69/183152369.db2.gz DQMCKPQFKNRKBD-UHFFFAOYSA-N 0 0 309.350 4.433 10 5 DIBERN CN(C/C=C/c1ccc(Cl)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000104848598 194046226 /nfs/dbraw/zinc/04/62/26/194046226.db2.gz AZQNROKWNWMHLU-SNAWJCMRSA-N 0 0 316.788 4.393 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1Nc1ccnc2c(F)cc(F)cc12 ZINC000054202478 183929674 /nfs/dbraw/zinc/92/96/74/183929674.db2.gz GSHTVNXECYCJEX-UHFFFAOYSA-N 0 0 315.279 4.473 10 5 DIBERN Cc1ccc([N+](=O)[O-])c(NCc2csc(C(C)(C)C)n2)c1 ZINC000122883904 333463343 /nfs/dbraw/zinc/46/33/43/333463343.db2.gz HVPJZCFUDNONIP-UHFFFAOYSA-N 0 0 305.403 4.269 10 5 DIBERN Cc1ccc([C@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)s1 ZINC000301281969 336298636 /nfs/dbraw/zinc/29/86/36/336298636.db2.gz OTILLFYVKREFGP-GFCCVEGCSA-N 0 0 323.805 4.355 10 5 DIBERN Cc1cccnc1[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000301295221 336299363 /nfs/dbraw/zinc/29/93/63/336299363.db2.gz XCFAEGBQVMIGQP-CYBMUJFWSA-N 0 0 320.780 4.156 10 5 DIBERN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301425152 336305916 /nfs/dbraw/zinc/30/59/16/336305916.db2.gz OSAVKGHTTPALQU-QWRGUYRKSA-N 0 0 312.291 4.016 10 5 DIBERN CC(=O)c1ccc(N[C@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000301601274 336317553 /nfs/dbraw/zinc/31/75/53/336317553.db2.gz JDRUENRDKHVLNC-LLVKDONJSA-N 0 0 316.332 4.418 10 5 DIBERN CC1(C)C[C@H](Nc2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000301641245 336320157 /nfs/dbraw/zinc/32/01/57/336320157.db2.gz GOJQSQOZAUPHLG-AWEZNQCLSA-N 0 0 316.332 4.448 10 5 DIBERN Cc1nc(CNc2cc(C)c([N+](=O)[O-])cc2Cl)c(C)s1 ZINC000301822341 336332389 /nfs/dbraw/zinc/33/23/89/336332389.db2.gz BWUMXAYBKWVXMN-UHFFFAOYSA-N 0 0 311.794 4.242 10 5 DIBERN O=C1CCc2cc(Oc3ccc([N+](=O)[O-])c4cccnc34)ccc21 ZINC000302530352 336360925 /nfs/dbraw/zinc/36/09/25/336360925.db2.gz LFGJICNVORUOFV-UHFFFAOYSA-N 0 0 320.304 4.064 10 5 DIBERN O=C1CCc2cc(Oc3ccc([N+](=O)[O-])cc3Cl)ccc21 ZINC000302531421 336361013 /nfs/dbraw/zinc/36/10/13/336361013.db2.gz LKQOTJHJSXKRIP-UHFFFAOYSA-N 0 0 303.701 4.169 10 5 DIBERN Cc1cc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)ccc1[N+](=O)[O-] ZINC000302824490 336370790 /nfs/dbraw/zinc/37/07/90/336370790.db2.gz LSZCATJLJQQHBV-JTQLQIEISA-N 0 0 313.309 4.108 10 5 DIBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000584598837 337370621 /nfs/dbraw/zinc/37/06/21/337370621.db2.gz JROJCYUHSDVHGQ-YPMHNXCESA-N 0 0 320.389 4.008 10 5 DIBERN COc1cccc(N[C@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000134908250 341226368 /nfs/dbraw/zinc/22/63/68/341226368.db2.gz RWTYBSCXZIVDSR-SNVBAGLBSA-N 0 0 306.749 4.430 10 5 DIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccco1 ZINC000037754832 525712658 /nfs/dbraw/zinc/71/26/58/525712658.db2.gz KOVSXMACXOCYNQ-MRVPVSSYSA-N 0 0 300.236 4.380 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000148996335 527357851 /nfs/dbraw/zinc/35/78/51/527357851.db2.gz UIRZQFXCTMXUBU-SCZZXKLOSA-N 0 0 306.259 4.267 10 5 DIBERN O=[N+]([O-])c1ccc2nc(CCSCc3ccccc3)oc2c1 ZINC000003152408 563942435 /nfs/dbraw/zinc/94/24/35/563942435.db2.gz VGYCMZSEJUILQR-UHFFFAOYSA-N 0 0 314.366 4.212 10 5 DIBERN Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000001927160 180902729 /nfs/dbraw/zinc/90/27/29/180902729.db2.gz ZBGFFEXKXWPMGK-SOFGYWHQSA-N 0 0 316.744 4.209 10 5 DIBERN O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cl)c1ccccc1 ZINC000005603772 181263110 /nfs/dbraw/zinc/26/31/10/181263110.db2.gz JMTGFQKLNXSSCD-UHFFFAOYSA-N 0 0 311.124 4.049 10 5 DIBERN CC(C)(C)C(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005726537 181277089 /nfs/dbraw/zinc/27/70/89/181277089.db2.gz PNBRAPKATDCCCX-UHFFFAOYSA-N 0 0 312.369 4.174 10 5 DIBERN O=C(Cc1ccccc1)n1c2ccccc2c(=O)c2ccccc21 ZINC000005736374 181278862 /nfs/dbraw/zinc/27/88/62/181278862.db2.gz NQWAGZWGHYXPLL-UHFFFAOYSA-N 0 0 313.356 4.038 10 5 DIBERN CC(=O)N1C=C(c2ccc([N+](=O)[O-])cc2)Sc2ccccc21 ZINC000090759581 192929276 /nfs/dbraw/zinc/92/92/76/192929276.db2.gz YTOQQYBRKSPTPM-UHFFFAOYSA-N 0 0 312.350 4.052 10 5 DIBERN Cc1cccc(NC(=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000006860362 181398516 /nfs/dbraw/zinc/39/85/16/181398516.db2.gz BEEJPXZKMJYYEU-QGZVFWFLSA-N 0 0 312.369 4.282 10 5 DIBERN CC(=O)c1cc(F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019230791 182109654 /nfs/dbraw/zinc/10/96/54/182109654.db2.gz KXMGLCUHMJFERE-UHFFFAOYSA-N 0 0 309.680 4.382 10 5 DIBERN O=C(CSc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1 ZINC000037352204 182883281 /nfs/dbraw/zinc/88/32/81/182883281.db2.gz DHLVYQRJKYZKOR-UHFFFAOYSA-N 0 0 313.787 4.285 10 5 DIBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(Cl)c(Cl)c1 ZINC000040571167 183103929 /nfs/dbraw/zinc/10/39/29/183103929.db2.gz PXTLLHCUQJXJTI-UHFFFAOYSA-N 0 0 319.535 4.089 10 5 DIBERN Cc1ccc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1C ZINC000040581922 183104884 /nfs/dbraw/zinc/10/48/84/183104884.db2.gz IOQOQGKLTGATCT-UHFFFAOYSA-N 0 0 316.361 4.004 10 5 DIBERN CC(C)Nc1ncnc(Sc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000040597284 183107275 /nfs/dbraw/zinc/10/72/75/183107275.db2.gz KURLEWGMKJGCAN-UHFFFAOYSA-N 0 0 324.793 4.010 10 5 DIBERN O=[N+]([O-])c1ccc(-c2cn3cc(Cl)cc(Cl)c3n2)cc1 ZINC000040715139 183122552 /nfs/dbraw/zinc/12/25/52/183122552.db2.gz RWVZUNNYQRQUFH-UHFFFAOYSA-N 0 0 308.124 4.216 10 5 DIBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccco1 ZINC000035135120 331477104 /nfs/dbraw/zinc/47/71/04/331477104.db2.gz ZEIJOLDEGHCMLQ-MRVPVSSYSA-N 0 0 300.236 4.380 10 5 DIBERN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000035135116 331477200 /nfs/dbraw/zinc/47/72/00/331477200.db2.gz WUIFLKBLMHGFMV-MRVPVSSYSA-N 0 0 300.236 4.380 10 5 DIBERN CCOc1cc(NCc2sccc2CC)ccc1[N+](=O)[O-] ZINC000094882791 333460498 /nfs/dbraw/zinc/46/04/98/333460498.db2.gz MRAJYQBWCNSFOJ-UHFFFAOYSA-N 0 0 306.387 4.230 10 5 DIBERN Cc1ccc([C@@H]2CCCN2c2ncc([N+](=O)[O-])cc2Cl)s1 ZINC000301281970 336298677 /nfs/dbraw/zinc/29/86/77/336298677.db2.gz OTILLFYVKREFGP-LBPRGKRZSA-N 0 0 323.805 4.355 10 5 DIBERN Cc1cccnc1[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)C(C)C ZINC000301295222 336299364 /nfs/dbraw/zinc/29/93/64/336299364.db2.gz XCFAEGBQVMIGQP-ZDUSSCGKSA-N 0 0 320.780 4.156 10 5 DIBERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ncc(C)cc2[N+](=O)[O-])o1 ZINC000301430833 336306309 /nfs/dbraw/zinc/30/63/09/336306309.db2.gz IQDVTXBDQBOEJV-SMDDNHRTSA-N 0 0 315.373 4.177 10 5 DIBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)c2cccs2)c1 ZINC000301451323 336307588 /nfs/dbraw/zinc/30/75/88/336307588.db2.gz ACNMFVXKOZNGJB-SECBINFHSA-N 0 0 310.350 4.020 10 5 DIBERN CCc1sc([C@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1C ZINC000301790050 336330022 /nfs/dbraw/zinc/33/00/22/336330022.db2.gz YQVWOYPBEDWQSQ-NSHDSACASA-N 0 0 305.403 4.404 10 5 DIBERN Cc1csc(C2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)n1 ZINC000301816885 336332089 /nfs/dbraw/zinc/33/20/89/336332089.db2.gz JTXBQRYVPFQMQP-UHFFFAOYSA-N 0 0 317.414 4.052 10 5 DIBERN Cc1cc([N+](=O)[O-])cnc1N[C@@H](c1cc(F)ccc1F)C1CC1 ZINC000301948627 336339500 /nfs/dbraw/zinc/33/95/00/336339500.db2.gz FJLBYKMIVUFZJC-OAHLLOKOSA-N 0 0 319.311 4.140 10 5 DIBERN CCc1sc([C@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])cc1C ZINC000302064606 336346474 /nfs/dbraw/zinc/34/64/74/336346474.db2.gz TXQRMGRKNSCVGD-NSHDSACASA-N 0 0 320.414 4.193 10 5 DIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)c1cccs1 ZINC000302166630 336351859 /nfs/dbraw/zinc/35/18/59/336351859.db2.gz RSYPSXXAQVLNBX-MRVPVSSYSA-N 0 0 314.313 4.431 10 5 DIBERN CC[C@@H](Nc1noc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000302233223 336355434 /nfs/dbraw/zinc/35/54/34/336355434.db2.gz FUDKEWWYFINXKO-OAHLLOKOSA-N 0 0 324.340 4.208 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N(Cc1ccco1)Cc1ccco1 ZINC000302787177 336369128 /nfs/dbraw/zinc/36/91/28/336369128.db2.gz AAGIJCJXJZUZAY-UHFFFAOYSA-N 0 0 316.288 4.127 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@@H]1c1cccc(F)c1 ZINC000302789948 336369245 /nfs/dbraw/zinc/36/92/45/336369245.db2.gz FWZNQHGZZHISLX-CQSZACIVSA-N 0 0 304.296 4.215 10 5 DIBERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000193911589 337080568 /nfs/dbraw/zinc/08/05/68/337080568.db2.gz LBNGGAHYMSWJJY-GFCCVEGCSA-N 0 0 309.325 4.423 10 5 DIBERN CCCN(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000584593001 337373614 /nfs/dbraw/zinc/37/36/14/337373614.db2.gz YSFSPJGBOZDXSE-UHFFFAOYSA-N 0 0 301.302 4.051 10 5 DIBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@H]1c1ccco1 ZINC000116263135 337392597 /nfs/dbraw/zinc/39/25/97/337392597.db2.gz ZNVOLANCJUUJQQ-CQSZACIVSA-N 0 0 309.325 4.078 10 5 DIBERN Cc1cc(NCc2csc(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000163146442 338694260 /nfs/dbraw/zinc/69/42/60/338694260.db2.gz JEOXUVBUYVVGJL-UHFFFAOYSA-N 0 0 305.403 4.269 10 5 DIBERN CC(C)(C)c1nc(CNc2ccc(F)cc2[N+](=O)[O-])cs1 ZINC000134223677 341210014 /nfs/dbraw/zinc/21/00/14/341210014.db2.gz QFBRSVMSVTWITH-UHFFFAOYSA-N 0 0 309.366 4.100 10 5 DIBERN Cc1cc2ncc([N+](=O)[O-])c(Cl)c2c(C)c1Br ZINC000232048271 563421216 /nfs/dbraw/zinc/42/12/16/563421216.db2.gz ZOWVDOXADXRQQR-UHFFFAOYSA-N 0 0 315.554 4.176 10 5 DIBERN C[N@@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1 ZINC000616451385 717187715 /nfs/dbraw/zinc/18/77/15/717187715.db2.gz MHRRFCRDWNIBSU-YZVOILCLSA-N 0 0 302.781 4.163 10 5 DIBERN C[C@](OCC[N+](C)(C)[O-])(c1ccccc1)c1ccc(Cl)cc1 ZINC000757115615 717188996 /nfs/dbraw/zinc/18/89/96/717188996.db2.gz SHOGSJKUFBORHU-SFHVURJKSA-N 0 0 319.832 4.194 10 5 DIBERN O=[N+]([O-])c1cccc(-c2cc(Cl)c3cccnc3c2O)c1 ZINC000090367560 185292933 /nfs/dbraw/zinc/29/29/33/185292933.db2.gz BUHMVDAJAGIGQO-UHFFFAOYSA-N 0 0 300.701 4.169 10 5 DIBERN CC(=O)Oc1cc([N+](=O)[O-])c2ccc3cccc4ccc1c2c43 ZINC000005166802 181212468 /nfs/dbraw/zinc/21/24/68/181212468.db2.gz MLXPFKTZYAVEFB-UHFFFAOYSA-N 0 0 305.289 4.418 10 5 DIBERN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000005559595 181257408 /nfs/dbraw/zinc/25/74/08/181257408.db2.gz KPGRDECBJSZTAK-CYBMUJFWSA-N 0 0 320.348 4.239 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(Cl)=C/c1ccccc1 ZINC000005960377 181301307 /nfs/dbraw/zinc/30/13/07/181301307.db2.gz QGXFVFPOTFECDV-UVTDQMKNSA-N 0 0 316.744 4.122 10 5 DIBERN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000006151841 181316438 /nfs/dbraw/zinc/31/64/38/181316438.db2.gz WWXFAJQTWLGCOY-ZDUSSCGKSA-N 0 0 320.348 4.239 10 5 DIBERN O=[N+]([O-])c1ccc(Oc2ccc(Cl)c(Cl)c2)c(CO)c1 ZINC000038001515 182957792 /nfs/dbraw/zinc/95/77/92/182957792.db2.gz JFIQOQFWXVOUIT-UHFFFAOYSA-N 0 0 314.124 4.186 10 5 DIBERN O=[N+]([O-])c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn21 ZINC000040964383 183152266 /nfs/dbraw/zinc/15/22/66/183152266.db2.gz DIZIWGFCCZUFCA-UHFFFAOYSA-N 0 0 313.313 4.263 10 5 DIBERN CCCCCCNc1cc([N+](=O)[O-])ccc1Br ZINC000041578976 183206425 /nfs/dbraw/zinc/20/64/25/183206425.db2.gz WHBXGUGROGGUIE-UHFFFAOYSA-N 0 0 301.184 4.350 10 5 DIBERN O=[N+]([O-])c1c(Cl)ncnc1Oc1cc(Cl)cc(Cl)c1 ZINC000050454600 183786795 /nfs/dbraw/zinc/78/67/95/183786795.db2.gz ZFOXYQVSHNZZMY-UHFFFAOYSA-N 0 0 320.519 4.137 10 5 DIBERN CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000049531286 332315821 /nfs/dbraw/zinc/31/58/21/332315821.db2.gz QVHRPGXKJZDLBU-JTQLQIEISA-N 0 0 307.331 4.128 10 5 DIBERN COc1ccc([N+](=O)[O-])c(N[C@H](C)c2ccccc2Cl)c1 ZINC000096470485 335816468 /nfs/dbraw/zinc/81/64/68/335816468.db2.gz DRBMKCXJWJBXBC-SNVBAGLBSA-N 0 0 306.749 4.430 10 5 DIBERN O=[N+]([O-])c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)cc1C(F)(F)F ZINC000301469738 336308792 /nfs/dbraw/zinc/30/87/92/336308792.db2.gz IHMCRMXOZZHIQQ-GHMZBOCLSA-N 0 0 312.291 4.016 10 5 DIBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000301502636 336310916 /nfs/dbraw/zinc/31/09/16/336310916.db2.gz FPSQIBQTTMEFDY-RKDXNWHRSA-N 0 0 306.259 4.267 10 5 DIBERN Cc1cc(NCc2cc(Cl)c(Cl)n2C)ccc1[N+](=O)[O-] ZINC000301626774 336319087 /nfs/dbraw/zinc/31/90/87/336319087.db2.gz HNMCPCVBBLZOBB-UHFFFAOYSA-N 0 0 314.172 4.161 10 5 DIBERN C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccco1 ZINC000301863755 336334916 /nfs/dbraw/zinc/33/49/16/336334916.db2.gz GCYQXHSMHIDQRL-GFCCVEGCSA-N 0 0 309.325 4.423 10 5 DIBERN C[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1 ZINC000301953866 336339659 /nfs/dbraw/zinc/33/96/59/336339659.db2.gz JULOHEKVMCGACI-ZDUSSCGKSA-N 0 0 322.368 4.056 10 5 DIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)c1cccs1 ZINC000302166631 336351962 /nfs/dbraw/zinc/35/19/62/336351962.db2.gz RSYPSXXAQVLNBX-QMMMGPOBSA-N 0 0 314.313 4.431 10 5 DIBERN CC(C)c1nc(CNc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000302788984 336369296 /nfs/dbraw/zinc/36/92/96/336369296.db2.gz XPLGUSRZGMRZSB-UHFFFAOYSA-N 0 0 311.794 4.440 10 5 DIBERN COc1ccccc1[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034979336 336384830 /nfs/dbraw/zinc/38/48/30/336384830.db2.gz PSHJFHGFNHFVQW-SNVBAGLBSA-N 0 0 306.749 4.430 10 5 DIBERN Cc1cc(NC2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000070285555 340992931 /nfs/dbraw/zinc/99/29/31/340992931.db2.gz BWUPIOCAUXFGMD-UHFFFAOYSA-N 0 0 302.296 4.436 10 5 DIBERN COc1ccc(-c2cc(Cl)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000048523877 563698936 /nfs/dbraw/zinc/69/89/36/563698936.db2.gz CJGKUVJCUCJLAH-UHFFFAOYSA-N 0 0 314.728 4.472 10 5 DIBERN C[C@H](CN1c2ccccc2CCc2ccccc21)C[N+](C)(C)[O-] ZINC000065748981 717132342 /nfs/dbraw/zinc/13/23/42/717132342.db2.gz UNOPAPJVNIQNJP-MRXNPFEDSA-N 0 0 310.441 4.134 10 5 DIBERN C[N@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1 ZINC000248051826 717164345 /nfs/dbraw/zinc/16/43/45/717164345.db2.gz NKNYMFHSPDODLJ-DOXZYTNZSA-N 0 0 301.773 4.271 10 5 DIBERN Cc1cc(C)c2occ(/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)c2c1 ZINC000090376394 185293261 /nfs/dbraw/zinc/29/32/61/185293261.db2.gz SSLPPRAAZGHRTL-ZZXKWVIFSA-N 0 0 321.332 4.488 10 5 DIBERN O=Cc1c2ccccc2[nH]c1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000090668630 185308870 /nfs/dbraw/zinc/30/88/70/185308870.db2.gz KZTZJWKGGRNBAN-UHFFFAOYSA-N 0 0 300.701 4.209 10 5 DIBERN Cc1ccc(NC(=S)Nc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000006964914 190626996 /nfs/dbraw/zinc/62/69/96/190626996.db2.gz WYQLXOZPRKUINC-UHFFFAOYSA-N 0 0 301.371 4.021 10 5 DIBERN O=C1NC(=O)C(=Cc2c3ccccc3cc3ccccc32)S1 ZINC000004017918 181063208 /nfs/dbraw/zinc/06/32/08/181063208.db2.gz MUPCQOPJEWLLSO-MHWRWJLKSA-N 0 0 305.358 4.317 10 5 DIBERN CCN(C(=O)N(CC)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000005851310 181289900 /nfs/dbraw/zinc/28/99/00/181289900.db2.gz MWQXCGJYCCBRJK-UHFFFAOYSA-N 0 0 313.357 4.068 10 5 DIBERN CC(C)c1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006307534 181328584 /nfs/dbraw/zinc/32/85/84/181328584.db2.gz HLXNJOVVRFLABR-VAWYXSNFSA-N 0 0 310.353 4.370 10 5 DIBERN O=C(c1cccc(F)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000040423556 183065309 /nfs/dbraw/zinc/06/53/09/183065309.db2.gz WLVWRRISLCJTLD-UHFFFAOYSA-N 0 0 318.303 4.316 10 5 DIBERN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 ZINC000035135115 331477205 /nfs/dbraw/zinc/47/72/05/331477205.db2.gz WUIFLKBLMHGFMV-QMMMGPOBSA-N 0 0 300.236 4.380 10 5 DIBERN C[C@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000390693737 333315776 /nfs/dbraw/zinc/31/57/76/333315776.db2.gz BSWAYYQIQTZVHQ-GFCCVEGCSA-N 0 0 320.776 4.265 10 5 DIBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)c(C(F)(F)F)c1 ZINC000301414427 336305278 /nfs/dbraw/zinc/30/52/78/336305278.db2.gz LNPAPYQBENHVPS-QWRGUYRKSA-N 0 0 312.291 4.016 10 5 DIBERN CCc1ccc([C@@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000301429203 336306131 /nfs/dbraw/zinc/30/61/31/336306131.db2.gz IVDQWXUMUSDHRS-AWEZNQCLSA-N 0 0 315.373 4.185 10 5 DIBERN Cc1ccc(N[C@H](C)c2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000301470460 336308869 /nfs/dbraw/zinc/30/88/69/336308869.db2.gz IZTUIEJWHZCHCX-CQSZACIVSA-N 0 0 322.368 4.262 10 5 DIBERN C[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Nc1ccccc1 ZINC000301548861 336314085 /nfs/dbraw/zinc/31/40/85/336314085.db2.gz GCYNDTSEYQMKRJ-ZDUSSCGKSA-N 0 0 322.368 4.056 10 5 DIBERN CCc1sc([C@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1C ZINC000301774508 336328928 /nfs/dbraw/zinc/32/89/28/336328928.db2.gz MZDGXBQROYCLRD-NSHDSACASA-N 0 0 305.403 4.404 10 5 DIBERN O=[N+]([O-])c1ccc(Oc2c(F)cccc2F)cc1OC(F)F ZINC000301919860 336338083 /nfs/dbraw/zinc/33/80/83/336338083.db2.gz DGENNIKIPAEWLI-UHFFFAOYSA-N 0 0 317.194 4.267 10 5 DIBERN COc1cccc(N[C@@H](C)c2csc(C(C)C)n2)c1[N+](=O)[O-] ZINC000302713018 336366236 /nfs/dbraw/zinc/36/62/36/336366236.db2.gz DXGLVJDBCBVNQS-JTQLQIEISA-N 0 0 321.402 4.356 10 5 DIBERN COc1cccc([C@H]2CCCN2c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302870379 336372625 /nfs/dbraw/zinc/37/26/25/336372625.db2.gz YHAIJDKKXVBKEU-OAHLLOKOSA-N 0 0 316.332 4.084 10 5 DIBERN COc1ccccc1[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000034979334 336384818 /nfs/dbraw/zinc/38/48/18/336384818.db2.gz PSHJFHGFNHFVQW-JTQLQIEISA-N 0 0 306.749 4.430 10 5 DIBERN CC[C@@H](NC(=O)Nc1ccc(C)s1)c1cccc([N+](=O)[O-])c1 ZINC000175187119 340404958 /nfs/dbraw/zinc/40/49/58/340404958.db2.gz WPRHLYULOSJGTA-CYBMUJFWSA-N 0 0 319.386 4.238 10 5 DIBERN CCC1CCC(NC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000186088561 340508083 /nfs/dbraw/zinc/50/80/83/340508083.db2.gz YJKYPFBGUXACHK-UHFFFAOYSA-N 0 0 322.430 4.015 10 5 DIBERN CC[C@@H](N[C@@H](C)c1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000161604381 522913814 /nfs/dbraw/zinc/91/38/14/522913814.db2.gz QZNTUOCFICPFDG-XHDPSFHLSA-N 0 0 319.792 4.445 10 5 DIBERN Cc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127654712 524447035 /nfs/dbraw/zinc/44/70/35/524447035.db2.gz SYJDROMUVHJSRV-CQSZACIVSA-N 0 0 317.414 4.087 10 5 DIBERN Cc1nc([C@@H]2CCCN2Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000189785032 527051854 /nfs/dbraw/zinc/05/18/54/527051854.db2.gz FRXMKKCFZRNKDX-INIZCTEOSA-N 0 0 317.414 4.005 10 5 DIBERN O=[N+]([O-])c1cnc2ccc(OCc3ccccc3)cc2c1Cl ZINC000090469394 563913710 /nfs/dbraw/zinc/91/37/10/563913710.db2.gz JRVDRDOKUFYSID-UHFFFAOYSA-N 0 0 314.728 4.375 10 5 DIBERN O=C(OC1CCCC1)n1c2ccc([N+](=O)[O-])cc2sc1=S ZINC000048523414 563923952 /nfs/dbraw/zinc/92/39/52/563923952.db2.gz XHRPHIBWPOXSGK-UHFFFAOYSA-N 0 0 324.383 4.268 10 5 DIBERN C[C@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)[O-] ZINC000575417750 717184335 /nfs/dbraw/zinc/18/43/35/717184335.db2.gz SMOIYOYDKDDTCK-CYBMUJFWSA-N 0 0 301.435 4.143 10 5 DIBERN CC(C)CCOC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000070167259 190865959 /nfs/dbraw/zinc/86/59/59/190865959.db2.gz DAWUYNVDQLGMBF-UHFFFAOYSA-N 0 0 306.145 4.105 10 5 DIBERN Cc1ccc2c(c1)NC(=O)CC(/C=C/c1cccc([N+](=O)[O-])c1)=N2 ZINC000072236421 191079955 /nfs/dbraw/zinc/07/99/55/191079955.db2.gz FEUAOUMRVQWHMN-VOTSOKGWSA-N 0 0 321.336 4.031 10 5 DIBERN Cc1ccc2c(c1)NC(=O)CC(/C=C/c1ccc([N+](=O)[O-])cc1)=N2 ZINC000005417930 181241192 /nfs/dbraw/zinc/24/11/92/181241192.db2.gz NHIVSBUIKLXCNM-ZZXKWVIFSA-N 0 0 321.336 4.031 10 5 DIBERN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 ZINC000005559593 181257401 /nfs/dbraw/zinc/25/74/01/181257401.db2.gz KPGRDECBJSZTAK-ZDUSSCGKSA-N 0 0 320.348 4.239 10 5 DIBERN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000005568627 181258716 /nfs/dbraw/zinc/25/87/16/181258716.db2.gz CILHEFURGMLGJN-UHFFFAOYSA-N 0 0 311.124 4.154 10 5 DIBERN Cc1c2cc(C)ccc2oc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006860154 181398376 /nfs/dbraw/zinc/39/83/76/181398376.db2.gz NMYDLIYYJIIQJA-UHFFFAOYSA-N 0 0 310.309 4.210 10 5 DIBERN O=C(/C=C/c1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000011097945 181684737 /nfs/dbraw/zinc/68/47/37/181684737.db2.gz NXKGLIBLJKZFFI-QPJJXVBHSA-N 0 0 320.707 4.039 10 5 DIBERN COc1ccc(Cl)cc1CNc1cc([N+](=O)[O-])ccc1C ZINC000037980904 182951773 /nfs/dbraw/zinc/95/17/73/182951773.db2.gz RJKZUWNSNMJPHC-UHFFFAOYSA-N 0 0 306.749 4.177 10 5 DIBERN Cc1ccc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040648981 183114445 /nfs/dbraw/zinc/11/44/45/183114445.db2.gz RXZZRRHGBPROHM-UHFFFAOYSA-N 0 0 322.324 4.229 10 5 DIBERN Cc1ccc(Oc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040659710 183114896 /nfs/dbraw/zinc/11/48/96/183114896.db2.gz TWASAWAXHHMKFW-UHFFFAOYSA-N 0 0 323.308 4.278 10 5 DIBERN Cc1c(-c2ccccc2)nc2sc3cc([N+](=O)[O-])ccc3n12 ZINC000040964377 183151966 /nfs/dbraw/zinc/15/19/66/183151966.db2.gz WIFGRBPLPRNGLE-UHFFFAOYSA-N 0 0 309.350 4.433 10 5 DIBERN CCC(CC)c1nn2cc(-c3cccc([N+](=O)[O-])c3)nc2s1 ZINC000040963858 183152035 /nfs/dbraw/zinc/15/20/35/183152035.db2.gz NROXNYTYANGDFW-UHFFFAOYSA-N 0 0 316.386 4.270 10 5 DIBERN Cc1ccc(-c2cn3c4ccc([N+](=O)[O-])cc4sc3n2)cc1 ZINC000040964404 183152429 /nfs/dbraw/zinc/15/24/29/183152429.db2.gz VBIQJOKZTOTEEW-UHFFFAOYSA-N 0 0 309.350 4.433 10 5 DIBERN O=[N+]([O-])c1ccc(N[C@@H]2CCOc3ccccc32)c(Cl)c1 ZINC000034980697 331464390 /nfs/dbraw/zinc/46/43/90/331464390.db2.gz MOISVSORAYXFHQ-CYBMUJFWSA-N 0 0 304.733 4.184 10 5 DIBERN COc1cc(N[C@@H](C)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000111047459 333054917 /nfs/dbraw/zinc/05/49/17/333054917.db2.gz YWSKIOFRSMHDKR-JTQLQIEISA-N 0 0 306.749 4.430 10 5 DIBERN CCN(c1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)c1cccnc1 ZINC000301298594 336299659 /nfs/dbraw/zinc/29/96/59/336299659.db2.gz QBYIYLGYDJSONP-NSHDSACASA-N 0 0 305.765 4.231 10 5 DIBERN O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000301502634 336310837 /nfs/dbraw/zinc/31/08/37/336310837.db2.gz FPSQIBQTTMEFDY-DTWKUNHWSA-N 0 0 306.259 4.267 10 5 DIBERN COCC[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000301629278 336319318 /nfs/dbraw/zinc/31/93/18/336319318.db2.gz IIHCRCYYHOMDPI-MRXNPFEDSA-N 0 0 320.776 4.438 10 5 DIBERN Cc1cc(N[C@H]2CC(C)(C)Oc3ccccc32)ncc1[N+](=O)[O-] ZINC000301636140 336319803 /nfs/dbraw/zinc/31/98/03/336319803.db2.gz FDOYNGTXXPEZMK-ZDUSSCGKSA-N 0 0 313.357 4.013 10 5 DIBERN Cc1cc(N2CCC[C@@H]2c2ccco2)c2cccc([N+](=O)[O-])c2n1 ZINC000302046170 336345304 /nfs/dbraw/zinc/34/53/04/336345304.db2.gz YEWAEEPZTWLFIN-CQSZACIVSA-N 0 0 323.352 4.386 10 5 DIBERN CCc1sc([C@@H](C)Nc2cc(CO)ccc2[N+](=O)[O-])cc1C ZINC000302064605 336346481 /nfs/dbraw/zinc/34/64/81/336346481.db2.gz TXQRMGRKNSCVGD-LLVKDONJSA-N 0 0 320.414 4.193 10 5 DIBERN C[C@@H](Nc1ncc([N+](=O)[O-])cn1)c1ccc(-c2ccccc2)cc1 ZINC000302107809 336348852 /nfs/dbraw/zinc/34/88/52/336348852.db2.gz AOKUNMSCKVPCCF-CYBMUJFWSA-N 0 0 320.352 4.225 10 5 DIBERN O=[N+]([O-])c1ccc2c(c1N[C@H]1CCCc3ccccc31)CCN2 ZINC000302468923 336359394 /nfs/dbraw/zinc/35/93/94/336359394.db2.gz TUPKGSYJAFFPLS-INIZCTEOSA-N 0 0 309.369 4.052 10 5 DIBERN COc1ccc(F)cc1[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302820484 336370579 /nfs/dbraw/zinc/37/05/79/336370579.db2.gz PIMINPDEAVWWEQ-VIFPVBQESA-N 0 0 308.284 4.055 10 5 DIBERN CCCN(C(=O)c1ccc2cc[nH]c2c1)c1cccc([N+](=O)[O-])c1 ZINC000194142206 337081903 /nfs/dbraw/zinc/08/19/03/337081903.db2.gz AXIZZYXSNSEJNL-UHFFFAOYSA-N 0 0 323.352 4.133 10 5 DIBERN CC(=O)c1ccc2c(O)cc3c(=O)c4ccccc4oc3c2c1 ZINC000584640127 337379929 /nfs/dbraw/zinc/37/99/29/337379929.db2.gz AKQOJQOZEGUKLD-UHFFFAOYSA-N 0 0 304.301 4.008 10 5 DIBERN Cc1ccc([C@@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000078422895 337599577 /nfs/dbraw/zinc/59/95/77/337599577.db2.gz VGRQLVGQVQNACZ-CYBMUJFWSA-N 0 0 302.374 4.470 10 5 DIBERN O=[N+]([O-])c1ccc(-c2c(F)cccc2Br)cc1F ZINC000536958040 337868625 /nfs/dbraw/zinc/86/86/25/337868625.db2.gz JCAMXBFCNOWVQQ-UHFFFAOYSA-N 0 0 314.085 4.303 10 5 DIBERN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1[N+](=O)[O-] ZINC000152614712 521226928 /nfs/dbraw/zinc/22/69/28/521226928.db2.gz BTSUORBKTHSWTA-OLZOCXBDSA-N 0 0 318.373 4.307 10 5 DIBERN Cc1ccc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000182578291 525731446 /nfs/dbraw/zinc/73/14/46/525731446.db2.gz FVTCJFOJNYIQDK-CYBMUJFWSA-N 0 0 318.373 4.134 10 5 DIBERN Cc1c(F)c(Br)cc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000584882213 563425969 /nfs/dbraw/zinc/42/59/69/563425969.db2.gz UTLSFQKTPLZYGB-UHFFFAOYSA-N 0 0 319.517 4.006 10 5 DIBERN O=c1c(-c2ccccc2)c(O)c2cccc3c4ccccc4n1c32 ZINC000033377110 563445621 /nfs/dbraw/zinc/44/56/21/563445621.db2.gz AWYXUZHAOIWLOY-UHFFFAOYSA-N 0 0 311.340 4.416 10 5 DIBERN O=[N+]([O-])c1cnc2c(Br)ccc(Cl)c2c1Cl ZINC000165882686 563908070 /nfs/dbraw/zinc/90/80/70/563908070.db2.gz KNQSORZDHUOKIY-UHFFFAOYSA-N 0 0 321.945 4.212 10 5 DIBERN C[N+](C)([O-])CCCN1c2ccccc2Sc2ccccc21 ZINC000197059405 717158923 /nfs/dbraw/zinc/15/89/23/717158923.db2.gz GZWABPMNIWJSFO-UHFFFAOYSA-N 0 0 300.427 4.254 10 5 DIBERN C[C@@H](CN1c2ccccc2CCc2ccccc21)C[N+](C)(C)[O-] ZINC000065748980 717132553 /nfs/dbraw/zinc/13/25/53/717132553.db2.gz UNOPAPJVNIQNJP-INIZCTEOSA-N 0 0 310.441 4.134 10 5 DIBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCCC(C)(C)C1 ZINC000408442202 1042440716 /nfs/dbraw/zinc/44/07/16/1042440716.db2.gz JHOLGARKCZBLMK-UHFFFAOYSA-N 0 0 319.405 4.256 10 5 DIBERN Cc1ccc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000072443523 191168677 /nfs/dbraw/zinc/16/86/77/191168677.db2.gz WSMMODZTWKDOEL-UHFFFAOYSA-N 0 0 306.325 4.104 10 5 DIBERN O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(F)c(Cl)c1 ZINC000003565857 181035809 /nfs/dbraw/zinc/03/58/09/181035809.db2.gz KAXKBIGXMNXGET-VMPITWQZSA-N 0 0 320.707 4.039 10 5 DIBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccccc3C(F)(F)F)c2c1 ZINC000091364364 193046252 /nfs/dbraw/zinc/04/62/52/193046252.db2.gz BWFPXOUMSDXNJK-UHFFFAOYSA-N 0 0 307.231 4.157 10 5 DIBERN CC(C)(C)OP(=O)(OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000261507984 203073953 /nfs/dbraw/zinc/07/39/53/203073953.db2.gz OOZDJDXMFVMWQG-UHFFFAOYSA-N 0 0 315.306 4.043 10 5 DIBERN Cc1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000013811978 181900061 /nfs/dbraw/zinc/90/00/61/181900061.db2.gz ZYGZBQYIYYQPSE-UHFFFAOYSA-N 0 0 321.789 4.366 10 5 DIBERN C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000014424680 181951580 /nfs/dbraw/zinc/95/15/80/181951580.db2.gz WDANENPGIVERMN-CYBMUJFWSA-N 0 0 320.348 4.239 10 5 DIBERN Cc1sc2ncnc(Nc3cc([N+](=O)[O-])ccc3C)c2c1C ZINC000019958690 182170080 /nfs/dbraw/zinc/17/00/80/182170080.db2.gz RZCIWFPFOPVPQF-UHFFFAOYSA-N 0 0 314.370 4.268 10 5 DIBERN O=[N+]([O-])c1cccc(NC=C2c3ccccc3-c3ncccc32)c1 ZINC000101390073 193812938 /nfs/dbraw/zinc/81/29/38/193812938.db2.gz ICNXABJJSRKYSM-PDGQHHTCSA-N 0 0 315.332 4.472 10 5 DIBERN CCc1ccc2oc(C(=O)Nc3ccccc3[N+](=O)[O-])c(C)c2c1 ZINC000040037311 183028622 /nfs/dbraw/zinc/02/86/22/183028622.db2.gz GZHUHELYLKIOTJ-UHFFFAOYSA-N 0 0 324.336 4.464 10 5 DIBERN CCCNc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586529 183106163 /nfs/dbraw/zinc/10/61/63/183106163.db2.gz FDHRBUAWLKZRRY-UHFFFAOYSA-N 0 0 324.340 4.152 10 5 DIBERN O=[N+]([O-])c1cccc(-c2cn3cc(Cl)cc(Cl)c3n2)c1 ZINC000040715141 183122489 /nfs/dbraw/zinc/12/24/89/183122489.db2.gz BEOZINXNJZWYKP-UHFFFAOYSA-N 0 0 308.124 4.216 10 5 DIBERN CCC(CC)c1nn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1 ZINC000040963855 183152268 /nfs/dbraw/zinc/15/22/68/183152268.db2.gz ANQMJAPDCSMYMB-UHFFFAOYSA-N 0 0 316.386 4.270 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000040995193 183155400 /nfs/dbraw/zinc/15/54/00/183155400.db2.gz VGZARCVZUFNDAN-UHFFFAOYSA-N 0 0 318.760 4.128 10 5 DIBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H]2CCCC[C@H]21 ZINC000043010153 332259469 /nfs/dbraw/zinc/25/94/69/332259469.db2.gz PDTHKAOEAQEQOH-SMDDNHRTSA-N 0 0 322.792 4.043 10 5 DIBERN CC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(F)c1 ZINC000021502654 333388466 /nfs/dbraw/zinc/38/84/66/333388466.db2.gz VMIMHRSRRZQMAZ-UHFFFAOYSA-N 0 0 309.680 4.382 10 5 DIBERN O=[N+]([O-])c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000301414425 336305262 /nfs/dbraw/zinc/30/52/62/336305262.db2.gz LNPAPYQBENHVPS-GHMZBOCLSA-N 0 0 312.291 4.016 10 5 DIBERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2ncc(C)cc2[N+](=O)[O-])o1 ZINC000301430830 336306375 /nfs/dbraw/zinc/30/63/75/336306375.db2.gz IQDVTXBDQBOEJV-RISCZKNCSA-N 0 0 315.373 4.177 10 5 DIBERN C[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Nc1ccccc1 ZINC000301548860 336314088 /nfs/dbraw/zinc/31/40/88/336314088.db2.gz GCYNDTSEYQMKRJ-CYBMUJFWSA-N 0 0 322.368 4.056 10 5 DIBERN Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)o1 ZINC000301702652 336324391 /nfs/dbraw/zinc/32/43/91/336324391.db2.gz ACFKOGVPIZBAGJ-SECBINFHSA-N 0 0 312.272 4.271 10 5 DIBERN CC(=O)Nc1c(C)cc(Nc2ccc(C)cc2[N+](=O)[O-])cc1C ZINC000301814843 336331955 /nfs/dbraw/zinc/33/19/55/336331955.db2.gz IKFVSOWLTSCALN-UHFFFAOYSA-N 0 0 313.357 4.222 10 5 DIBERN C[C@H](Nc1ccccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000301853460 336334298 /nfs/dbraw/zinc/33/42/98/336334298.db2.gz QFXBXELJGYPPRU-AWEZNQCLSA-N 0 0 322.368 4.013 10 5 DIBERN CC[C@H](Nc1noc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000302233222 336355406 /nfs/dbraw/zinc/35/54/06/336355406.db2.gz FUDKEWWYFINXKO-HNNXBMFYSA-N 0 0 324.340 4.208 10 5 DIBERN O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCCc3ccccc31)CCN2 ZINC000302468924 336359460 /nfs/dbraw/zinc/35/94/60/336359460.db2.gz TUPKGSYJAFFPLS-MRXNPFEDSA-N 0 0 309.369 4.052 10 5 DIBERN O=C1CCc2cc(Oc3ccc4ncccc4c3[N+](=O)[O-])ccc21 ZINC000302522760 336360871 /nfs/dbraw/zinc/36/08/71/336360871.db2.gz JGOWFRXVOVUMLU-UHFFFAOYSA-N 0 0 320.304 4.064 10 5 DIBERN COc1ccc([C@H]2CCCN2c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302870048 336372608 /nfs/dbraw/zinc/37/26/08/336372608.db2.gz XXXYXDHFXUDNGS-OAHLLOKOSA-N 0 0 316.332 4.084 10 5 DIBERN C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000035135138 336401595 /nfs/dbraw/zinc/40/15/95/336401595.db2.gz NEHORIQSWIVZIA-MRVPVSSYSA-N 0 0 311.135 4.123 10 5 DIBERN Cc1ccc(Cl)c2c(=O)c3cc([N+](=O)[O-])ccc3sc12 ZINC000584590601 337370178 /nfs/dbraw/zinc/37/01/78/337370178.db2.gz KGGQEKKKSAFRBP-UHFFFAOYSA-N 0 0 305.742 4.285 10 5 DIBERN O=[N+]([O-])c1ccc(OC2(Sc3ccccc3)CC2)nc1Cl ZINC000584648767 337380435 /nfs/dbraw/zinc/38/04/35/337380435.db2.gz PKHQNXVDRMHGPI-UHFFFAOYSA-N 0 0 322.773 4.304 10 5 DIBERN COc1cc([N+](=O)[O-])c2nccc(C)c2c1Oc1ccccc1 ZINC000584651488 337380942 /nfs/dbraw/zinc/38/09/42/337380942.db2.gz YZHLBNUXAWATBA-UHFFFAOYSA-N 0 0 310.309 4.252 10 5 DIBERN COc1cccc(N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000134908229 341226415 /nfs/dbraw/zinc/22/64/15/341226415.db2.gz RWTYBSCXZIVDSR-JTQLQIEISA-N 0 0 306.749 4.430 10 5 DIBERN Cc1ccc(NCc2csc(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000159606678 525287291 /nfs/dbraw/zinc/28/72/91/525287291.db2.gz ALYLHOYHJRJSSE-UHFFFAOYSA-N 0 0 305.403 4.269 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000148995698 527358027 /nfs/dbraw/zinc/35/80/27/527358027.db2.gz UIRZQFXCTMXUBU-WCBMZHEXSA-N 0 0 306.259 4.267 10 5 DIBERN C[C@@H](CN1c2ccccc2Sc2ccccc21)[N+](C)(C)[O-] ZINC000575417751 717184201 /nfs/dbraw/zinc/18/42/01/717184201.db2.gz SMOIYOYDKDDTCK-ZDUSSCGKSA-N 0 0 301.435 4.143 10 5 DIBERN C[N@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1 ZINC000616451384 717187734 /nfs/dbraw/zinc/18/77/34/717187734.db2.gz MHRRFCRDWNIBSU-DOXZYTNZSA-N 0 0 302.781 4.163 10 5 DIBERN COc1ccc(Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000019806543 190644785 /nfs/dbraw/zinc/64/47/85/190644785.db2.gz AMHFZOFYDIVPQQ-UHFFFAOYSA-N 0 0 324.130 4.158 10 5 DIBERN Cc1c(C=O)c2ccccn2c1Sc1ccccc1[N+](=O)[O-] ZINC000003885101 181052376 /nfs/dbraw/zinc/05/23/76/181052376.db2.gz VZKXAGUIVCQRAU-UHFFFAOYSA-N 0 0 312.350 4.120 10 5 DIBERN CCc1cc2c(ncnc2Nc2cc([N+](=O)[O-])ccc2C)s1 ZINC000019958663 182170251 /nfs/dbraw/zinc/17/02/51/182170251.db2.gz KCOIXSIOKXVTML-UHFFFAOYSA-N 0 0 314.370 4.214 10 5 DIBERN O=c1c2ccccc2oc(-c2ccccc2Cl)c1[N+](=O)[O-] ZINC000039119541 183014105 /nfs/dbraw/zinc/01/41/05/183014105.db2.gz RIQCRUZMLONGNV-UHFFFAOYSA-N 0 0 301.685 4.022 10 5 DIBERN Cc1cc(C)cc(Oc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])c1 ZINC000040581457 183105312 /nfs/dbraw/zinc/10/53/12/183105312.db2.gz KNZDAMDKKYCPON-UHFFFAOYSA-N 0 0 316.361 4.004 10 5 DIBERN CC(C)Oc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040611062 183108915 /nfs/dbraw/zinc/10/89/15/183108915.db2.gz YBGSWIVTUREVDA-UHFFFAOYSA-N 0 0 317.345 4.088 10 5 DIBERN Cc1ccc2c(NC(=O)c3cccc([N+](=O)[O-])c3)ccnc2c1C ZINC000041057966 183160804 /nfs/dbraw/zinc/16/08/04/183160804.db2.gz QYRCTGDGCWUMGO-UHFFFAOYSA-N 0 0 321.336 4.012 10 5 DIBERN Cc1ccc2c(NC(=O)c3ccc([N+](=O)[O-])cc3)ccnc2c1C ZINC000041058009 183161149 /nfs/dbraw/zinc/16/11/49/183161149.db2.gz XLIYSYBKVSZUSQ-UHFFFAOYSA-N 0 0 321.336 4.012 10 5 DIBERN Cc1cc(C(=O)Oc2ccccc2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000040883979 183146032 /nfs/dbraw/zinc/14/60/32/183146032.db2.gz TUWDXEAGDZUHDQ-UHFFFAOYSA-N 0 0 313.353 4.420 10 5 DIBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070275679 331662639 /nfs/dbraw/zinc/66/26/39/331662639.db2.gz ADYBMZSKALVUEU-PSASIEDQSA-N 0 0 306.259 4.267 10 5 DIBERN Cc1ccc(NC[C@H]2CCO[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301472380 336308992 /nfs/dbraw/zinc/30/89/92/336308992.db2.gz KTUPVGLSAIXONN-QAPCUYQASA-N 0 0 312.369 4.093 10 5 DIBERN Cc1cc(N(C)[C@H](c2ccc(F)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000301538731 336313364 /nfs/dbraw/zinc/31/33/64/336313364.db2.gz BITINWKETZXFSN-KRWDZBQOSA-N 0 0 315.348 4.025 10 5 DIBERN CC(=O)c1ccc(N[C@@H](C)c2ccc(C)c(F)c2)c([N+](=O)[O-])c1 ZINC000301601275 336317628 /nfs/dbraw/zinc/31/76/28/336317628.db2.gz JDRUENRDKHVLNC-NSHDSACASA-N 0 0 316.332 4.418 10 5 DIBERN COCC[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000301629276 336319414 /nfs/dbraw/zinc/31/94/14/336319414.db2.gz IIHCRCYYHOMDPI-INIZCTEOSA-N 0 0 320.776 4.438 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NCc1cc(Cl)c(Cl)n1C ZINC000301635927 336319717 /nfs/dbraw/zinc/31/97/17/336319717.db2.gz KYLMOSYBUGTFRW-UHFFFAOYSA-N 0 0 314.172 4.161 10 5 DIBERN Cc1cccc2c(N3CCc4ccc([N+](=O)[O-])cc4C3)cc[nH+]c12 ZINC000301654398 336321106 /nfs/dbraw/zinc/32/11/06/336321106.db2.gz HMDQRDCQKAHHDC-UHFFFAOYSA-N 0 0 319.364 4.014 10 5 DIBERN Cc1nc(N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000301658832 336321361 /nfs/dbraw/zinc/32/13/61/336321361.db2.gz MACDBLPUJVXPGM-CYBMUJFWSA-N 0 0 313.357 4.013 10 5 DIBERN Cc1nc(N[C@H]2CC(C)(C)Oc3ccccc32)ccc1[N+](=O)[O-] ZINC000301658833 336321373 /nfs/dbraw/zinc/32/13/73/336321373.db2.gz MACDBLPUJVXPGM-ZDUSSCGKSA-N 0 0 313.357 4.013 10 5 DIBERN CCc1sc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])cn2)cc1C ZINC000301790049 336330062 /nfs/dbraw/zinc/33/00/62/336330062.db2.gz YQVWOYPBEDWQSQ-LLVKDONJSA-N 0 0 305.403 4.404 10 5 DIBERN C[C@@H]1CC[C@@H](Nc2cc(CO)ccc2[N+](=O)[O-])c2ccccc21 ZINC000302027191 336343992 /nfs/dbraw/zinc/34/39/92/336343992.db2.gz ILIVCDXBNWAYDY-MLGOLLRUSA-N 0 0 312.369 4.138 10 5 DIBERN Cc1cc(N2CCC[C@H]2c2ccco2)c2cccc([N+](=O)[O-])c2n1 ZINC000302046169 336345305 /nfs/dbraw/zinc/34/53/05/336345305.db2.gz YEWAEEPZTWLFIN-AWEZNQCLSA-N 0 0 323.352 4.386 10 5 DIBERN C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)c(F)c1 ZINC000302821673 336370528 /nfs/dbraw/zinc/37/05/28/336370528.db2.gz DPOXKZOANRWBOU-SECBINFHSA-N 0 0 319.311 4.014 10 5 DIBERN C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000035135137 336401561 /nfs/dbraw/zinc/40/15/61/336401561.db2.gz NEHORIQSWIVZIA-QMMMGPOBSA-N 0 0 311.135 4.123 10 5 DIBERN Cc1nc2cc([C@@H](C[N+](=O)[O-])c3cccc(F)c3)ccc2s1 ZINC000584599791 337370722 /nfs/dbraw/zinc/37/07/22/337370722.db2.gz ZRWUZCMACWMJAA-AWEZNQCLSA-N 0 0 316.357 4.152 10 5 DIBERN O=c1c2cc(Cl)ccc2[nH]c2ccc(Br)cc12 ZINC000584624410 337375351 /nfs/dbraw/zinc/37/53/51/337375351.db2.gz IHDOYOCOQMYIKU-UHFFFAOYSA-N 0 0 308.562 4.097 10 5 DIBERN O=c1c2ccc(C(Cl)(Cl)Cl)cc2oc2ncccc12 ZINC000584638453 337379712 /nfs/dbraw/zinc/37/97/12/337379712.db2.gz ZDBHKMONERPMIC-UHFFFAOYSA-N 0 0 314.555 4.168 10 5 DIBERN Cc1c(NC(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246489226 341350649 /nfs/dbraw/zinc/35/06/49/341350649.db2.gz PGKMUTBPEXMBOK-AXAPSJFSSA-N 0 0 317.389 4.088 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCSc2ccccc21 ZINC000149026567 527358796 /nfs/dbraw/zinc/35/87/96/527358796.db2.gz PAUVMHYULQBPBG-GFCCVEGCSA-N 0 0 304.346 4.383 10 5 DIBERN COc1cc2oc(C)c(-c3cccc([N+](=O)[O-])c3)c2c(OC)c1 ZINC000090527904 185300749 /nfs/dbraw/zinc/30/07/49/185300749.db2.gz SLROBDSXXFCUTO-UHFFFAOYSA-N 0 0 313.309 4.334 10 5 DIBERN O=[N+]([O-])c1ccc2[nH]nc(-c3cccc(C(F)(F)F)c3)c2c1 ZINC000091364381 193045889 /nfs/dbraw/zinc/04/58/89/193045889.db2.gz SRAAXKYMNRBGKA-UHFFFAOYSA-N 0 0 307.231 4.157 10 5 DIBERN Cc1cc(OCCCC(=O)c2cccs2)ccc1[N+](=O)[O-] ZINC000037979843 182951083 /nfs/dbraw/zinc/95/10/83/182951083.db2.gz BFRZZPXIPQXGND-UHFFFAOYSA-N 0 0 305.355 4.007 10 5 DIBERN Cc1ccccc1Nc1ncnc(Oc2ccccc2)c1[N+](=O)[O-] ZINC000040648051 183114053 /nfs/dbraw/zinc/11/40/53/183114053.db2.gz CLSMHXPINYTPRB-UHFFFAOYSA-N 0 0 322.324 4.229 10 5 DIBERN Cc1ccc(Sc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1 ZINC000040581750 183105027 /nfs/dbraw/zinc/10/50/27/183105027.db2.gz UGZWUQJWCOJALV-UHFFFAOYSA-N 0 0 318.402 4.055 10 5 DIBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000129582193 332019606 /nfs/dbraw/zinc/01/96/06/332019606.db2.gz NABYDINFWGSRQD-RYUDHWBXSA-N 0 0 319.405 4.112 10 5 DIBERN Cc1ccc(N[C@@H](C)c2cccc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000301470459 336308807 /nfs/dbraw/zinc/30/88/07/336308807.db2.gz IZTUIEJWHZCHCX-AWEZNQCLSA-N 0 0 322.368 4.262 10 5 DIBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000301502635 336310879 /nfs/dbraw/zinc/31/08/79/336310879.db2.gz FPSQIBQTTMEFDY-IUCAKERBSA-N 0 0 306.259 4.267 10 5 DIBERN Cc1cc(N(C)[C@@H](c2ccc(F)cc2)C2CC2)ncc1[N+](=O)[O-] ZINC000301538732 336313343 /nfs/dbraw/zinc/31/33/43/336313343.db2.gz BITINWKETZXFSN-QGZVFWFLSA-N 0 0 315.348 4.025 10 5 DIBERN C[C@@H](Nc1ccccc1[N+](=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000301853461 336334308 /nfs/dbraw/zinc/33/43/08/336334308.db2.gz QFXBXELJGYPPRU-CQSZACIVSA-N 0 0 322.368 4.013 10 5 DIBERN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000301871719 336335349 /nfs/dbraw/zinc/33/53/49/336335349.db2.gz WXOHDUBCEFECID-CQSZACIVSA-N 0 0 322.368 4.013 10 5 DIBERN CCOCc1ccc(Nc2cc(OC)cc(F)c2[N+](=O)[O-])cc1 ZINC000301960524 336340141 /nfs/dbraw/zinc/34/01/41/336340141.db2.gz QCCNLKONWWETIA-UHFFFAOYSA-N 0 0 320.320 4.023 10 5 DIBERN COc1ccc(F)cc1[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000302820483 336370506 /nfs/dbraw/zinc/37/05/06/336370506.db2.gz PIMINPDEAVWWEQ-SECBINFHSA-N 0 0 308.284 4.055 10 5 DIBERN C[C@H](Nc1cccc(-c2cnco2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000193911424 337080578 /nfs/dbraw/zinc/08/05/78/337080578.db2.gz INIRFFGKFKXGLK-LBPRGKRZSA-N 0 0 309.325 4.423 10 5 DIBERN Cc1ccnc2c(=O)oc3cc4c(cc3c12)[nH]c1ccccc14 ZINC000584648878 337380447 /nfs/dbraw/zinc/38/04/47/337380447.db2.gz RRULZFAXEGUONP-UHFFFAOYSA-N 0 0 300.317 4.284 10 5 DIBERN C[P@](=O)(OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 ZINC000584650205 337380695 /nfs/dbraw/zinc/38/06/95/337380695.db2.gz OQMBQCSOWYPWKG-NRFANRHFSA-N 0 0 307.242 4.013 10 5 DIBERN CCC1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000074386415 341145013 /nfs/dbraw/zinc/14/50/13/341145013.db2.gz CVURVECPQCQPGQ-UHFFFAOYSA-N 0 0 322.430 4.015 10 5 DIBERN CC(C)(C)c1nc(CNc2ccc([N+](=O)[O-])cc2F)cs1 ZINC000134223616 341210017 /nfs/dbraw/zinc/21/00/17/341210017.db2.gz IVWCYSIMBWYUQW-UHFFFAOYSA-N 0 0 309.366 4.100 10 5 DIBERN CCCc1nc(CN[C@@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000181526154 521514392 /nfs/dbraw/zinc/51/43/92/521514392.db2.gz FGXBSXGNRNMUSO-HNNXBMFYSA-N 0 0 319.430 4.245 10 5 DIBERN Cc1nc([C@@H]2CCCN2Cc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000189930106 527051826 /nfs/dbraw/zinc/05/18/26/527051826.db2.gz GXPRBDKHNWZWTJ-HNNXBMFYSA-N 0 0 317.414 4.005 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000148996132 527358468 /nfs/dbraw/zinc/35/84/68/527358468.db2.gz UIRZQFXCTMXUBU-PSASIEDQSA-N 0 0 306.259 4.267 10 5 DIBERN CCc1cc(Br)cc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061922 563522635 /nfs/dbraw/zinc/52/26/35/563522635.db2.gz LMUPQHDIULPCTM-UHFFFAOYSA-N 0 0 315.554 4.121 10 5 DIBERN Nc1c(-c2ccc(C(F)(F)F)cc2)cc(F)cc1[N+](=O)[O-] ZINC000498051123 563945034 /nfs/dbraw/zinc/94/50/34/563945034.db2.gz UVBPEZSDHRBEPQ-UHFFFAOYSA-N 0 0 300.211 4.002 10 5 DIBERN C[N@@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000585123299 717184806 /nfs/dbraw/zinc/18/48/06/717184806.db2.gz NKNYMFHSPDODLJ-QMTMVMCOSA-N 0 0 301.773 4.271 10 5 DIBERN O=[N+]([O-])c1ccc(SCc2ccc(Cl)cc2)c2nonc21 ZINC000096933896 185392756 /nfs/dbraw/zinc/39/27/56/185392756.db2.gz XVMUATUBQYPVGZ-UHFFFAOYSA-N 0 0 321.745 4.077 10 5 DIBERN CNC(=O)OCc1c2[nH]c3ccccc3c2c(C)c2cnccc21 ZINC000000025352 180670557 /nfs/dbraw/zinc/67/05/57/180670557.db2.gz JEURWCFQOJUTQI-UHFFFAOYSA-N 0 0 319.364 4.034 10 5 DIBERN Cc1ccc(Nc2nccc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000072443526 191168361 /nfs/dbraw/zinc/16/83/61/191168361.db2.gz VVJYCKCQUJPQRS-UHFFFAOYSA-N 0 0 306.325 4.104 10 5 DIBERN CCCCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000005615185 181264218 /nfs/dbraw/zinc/26/42/18/181264218.db2.gz DEIDJXFBWPGFQF-UHFFFAOYSA-N 0 0 314.341 4.026 10 5 DIBERN CC[C@@H](C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005662743 181268536 /nfs/dbraw/zinc/26/85/36/181268536.db2.gz SAJOJHFAXCIQAI-CYBMUJFWSA-N 0 0 312.369 4.290 10 5 DIBERN Cc1cc([N+](=O)[O-])ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000006268298 181325236 /nfs/dbraw/zinc/32/52/36/181325236.db2.gz NYNKTIUOIFLDCK-UHFFFAOYSA-N 0 0 314.385 4.058 10 5 DIBERN CC(C)c1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006859021 181398700 /nfs/dbraw/zinc/39/87/00/181398700.db2.gz AETPZSOXJTZLKX-UHFFFAOYSA-N 0 0 301.302 4.370 10 5 DIBERN Cc1cc2c(ncnc2Nc2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000019948618 182169569 /nfs/dbraw/zinc/16/95/69/182169569.db2.gz IPXYOMOBPOOSPI-UHFFFAOYSA-N 0 0 320.761 4.305 10 5 DIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000037131315 182868511 /nfs/dbraw/zinc/86/85/11/182868511.db2.gz HWPXOJJXYGLJTG-QMMMGPOBSA-N 0 0 311.135 4.123 10 5 DIBERN CCc1ccc2oc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2c1 ZINC000040037312 183029124 /nfs/dbraw/zinc/02/91/24/183029124.db2.gz HQVRWVPBHYZGJV-UHFFFAOYSA-N 0 0 324.336 4.464 10 5 DIBERN Cc1cccc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])c1 ZINC000040648525 183113974 /nfs/dbraw/zinc/11/39/74/183113974.db2.gz VKLTXFDCCMQHTI-UHFFFAOYSA-N 0 0 322.324 4.229 10 5 DIBERN CCCNc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583396 183105137 /nfs/dbraw/zinc/10/51/37/183105137.db2.gz NHISBVTUYIKRCC-UHFFFAOYSA-N 0 0 324.340 4.152 10 5 DIBERN CC(C)Nc1ncnc(Oc2ccc3ccccc3c2)c1[N+](=O)[O-] ZINC000040586530 183105724 /nfs/dbraw/zinc/10/57/24/183105724.db2.gz BLRGRMZGNZZAML-UHFFFAOYSA-N 0 0 324.340 4.151 10 5 DIBERN Cc1cc(C)c2nccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000041057026 183160052 /nfs/dbraw/zinc/16/00/52/183160052.db2.gz YXAMCSOZRPEFNH-UHFFFAOYSA-N 0 0 321.336 4.012 10 5 DIBERN C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)c1cccc(O)c1 ZINC000174720934 332863033 /nfs/dbraw/zinc/86/30/33/332863033.db2.gz SBGKBYINMTZNDF-LLVKDONJSA-N 0 0 309.325 4.022 10 5 DIBERN Cc1cc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000070285523 331662842 /nfs/dbraw/zinc/66/28/42/331662842.db2.gz BETCOFHOJKJBKW-WDEREUQCSA-N 0 0 302.296 4.436 10 5 DIBERN CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000049531287 332315895 /nfs/dbraw/zinc/31/58/95/332315895.db2.gz QVHRPGXKJZDLBU-SNVBAGLBSA-N 0 0 307.331 4.128 10 5 DIBERN CCN(c1ccc([N+](=O)[O-])cc1Cl)[C@H](C)c1cccnc1 ZINC000301298593 336299652 /nfs/dbraw/zinc/29/96/52/336299652.db2.gz QBYIYLGYDJSONP-LLVKDONJSA-N 0 0 305.765 4.231 10 5 DIBERN CC1(C)C[C@@H](Nc2cccc(F)c2[N+](=O)[O-])c2ccccc2O1 ZINC000301641247 336320128 /nfs/dbraw/zinc/32/01/28/336320128.db2.gz GOJQSQOZAUPHLG-CQSZACIVSA-N 0 0 316.332 4.448 10 5 DIBERN Cc1cc([N+](=O)[O-])cnc1N[C@H](c1cc(F)ccc1F)C1CC1 ZINC000301948626 336339528 /nfs/dbraw/zinc/33/95/28/336339528.db2.gz FJLBYKMIVUFZJC-HNNXBMFYSA-N 0 0 319.311 4.140 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H]1c1cccc(F)c1 ZINC000302789947 336369254 /nfs/dbraw/zinc/36/92/54/336369254.db2.gz FWZNQHGZZHISLX-AWEZNQCLSA-N 0 0 304.296 4.215 10 5 DIBERN Cc1ccc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)c([N+](=O)[O-])c1 ZINC000302810508 336370227 /nfs/dbraw/zinc/37/02/27/336370227.db2.gz GXSNTGOHASPTGE-LLVKDONJSA-N 0 0 313.309 4.108 10 5 DIBERN C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)c(F)c1 ZINC000302821674 336370517 /nfs/dbraw/zinc/37/05/17/336370517.db2.gz DPOXKZOANRWBOU-VIFPVBQESA-N 0 0 319.311 4.014 10 5 DIBERN COc1cccc([C@@H]2CCCN2c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000302870377 336372627 /nfs/dbraw/zinc/37/26/27/336372627.db2.gz YHAIJDKKXVBKEU-HNNXBMFYSA-N 0 0 316.332 4.084 10 5 DIBERN O=[N+]([O-])c1c(Cl)nccc1-c1ccc(C(F)(F)F)cc1 ZINC000584624607 337375285 /nfs/dbraw/zinc/37/52/85/337375285.db2.gz KTGOCBHTVABIOW-UHFFFAOYSA-N 0 0 302.639 4.329 10 5 DIBERN Cc1c([N+](=O)[O-])cccc1-n1c2ccc(Cl)cc2[nH]c1=S ZINC000584661861 337378444 /nfs/dbraw/zinc/37/84/44/337378444.db2.gz MZUZXBCQRFQGRP-UHFFFAOYSA-N 0 0 319.773 4.184 10 5 DIBERN Cc1nc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2C)cs1 ZINC000189918784 527052708 /nfs/dbraw/zinc/05/27/08/527052708.db2.gz ZTNTWALCAPAPCQ-INIZCTEOSA-N 0 0 317.414 4.005 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000148995939 527358048 /nfs/dbraw/zinc/35/80/48/527358048.db2.gz UIRZQFXCTMXUBU-WPRPVWTQSA-N 0 0 306.259 4.267 10 5 DIBERN Cc1c(Br)cc(F)c2ncc([N+](=O)[O-])c(Cl)c12 ZINC000383532086 563825930 /nfs/dbraw/zinc/82/59/30/563825930.db2.gz RFGPUJDYMKWEQG-UHFFFAOYSA-N 0 0 319.517 4.006 10 5 DIBERN Cc1ccc(NC(=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C)C)cc1 ZINC000006845430 190623957 /nfs/dbraw/zinc/62/39/57/190623957.db2.gz KMOYSQSKJHUBEM-QGZVFWFLSA-N 0 0 312.369 4.282 10 5 DIBERN O=[N+]([O-])c1ccc2c(c1)Sc1cc(OCCF)ccc1N2 ZINC000084654585 192451676 /nfs/dbraw/zinc/45/16/76/192451676.db2.gz YLFOKDQDWWSPHW-UHFFFAOYSA-N 0 0 306.318 4.151 10 5 DIBERN CCN(CC)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000005311880 181228392 /nfs/dbraw/zinc/22/83/92/181228392.db2.gz DSSONDRPCPABNF-UHFFFAOYSA-N 0 0 311.341 4.249 10 5 DIBERN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000006151842 181316648 /nfs/dbraw/zinc/31/66/48/181316648.db2.gz WWXFAJQTWLGCOY-CYBMUJFWSA-N 0 0 320.348 4.239 10 5 DIBERN Cc1ccc(Oc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040647930 183114405 /nfs/dbraw/zinc/11/44/05/183114405.db2.gz YFTGVCXEJLGIDJ-UHFFFAOYSA-N 0 0 322.324 4.229 10 5 DIBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1 ZINC000040571149 183104054 /nfs/dbraw/zinc/10/40/54/183104054.db2.gz SRWIGAJMEBSJRQ-UHFFFAOYSA-N 0 0 319.535 4.089 10 5 DIBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cccc(Cl)c1Cl ZINC000040571299 183104435 /nfs/dbraw/zinc/10/44/35/183104435.db2.gz UKLOFVVFNBMYII-UHFFFAOYSA-N 0 0 319.535 4.089 10 5 DIBERN CCCCNc1ncnc(Oc2ccc(C)c(C)c2)c1[N+](=O)[O-] ZINC000040595498 183106683 /nfs/dbraw/zinc/10/66/83/183106683.db2.gz XUWJADKDSYJPRS-UHFFFAOYSA-N 0 0 316.361 4.006 10 5 DIBERN COc1ccc([N+](=O)[O-])c(N[C@@H](C)c2ccccc2Cl)c1 ZINC000096470480 335816324 /nfs/dbraw/zinc/81/63/24/335816324.db2.gz DRBMKCXJWJBXBC-JTQLQIEISA-N 0 0 306.749 4.430 10 5 DIBERN Cc1cc(N2CC=C(c3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000301303169 336299885 /nfs/dbraw/zinc/29/98/85/336299885.db2.gz WLEWJIVJHIUPTE-UHFFFAOYSA-N 0 0 300.383 4.258 10 5 DIBERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2ncc(C)cc2[N+](=O)[O-])o1 ZINC000301430826 336306394 /nfs/dbraw/zinc/30/63/94/336306394.db2.gz IQDVTXBDQBOEJV-FZMZJTMJSA-N 0 0 315.373 4.177 10 5 DIBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)c2cccs2)c1 ZINC000301451324 336307614 /nfs/dbraw/zinc/30/76/14/336307614.db2.gz ACNMFVXKOZNGJB-VIFPVBQESA-N 0 0 310.350 4.020 10 5 DIBERN Cc1cc(N[C@@H]2CC(C)(C)Oc3ccccc32)ncc1[N+](=O)[O-] ZINC000301636139 336319759 /nfs/dbraw/zinc/31/97/59/336319759.db2.gz FDOYNGTXXPEZMK-CYBMUJFWSA-N 0 0 313.357 4.013 10 5 DIBERN Cc1ccc(Sc2nnc(C3CCCCC3)o2)c([N+](=O)[O-])c1 ZINC000301779745 336329232 /nfs/dbraw/zinc/32/92/32/336329232.db2.gz RBMGNQMUCYGCKK-UHFFFAOYSA-N 0 0 319.386 4.485 10 5 DIBERN Cc1ccc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)c([N+](=O)[O-])c1 ZINC000302810509 336370105 /nfs/dbraw/zinc/37/01/05/336370105.db2.gz GXSNTGOHASPTGE-NSHDSACASA-N 0 0 313.309 4.108 10 5 DIBERN CCc1cnc([C@@H](C)Nc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000134926226 341226788 /nfs/dbraw/zinc/22/67/88/341226788.db2.gz RBTOZCBBVPWIDG-MRVPVSSYSA-N 0 0 311.794 4.440 10 5 DIBERN COc1ccc(CNc2cc(F)ccc2[N+](=O)[O-])cc1Cl ZINC000148923361 524098792 /nfs/dbraw/zinc/09/87/92/524098792.db2.gz CFTAWIORBAOLJU-UHFFFAOYSA-N 0 0 310.712 4.008 10 5 DIBERN Cc1ccc([C@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000148560411 525950135 /nfs/dbraw/zinc/95/01/35/525950135.db2.gz UKRWTITZXSSWOJ-VIFPVBQESA-N 0 0 309.728 4.264 10 5 DIBERN O=[N+]([O-])c1cnc2c(Br)cc(Cl)cc2c1Cl ZINC000165882300 563420908 /nfs/dbraw/zinc/42/09/08/563420908.db2.gz LVIVDKTVBXTTME-UHFFFAOYSA-N 0 0 321.945 4.212 10 5 DIBERN C[N@+]1([O-])C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000306146722 231093686 /nfs/dbraw/zinc/09/36/86/231093686.db2.gz NKNYMFHSPDODLJ-CLCXKQKWSA-N 0 0 301.773 4.271 10 5 DIBERN Cc1nc2ccc(F)cc2c(=S)n1-c1ccc([N+](=O)[O-])cc1 ZINC000003629637 181042972 /nfs/dbraw/zinc/04/29/72/181042972.db2.gz DQIOKFNGYHZSBD-UHFFFAOYSA-N 0 0 315.329 4.111 10 5 DIBERN O=[N+]([O-])c1ccc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2c1 ZINC000091364400 193046260 /nfs/dbraw/zinc/04/62/60/193046260.db2.gz FXBLUSQBYCBCLT-UHFFFAOYSA-N 0 0 307.231 4.157 10 5 DIBERN CCN(C)c1nc2cc(-c3ccccc3)nnc2c2ccccc21 ZINC000028760153 182537762 /nfs/dbraw/zinc/53/77/62/182537762.db2.gz CXPLOPJUAUESAD-UHFFFAOYSA-N 0 0 314.392 4.301 10 5 DIBERN O=C(c1ccccc1F)c1cc2c(ccc3ccccc32)oc1=O ZINC000040421144 183064177 /nfs/dbraw/zinc/06/41/77/183064177.db2.gz XHVUCMJFXCNZFE-UHFFFAOYSA-N 0 0 318.303 4.316 10 5 DIBERN CCCCNc1ncnc(Oc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000040582516 183105102 /nfs/dbraw/zinc/10/51/02/183105102.db2.gz BJRQWRHXJOXXFH-UHFFFAOYSA-N 0 0 316.361 4.006 10 5 DIBERN Cc1cc([N+](=O)[O-])c(C)cc1Oc1ncccc1Br ZINC000062998225 184264782 /nfs/dbraw/zinc/26/47/82/184264782.db2.gz GDEUSHPDNNFJAL-UHFFFAOYSA-N 0 0 323.146 4.161 10 5 DIBERN C[N+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1 ZINC000065734413 184377883 /nfs/dbraw/zinc/37/78/83/184377883.db2.gz NKNYMFHSPDODLJ-YIYRCGFGSA-N 0 0 301.773 4.271 10 5 in-vitro DIBERN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000132466686 332130179 /nfs/dbraw/zinc/13/01/79/332130179.db2.gz WNZOCRNYFRBHBZ-RKDXNWHRSA-N 0 0 306.259 4.267 10 5 DIBERN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000132466509 332130306 /nfs/dbraw/zinc/13/03/06/332130306.db2.gz WNZOCRNYFRBHBZ-IUCAKERBSA-N 0 0 306.259 4.267 10 5 DIBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2CCCC[C@H]21 ZINC000043010150 332259313 /nfs/dbraw/zinc/25/93/13/332259313.db2.gz PDTHKAOEAQEQOH-BXUZGUMPSA-N 0 0 322.792 4.043 10 5 DIBERN CCOc1cc(N[C@H](C)c2ncc(CC)s2)ccc1[N+](=O)[O-] ZINC000301519751 332975073 /nfs/dbraw/zinc/97/50/73/332975073.db2.gz CVUREXXNGKKISP-SNVBAGLBSA-N 0 0 321.402 4.186 10 5 DIBERN COc1cc(N[C@@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000111048547 333053877 /nfs/dbraw/zinc/05/38/77/333053877.db2.gz LWYFBMHJNLIVND-JTQLQIEISA-N 0 0 306.749 4.430 10 5 DIBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)cc1C(F)(F)F ZINC000301469740 336308836 /nfs/dbraw/zinc/30/88/36/336308836.db2.gz IHMCRMXOZZHIQQ-QWRGUYRKSA-N 0 0 312.291 4.016 10 5 DIBERN Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)o1 ZINC000301702653 336324371 /nfs/dbraw/zinc/32/43/71/336324371.db2.gz ACFKOGVPIZBAGJ-VIFPVBQESA-N 0 0 312.272 4.271 10 5 DIBERN C[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccccc1 ZINC000301953865 336339666 /nfs/dbraw/zinc/33/96/66/336339666.db2.gz JULOHEKVMCGACI-CYBMUJFWSA-N 0 0 322.368 4.056 10 5 DIBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1C[C@H]2CCCc3cccc1c32 ZINC000302039314 336344820 /nfs/dbraw/zinc/34/48/20/336344820.db2.gz NCTVIVCLXLEBIL-ZBFHGGJFSA-N 0 0 324.380 4.064 10 5 DIBERN C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccc(F)cc1F ZINC000302785180 336369064 /nfs/dbraw/zinc/36/90/64/336369064.db2.gz VBDRRVDENIQMKL-VIFPVBQESA-N 0 0 319.311 4.014 10 5 DIBERN CCC1(c2ccc3sc4ccccc4c(=O)c3c2)OCCO1 ZINC000584590611 337368101 /nfs/dbraw/zinc/36/81/01/337368101.db2.gz LFTQIYVNQYNFDT-UHFFFAOYSA-N 0 0 312.390 4.024 10 5 DIBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000584598836 337370540 /nfs/dbraw/zinc/37/05/40/337370540.db2.gz JROJCYUHSDVHGQ-WCQYABFASA-N 0 0 320.389 4.008 10 5 DIBERN O=[N+]([O-])c1c(F)c(F)c(-c2ccc(Cl)cc2)c(F)c1F ZINC000584635575 337375284 /nfs/dbraw/zinc/37/52/84/337375284.db2.gz MDVFJYAJRYISNU-UHFFFAOYSA-N 0 0 305.614 4.472 10 5 DIBERN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)cnc2Cl)c1 ZINC000584880956 563336651 /nfs/dbraw/zinc/33/66/51/563336651.db2.gz JLDFBFJEIPFBPT-UHFFFAOYSA-N 0 0 302.639 4.329 10 5 DIBERN O=Cc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000033413827 563445708 /nfs/dbraw/zinc/44/57/08/563445708.db2.gz XFNZSDIZZJPKCU-UHFFFAOYSA-N 0 0 310.231 4.170 10 5 DIBERN Cc1cc(Br)c(F)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000098061941 563523407 /nfs/dbraw/zinc/52/34/07/563523407.db2.gz VCEAZEMJTFVIPF-UHFFFAOYSA-N 0 0 319.517 4.006 10 5 DIBERN Cc1cccc([N+](=O)[O-])c1NC(=O)CCc1ccccc1Cl ZINC000048545879 563924115 /nfs/dbraw/zinc/92/41/15/563924115.db2.gz SHXPZSCBTRPSPJ-UHFFFAOYSA-N 0 0 318.760 4.128 10 5 DIBERN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000152659302 1038983316 /nfs/dbraw/zinc/98/33/16/1038983316.db2.gz WQRPGTQVBYZSSQ-IAQYHMDHSA-N 0 0 322.792 4.043 10 5 DIBERN O=[N+]([O-])c1cc(-c2cn3ccsc3n2)c(Cl)cc1Cl ZINC000090484213 185298582 /nfs/dbraw/zinc/29/85/82/185298582.db2.gz DQMWNFHFONZNLK-UHFFFAOYSA-N 0 0 314.153 4.278 10 5 DIBERN Cc1cc(C)cc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000000504964 190615093 /nfs/dbraw/zinc/61/50/93/190615093.db2.gz JUJWJEBTXYYNSU-UHFFFAOYSA-N 0 0 305.717 4.084 10 5 DIBERN Cc1cccc(NC(=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C)C)c1 ZINC000006860371 181398749 /nfs/dbraw/zinc/39/87/49/181398749.db2.gz BEEJPXZKMJYYEU-KRWDZBQOSA-N 0 0 312.369 4.282 10 5 DIBERN CCc1cccc(C)c1NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000013788961 181897238 /nfs/dbraw/zinc/89/72/38/181897238.db2.gz DPYGCSMJLUJJJN-UHFFFAOYSA-N 0 0 315.398 4.275 10 5 DIBERN Cc1cccc(NCc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000037185332 182871177 /nfs/dbraw/zinc/87/11/77/182871177.db2.gz ZVCUSPVEYRGQIG-UHFFFAOYSA-N 0 0 321.174 4.278 10 5 DIBERN CC(=O)c1cc(F)ccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000037975304 182947492 /nfs/dbraw/zinc/94/74/92/182947492.db2.gz COFBOVIZVIMXDZ-UHFFFAOYSA-N 0 0 309.680 4.382 10 5 DIBERN CCCNc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040596849 183107073 /nfs/dbraw/zinc/10/70/73/183107073.db2.gz OKCXGIHSVULVQN-UHFFFAOYSA-N 0 0 323.356 4.104 10 5 DIBERN CCCNc1ncnc(Oc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040596719 183107195 /nfs/dbraw/zinc/10/71/95/183107195.db2.gz AXOSXFGYGCAREZ-UHFFFAOYSA-N 0 0 316.361 4.122 10 5 DIBERN O=[N+]([O-])c1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1 ZINC000066055065 184386039 /nfs/dbraw/zinc/38/60/39/184386039.db2.gz FWPABQNMFLVCPD-UHFFFAOYSA-N 0 0 318.695 4.074 10 5 DIBERN CC(=O)c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000061696308 333431359 /nfs/dbraw/zinc/43/13/59/333431359.db2.gz UVPDAAIOXDXODR-UHFFFAOYSA-N 0 0 309.680 4.382 10 5 DIBERN O=[N+]([O-])c1ccc(N2CC=C(c3cccs3)CC2)c(F)c1 ZINC000301270387 336297899 /nfs/dbraw/zinc/29/78/99/336297899.db2.gz GWLBJTJLRJFINY-UHFFFAOYSA-N 0 0 304.346 4.089 10 5 DIBERN O=[N+]([O-])c1cc(F)ccc1N1CC=C(c2cccs2)CC1 ZINC000301302677 336299884 /nfs/dbraw/zinc/29/98/84/336299884.db2.gz WEPRVZLADOWSOW-UHFFFAOYSA-N 0 0 304.346 4.089 10 5 DIBERN CCc1ccc([C@H]2CCCCN2c2cc(C)c([N+](=O)[O-])cn2)o1 ZINC000301429204 336306139 /nfs/dbraw/zinc/30/61/39/336306139.db2.gz IVDQWXUMUSDHRS-CQSZACIVSA-N 0 0 315.373 4.185 10 5 DIBERN Cc1ccc(NC[C@@H]2CCO[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000301472379 336309003 /nfs/dbraw/zinc/30/90/03/336309003.db2.gz KTUPVGLSAIXONN-MAUKXSAKSA-N 0 0 312.369 4.093 10 5 DIBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)c2ccsc2)c1 ZINC000301473605 336309064 /nfs/dbraw/zinc/30/90/64/336309064.db2.gz MCOURJDTNMQVBM-VIFPVBQESA-N 0 0 310.350 4.020 10 5 DIBERN O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000301502633 336310887 /nfs/dbraw/zinc/31/08/87/336310887.db2.gz FPSQIBQTTMEFDY-BDAKNGLRSA-N 0 0 306.259 4.267 10 5 DIBERN CCc1sc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C)n2)cc1C ZINC000301774507 336328902 /nfs/dbraw/zinc/32/89/02/336328902.db2.gz MZDGXBQROYCLRD-LLVKDONJSA-N 0 0 305.403 4.404 10 5 DIBERN Cc1nc2cc([C@H](C[N+](=O)[O-])c3cccc(F)c3)ccc2s1 ZINC000584599793 337370755 /nfs/dbraw/zinc/37/07/55/337370755.db2.gz ZRWUZCMACWMJAA-CQSZACIVSA-N 0 0 316.357 4.152 10 5 DIBERN C[C@@H](C[N+](=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000584612665 337372380 /nfs/dbraw/zinc/37/23/80/337372380.db2.gz AQEWUHBTKXRVIE-LURJTMIESA-N 0 0 301.186 4.104 10 5 DIBERN C[C@H](C[N+](=O)[O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000584612666 337372439 /nfs/dbraw/zinc/37/24/39/337372439.db2.gz AQEWUHBTKXRVIE-ZCFIWIBFSA-N 0 0 301.186 4.104 10 5 DIBERN COc1ccc2c(ccc3c4ccc(OC)cc4c(=O)[nH]c23)c1 ZINC000584596526 337374149 /nfs/dbraw/zinc/37/41/49/337374149.db2.gz ASOSAXGUNRSMSN-UHFFFAOYSA-N 0 0 305.333 4.264 10 5 DIBERN Cc1ccnc2c(=O)oc3ccc4[nH]c5ccccc5c4c3c12 ZINC000584648592 337380443 /nfs/dbraw/zinc/38/04/43/337380443.db2.gz LSYJFCPQXQBTKA-UHFFFAOYSA-N 0 0 300.317 4.284 10 5 DIBERN O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@H]1c1ccco1 ZINC000116263137 337392471 /nfs/dbraw/zinc/39/24/71/337392471.db2.gz ZNVOLANCJUUJQQ-AWEZNQCLSA-N 0 0 309.325 4.078 10 5 DIBERN O=[N+]([O-])c1cnc2c(Cl)cc(Br)cc2c1Cl ZINC000165863700 563518606 /nfs/dbraw/zinc/51/86/06/563518606.db2.gz HQPPJKPLRCPJBL-UHFFFAOYSA-N 0 0 321.945 4.212 10 5 DIBERN C[C@H](CN1c2ccccc2CCc2ccccc21)C[N+](C)(C)[O-] ZINC000575232701 717183854 /nfs/dbraw/zinc/18/38/54/717183854.db2.gz RKXBFOIJLBNZEB-MRXNPFEDSA-N 0 0 311.449 4.025 10 5 DIBERN C[N@@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000575625385 717184242 /nfs/dbraw/zinc/18/42/42/717184242.db2.gz MHRRFCRDWNIBSU-QMTMVMCOSA-N 0 0 302.781 4.163 10 5 DIBERN C[C@@](OCC[N+](C)(C)[O-])(c1ccccc1)c1ccc(Cl)cc1 ZINC000757115613 717188792 /nfs/dbraw/zinc/18/87/92/717188792.db2.gz SHOGSJKUFBORHU-GOSISDBHSA-N 0 0 319.832 4.194 10 5 DIBERN O=[N+]([O-])c1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2c1 ZINC000072265950 191090151 /nfs/dbraw/zinc/09/01/51/191090151.db2.gz DYCFAECYEHAARU-UHFFFAOYSA-N 0 0 307.231 4.157 10 5 DIBERN CC[C@H](C)c1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005666003 181269307 /nfs/dbraw/zinc/26/93/07/181269307.db2.gz SAJOJHFAXCIQAI-ZDUSSCGKSA-N 0 0 312.369 4.290 10 5 DIBERN Cc1ccccc1NC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000006861127 181398777 /nfs/dbraw/zinc/39/87/77/181398777.db2.gz HOFKZAJCWWXEGE-KRWDZBQOSA-N 0 0 312.369 4.282 10 5 DIBERN Cc1ccccc1NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013811979 181899893 /nfs/dbraw/zinc/89/98/93/181899893.db2.gz QOJVTGQIBKTIST-UHFFFAOYSA-N 0 0 321.789 4.366 10 5 DIBERN Cc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000016017869 182029335 /nfs/dbraw/zinc/02/93/35/182029335.db2.gz MAQYZZJFWXTCTA-NSHDSACASA-N 0 0 318.760 4.048 10 5 DIBERN C[C@H](c1cccs1)N(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000037979229 182950361 /nfs/dbraw/zinc/95/03/61/182950361.db2.gz YFIKNVJGMIMMIY-SECBINFHSA-N 0 0 324.789 4.143 10 5 DIBERN O=[N+]([O-])c1ccc(Cl)nc1Oc1ccc(F)cc1Cl ZINC000038082159 182986208 /nfs/dbraw/zinc/98/62/08/182986208.db2.gz UCKBWRXGMMEXDS-UHFFFAOYSA-N 0 0 303.076 4.228 10 5 DIBERN O=c1c2ccccc2oc(-c2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000039119540 183013925 /nfs/dbraw/zinc/01/39/25/183013925.db2.gz WSTSSNHIBMUZAP-UHFFFAOYSA-N 0 0 301.685 4.022 10 5 DIBERN Cc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000040647878 183114017 /nfs/dbraw/zinc/11/40/17/183114017.db2.gz BWVWUPWVKADZEC-UHFFFAOYSA-N 0 0 321.340 4.180 10 5 DIBERN O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Sc1ccccc1 ZINC000040647889 183114350 /nfs/dbraw/zinc/11/43/50/183114350.db2.gz GXXZVNQYOMGKSJ-UHFFFAOYSA-N 0 0 324.365 4.280 10 5 DIBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(Cl)ccc1Cl ZINC000040571296 183104348 /nfs/dbraw/zinc/10/43/48/183104348.db2.gz UJDISPCQQQWCLW-UHFFFAOYSA-N 0 0 319.535 4.089 10 5 DIBERN Cc1cc(Oc2ncnc(Cl)c2[N+](=O)[O-])cc(C)c1Cl ZINC000040571481 183104645 /nfs/dbraw/zinc/10/46/45/183104645.db2.gz FCMWZGXPYNBBPE-UHFFFAOYSA-N 0 0 314.128 4.101 10 5 DIBERN CC(C)Nc1ncnc(Oc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040583397 183105426 /nfs/dbraw/zinc/10/54/26/183105426.db2.gz XQUOBYPKZYRYRF-UHFFFAOYSA-N 0 0 324.340 4.151 10 5 DIBERN O=C(c1ccc(F)cc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000040950662 183150482 /nfs/dbraw/zinc/15/04/82/183150482.db2.gz RZOBGRUPQYKXHY-UHFFFAOYSA-N 0 0 318.303 4.316 10 5 DIBERN CC(C)c1ccc(CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000040996009 183155269 /nfs/dbraw/zinc/15/52/69/183155269.db2.gz NWMRWPQUDQFNND-UHFFFAOYSA-N 0 0 312.369 4.290 10 5 DIBERN Cc1nc([C@@H]2CCCN2c2cc(C)ccc2[N+](=O)[O-])cs1 ZINC000275035428 130284385 /nfs/dbraw/zinc/28/43/85/130284385.db2.gz PAFVNMTYBNTWQW-ZDUSSCGKSA-N 0 0 303.387 4.010 10 5 DIBERN Cc1cc(N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000070285525 331662900 /nfs/dbraw/zinc/66/29/00/331662900.db2.gz BETCOFHOJKJBKW-QWRGUYRKSA-N 0 0 302.296 4.436 10 5 DIBERN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C)C[C@@H](C)C1 ZINC000129582642 332019701 /nfs/dbraw/zinc/01/97/01/332019701.db2.gz NABYDINFWGSRQD-NWDGAFQWSA-N 0 0 319.405 4.112 10 5 DIBERN COc1cc(N[C@H](C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000111048549 333053876 /nfs/dbraw/zinc/05/38/76/333053876.db2.gz LWYFBMHJNLIVND-SNVBAGLBSA-N 0 0 306.749 4.430 10 5 DIBERN O=[N+]([O-])c1c(F)cccc1N1CC=C(c2cccs2)CC1 ZINC000301256485 336297054 /nfs/dbraw/zinc/29/70/54/336297054.db2.gz BODUTGHBCNZPLJ-UHFFFAOYSA-N 0 0 304.346 4.089 10 5 DIBERN C[C@@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])c2ccccc21 ZINC000302027192 336344106 /nfs/dbraw/zinc/34/41/06/336344106.db2.gz ILIVCDXBNWAYDY-WBMJQRKESA-N 0 0 312.369 4.138 10 5 DIBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1C[C@@H]2CCCc3cccc1c32 ZINC000302039312 336344844 /nfs/dbraw/zinc/34/48/44/336344844.db2.gz NCTVIVCLXLEBIL-GOEBONIOSA-N 0 0 324.380 4.064 10 5 DIBERN O=[N+]([O-])c1ccc(CO)cc1N[C@H]1C[C@@H]2CCCc3cccc1c32 ZINC000302039313 336344871 /nfs/dbraw/zinc/34/48/71/336344871.db2.gz NCTVIVCLXLEBIL-HOCLYGCPSA-N 0 0 324.380 4.064 10 5 DIBERN Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)c1cccc(O)c1 ZINC000302652869 336363525 /nfs/dbraw/zinc/36/35/25/336363525.db2.gz GXLLXXSZABTMPR-SNVBAGLBSA-N 0 0 306.749 4.435 10 5 DIBERN C[C@H](Nc1cccc(-c2cnco2)c1)c1cccc([N+](=O)[O-])c1 ZINC000193911572 337080589 /nfs/dbraw/zinc/08/05/89/337080589.db2.gz LBNGGAHYMSWJJY-LBPRGKRZSA-N 0 0 309.325 4.423 10 5 DIBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000584598835 337370545 /nfs/dbraw/zinc/37/05/45/337370545.db2.gz JROJCYUHSDVHGQ-DGCLKSJQSA-N 0 0 320.389 4.008 10 5 DIBERN CCOP(=O)(Cc1cc(Cl)ccc1[N+](=O)[O-])OCC ZINC000584602492 337371080 /nfs/dbraw/zinc/37/10/80/337371080.db2.gz XZLXQVTZSCSEBM-UHFFFAOYSA-N 0 0 307.670 4.014 10 5 DIBERN O=[N+]([O-])c1cccc(OCCOc2ccc3ccccc3c2)c1 ZINC000584651379 337380885 /nfs/dbraw/zinc/38/08/85/337380885.db2.gz ITBYJAKHCKXDRQ-UHFFFAOYSA-N 0 0 309.321 4.206 10 5 DIBERN Cc1ccc([C@H](C)NCc2ccc(C(C)C)c([N+](=O)[O-])c2)o1 ZINC000078422899 337599550 /nfs/dbraw/zinc/59/95/50/337599550.db2.gz VGRQLVGQVQNACZ-ZDUSSCGKSA-N 0 0 302.374 4.470 10 5 DIBERN COc1cccc(N[C@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000134912572 341226689 /nfs/dbraw/zinc/22/66/89/341226689.db2.gz DRJSQEIYWIYMCX-SNVBAGLBSA-N 0 0 306.749 4.430 10 5 DIBERN COc1cccc(N[C@@H](C)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000134912551 341226706 /nfs/dbraw/zinc/22/67/06/341226706.db2.gz DRJSQEIYWIYMCX-JTQLQIEISA-N 0 0 306.749 4.430 10 5 DIBERN CCCc1nc(CN[C@H](CC)c2cccc([N+](=O)[O-])c2)cs1 ZINC000181526169 521516044 /nfs/dbraw/zinc/51/60/44/521516044.db2.gz FGXBSXGNRNMUSO-OAHLLOKOSA-N 0 0 319.430 4.245 10 5 DIBERN Cc1ccc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC(C)C)o1 ZINC000182578308 525928839 /nfs/dbraw/zinc/92/88/39/525928839.db2.gz FVTCJFOJNYIQDK-ZDUSSCGKSA-N 0 0 318.373 4.134 10 5 DIBERN O=[N+]([O-])c1cc(Cl)cnc1N[C@H]1CCCc2ccccc21 ZINC000148513563 527335879 /nfs/dbraw/zinc/33/58/79/527335879.db2.gz ILIHKGSVEHGMJF-ZDUSSCGKSA-N 0 0 303.749 4.133 10 5 DIBERN O=c1[nH]c2c3cc4c(nc3sc2c2ccccc12)CCCC4 ZINC000000293616 563237441 /nfs/dbraw/zinc/23/74/41/563237441.db2.gz VKILBRLXOHAGKL-UHFFFAOYSA-N 0 0 306.390 4.170 10 5 DIBERN O=[N+]([O-])c1cnc2c(Cl)c(Br)ccc2c1Cl ZINC000584882188 563426108 /nfs/dbraw/zinc/42/61/08/563426108.db2.gz SMKHWOIRSFXURL-UHFFFAOYSA-N 0 0 321.945 4.212 10 5 DIBERN Oc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000048524458 563924008 /nfs/dbraw/zinc/92/40/08/563924008.db2.gz GREQMHCEDITOPL-UHFFFAOYSA-N 0 0 312.332 4.032 10 5 DIBERN C[C@@H](CN1c2ccccc2CCc2ccccc21)C[N+](C)(C)[O-] ZINC000575232697 717183951 /nfs/dbraw/zinc/18/39/51/717183951.db2.gz RKXBFOIJLBNZEB-INIZCTEOSA-N 0 0 311.449 4.025 10 5 DIBERN Cc1cc(C)cc(NC(=S)Nc2ccccc2[N+](=O)[O-])c1 ZINC000006963358 190627001 /nfs/dbraw/zinc/62/70/01/190627001.db2.gz IWNJPNQKZDXBBE-UHFFFAOYSA-N 0 0 301.371 4.021 10 5 DIBERN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000005618109 181264790 /nfs/dbraw/zinc/26/47/90/181264790.db2.gz YBBUCDZUMYFBBC-UHFFFAOYSA-N 0 0 304.733 4.117 10 5 DIBERN Cc1ccc(NC(=O)/C=C/c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000006278688 181325787 /nfs/dbraw/zinc/32/57/87/181325787.db2.gz ZPSIRGLLPONYRI-SOFGYWHQSA-N 0 0 316.744 4.209 10 5 DIBERN Cc1ccccc1NC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000006861122 181398757 /nfs/dbraw/zinc/39/87/57/181398757.db2.gz HOFKZAJCWWXEGE-QGZVFWFLSA-N 0 0 312.369 4.282 10 5 DIBERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000015686039 182012628 /nfs/dbraw/zinc/01/26/28/182012628.db2.gz DPJWBBOBLQRKRT-NSHDSACASA-N 0 0 318.760 4.048 10 5 DIBERN Cc1ccc(NCc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000037215801 182873306 /nfs/dbraw/zinc/87/33/06/182873306.db2.gz CZYXRXSSDJIUGX-UHFFFAOYSA-N 0 0 321.174 4.278 10 5 DIBERN CC(C)Nc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040594312 183106784 /nfs/dbraw/zinc/10/67/84/183106784.db2.gz MDBKIMXLAXNEKT-UHFFFAOYSA-N 0 0 315.377 4.072 10 5 DIBERN Cc1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn21 ZINC000040964246 183152342 /nfs/dbraw/zinc/15/23/42/183152342.db2.gz IFLHEQQGSWXVSG-UHFFFAOYSA-N 0 0 309.350 4.433 10 5 DIBERN Cc1ccc(NC(=O)CCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000040995192 183155340 /nfs/dbraw/zinc/15/53/40/183155340.db2.gz FWQUADOJHZJJTO-UHFFFAOYSA-N 0 0 318.760 4.128 10 5 DIBERN O=[N+]([O-])c1ccc(N[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000034980698 331464423 /nfs/dbraw/zinc/46/44/23/331464423.db2.gz MOISVSORAYXFHQ-ZDUSSCGKSA-N 0 0 304.733 4.184 10 5 DIBERN O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000070275675 331662643 /nfs/dbraw/zinc/66/26/43/331662643.db2.gz ADYBMZSKALVUEU-WCBMZHEXSA-N 0 0 306.259 4.267 10 5 DIBERN O=[N+]([O-])c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000070284808 331662847 /nfs/dbraw/zinc/66/28/47/331662847.db2.gz DRMCACRIFPEAEN-RKDXNWHRSA-N 0 0 306.259 4.267 10 5 DIBERN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H]2CCCC[C@@H]21 ZINC000043010145 332259261 /nfs/dbraw/zinc/25/92/61/332259261.db2.gz PDTHKAOEAQEQOH-RISCZKNCSA-N 0 0 322.792 4.043 10 5 DIBERN C[C@@H](COCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000390693738 333315744 /nfs/dbraw/zinc/31/57/44/333315744.db2.gz BSWAYYQIQTZVHQ-LBPRGKRZSA-N 0 0 320.776 4.265 10 5 DIBERN CC(C)c1nc(CNc2ccc([N+](=O)[O-])cc2Cl)cs1 ZINC000301186133 336293865 /nfs/dbraw/zinc/29/38/65/336293865.db2.gz SFSSWPRYTRGJIY-UHFFFAOYSA-N 0 0 311.794 4.440 10 5 DIBERN COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)c2ccsc2)c1 ZINC000301473604 336309018 /nfs/dbraw/zinc/30/90/18/336309018.db2.gz MCOURJDTNMQVBM-SECBINFHSA-N 0 0 310.350 4.020 10 5 DIBERN Cc1cnc(N(C)[C@@H](c2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000301599888 336317479 /nfs/dbraw/zinc/31/74/79/336317479.db2.gz YOFLZKXKADEISD-MRXNPFEDSA-N 0 0 315.348 4.025 10 5 DIBERN Cc1ccc(NCc2cnc(CC(C)C)s2)c([N+](=O)[O-])c1 ZINC000301829968 336332850 /nfs/dbraw/zinc/33/28/50/336332850.db2.gz RLIJWZQHFMEBAG-UHFFFAOYSA-N 0 0 305.403 4.170 10 5 DIBERN C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1cnn(Cc2ccccc2)c1 ZINC000301871718 336335354 /nfs/dbraw/zinc/33/53/54/336335354.db2.gz WXOHDUBCEFECID-AWEZNQCLSA-N 0 0 322.368 4.013 10 5 DIBERN C[C@H]1CC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])c2ccccc21 ZINC000302027190 336344021 /nfs/dbraw/zinc/34/40/21/336344021.db2.gz ILIVCDXBNWAYDY-LRDDRELGSA-N 0 0 312.369 4.138 10 5 DIBERN COc1cccc(N[C@H](C)c2csc(C(C)C)n2)c1[N+](=O)[O-] ZINC000302713020 336366203 /nfs/dbraw/zinc/36/62/03/336366203.db2.gz DXGLVJDBCBVNQS-SNVBAGLBSA-N 0 0 321.402 4.356 10 5 DIBERN Cc1cc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)ccc1[N+](=O)[O-] ZINC000302824491 336370761 /nfs/dbraw/zinc/37/07/61/336370761.db2.gz LSZCATJLJQQHBV-SNVBAGLBSA-N 0 0 313.309 4.108 10 5 DIBERN Cc1ccc([C@@H](C)Nc2ncc(Cl)cc2[N+](=O)[O-])cc1F ZINC000148560202 525754497 /nfs/dbraw/zinc/75/44/97/525754497.db2.gz UKRWTITZXSSWOJ-SECBINFHSA-N 0 0 309.728 4.264 10 5 DIBERN Cc1cc(F)c(Br)c2c(Cl)c([N+](=O)[O-])cnc12 ZINC000232105769 563421146 /nfs/dbraw/zinc/42/11/46/563421146.db2.gz WFUMNSDBFUTFML-UHFFFAOYSA-N 0 0 319.517 4.006 10 5 DIBERN O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2ccc(Cl)cc12 ZINC000000193346 563576790 /nfs/dbraw/zinc/57/67/90/563576790.db2.gz QXKPXAJGZHZZIX-UHFFFAOYSA-N 0 0 301.685 4.022 10 5 DIBERN O=[N+]([O-])c1cccc(-c2csc(NCc3ccccc3)n2)c1 ZINC000006671134 563960159 /nfs/dbraw/zinc/96/01/59/563960159.db2.gz HJSXIMXZMGBIRE-UHFFFAOYSA-N 0 0 311.366 4.330 10 5 DIBERN C[N@+]1([O-])C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1 ZINC000575625366 717184108 /nfs/dbraw/zinc/18/41/08/717184108.db2.gz MHRRFCRDWNIBSU-KHYOSLBOSA-N 0 0 302.781 4.163 10 5 DIBERN CCCCOc1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000005615190 181264156 /nfs/dbraw/zinc/26/41/56/181264156.db2.gz BSPOBJRTYYAPPY-UHFFFAOYSA-N 0 0 314.341 4.026 10 5 DIBERN Cc1cc(C)cc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000006188770 181318620 /nfs/dbraw/zinc/31/86/20/181318620.db2.gz QMPSZNBFBRQASD-UHFFFAOYSA-N 0 0 305.717 4.084 10 5 DIBERN CCc1cccc(CC)c1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000006619894 181361655 /nfs/dbraw/zinc/36/16/55/181361655.db2.gz ITGQOWZKJQXXES-OUKQBFOZSA-N 0 0 324.380 4.372 10 5 DIBERN CC(C)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000006781619 181387640 /nfs/dbraw/zinc/38/76/40/181387640.db2.gz YTJGCEIDBOWTJI-UHFFFAOYSA-N 0 0 316.382 4.341 10 5 DIBERN Cc1cccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1 ZINC000040647874 183114088 /nfs/dbraw/zinc/11/40/88/183114088.db2.gz PHWVAABDMMWGJU-UHFFFAOYSA-N 0 0 321.340 4.180 10 5 DIBERN Cc1ccccc1Nc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] ZINC000040647870 183114390 /nfs/dbraw/zinc/11/43/90/183114390.db2.gz ISFQFYSDSSTJAQ-UHFFFAOYSA-N 0 0 321.340 4.180 10 5 DIBERN CCCCc1ccc(Nc2ncnc(Cl)c2[N+](=O)[O-])cc1 ZINC000040571107 183103794 /nfs/dbraw/zinc/10/37/94/183103794.db2.gz VCYBWUQDFZBLCR-UHFFFAOYSA-N 0 0 306.753 4.124 10 5 DIBERN O=[N+]([O-])c1c(Cl)ncnc1Nc1ccc(Cl)cc1Cl ZINC000040571339 183104765 /nfs/dbraw/zinc/10/47/65/183104765.db2.gz ANSRMRBKPULMKV-UHFFFAOYSA-N 0 0 319.535 4.089 10 5 DIBERN CC(C)Oc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040594737 183106629 /nfs/dbraw/zinc/10/66/29/183106629.db2.gz IUGVVYBALJPNTP-UHFFFAOYSA-N 0 0 316.361 4.039 10 5 DIBERN CCCNc1ncnc(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000040594309 183106634 /nfs/dbraw/zinc/10/66/34/183106634.db2.gz QWTRKVCESIEMNZ-UHFFFAOYSA-N 0 0 315.377 4.074 10 5 DIBERN CC(C)Nc1ncnc(Nc2cccc3ccccc32)c1[N+](=O)[O-] ZINC000040597447 183107091 /nfs/dbraw/zinc/10/70/91/183107091.db2.gz OLGHAWSXFGSARX-UHFFFAOYSA-N 0 0 323.356 4.102 10 5 DIBERN Cc1ccccc1C(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000040836502 183140906 /nfs/dbraw/zinc/14/09/06/183140906.db2.gz HBJHPQZFOOUIHP-UHFFFAOYSA-N 0 0 314.340 4.486 10 5 DIBERN Cc1cccc2sc3nc(-c4ccc([N+](=O)[O-])cc4)cn3c21 ZINC000040964527 183152169 /nfs/dbraw/zinc/15/21/69/183152169.db2.gz IXTLFYOMALAZRR-UHFFFAOYSA-N 0 0 309.350 4.433 10 5 DIBERN Cc1cc(C)c2nccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000041057112 183160036 /nfs/dbraw/zinc/16/00/36/183160036.db2.gz LPPJAQIHKLGOOW-UHFFFAOYSA-N 0 0 321.336 4.012 10 5 DIBERN Cc1cc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000070285527 331662858 /nfs/dbraw/zinc/66/28/58/331662858.db2.gz BETCOFHOJKJBKW-GHMZBOCLSA-N 0 0 302.296 4.436 10 5 DIBERN O=[N+]([O-])c1cccc(F)c1N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000132466253 332130165 /nfs/dbraw/zinc/13/01/65/332130165.db2.gz WNZOCRNYFRBHBZ-DTWKUNHWSA-N 0 0 306.259 4.267 10 5 DIBERN O=[N+]([O-])c1cccc(F)c1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000132466928 332130249 /nfs/dbraw/zinc/13/02/49/332130249.db2.gz WNZOCRNYFRBHBZ-BDAKNGLRSA-N 0 0 306.259 4.267 10 5 DIBERN O=[N+]([O-])c1ccc(N2C[C@@H]3CC=CC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000301414426 336305275 /nfs/dbraw/zinc/30/52/75/336305275.db2.gz LNPAPYQBENHVPS-PHIMTYICSA-N 0 0 312.291 4.016 10 5 DIBERN Cc1cc(C)cc([C@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000301423106 336305681 /nfs/dbraw/zinc/30/56/81/336305681.db2.gz GEQSMEVQLULMTK-MRXNPFEDSA-N 0 0 311.385 4.257 10 5 DIBERN Cc1cc(C)cc([C@@H]2CCCN2c2cc(C)c([N+](=O)[O-])cn2)c1 ZINC000301423105 336305683 /nfs/dbraw/zinc/30/56/83/336305683.db2.gz GEQSMEVQLULMTK-INIZCTEOSA-N 0 0 311.385 4.257 10 5 DIBERN Cc1cnc(N(C)[C@H](c2ccc(F)cc2)C2CC2)c([N+](=O)[O-])c1 ZINC000301599886 336317415 /nfs/dbraw/zinc/31/74/15/336317415.db2.gz YOFLZKXKADEISD-INIZCTEOSA-N 0 0 315.348 4.025 10 5 DIBERN C[C@H](Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)c1ccco1 ZINC000301863756 336334918 /nfs/dbraw/zinc/33/49/18/336334918.db2.gz GCYQXHSMHIDQRL-LBPRGKRZSA-N 0 0 309.325 4.423 10 5 DIBERN O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1C[C@H]2CCCc3cccc1c32 ZINC000302039311 336344851 /nfs/dbraw/zinc/34/48/51/336344851.db2.gz NCTVIVCLXLEBIL-GDBMZVCRSA-N 0 0 324.380 4.064 10 5 DIBERN O=C1CCc2cc(Oc3ccc([N+](=O)[O-])c4cnccc34)ccc21 ZINC000302440119 336358798 /nfs/dbraw/zinc/35/87/98/336358798.db2.gz AEZILDXEGBKBJW-UHFFFAOYSA-N 0 0 320.304 4.064 10 5 DIBERN COc1ccc([C@@H]2CCCN2c2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000302870046 336372599 /nfs/dbraw/zinc/37/25/99/336372599.db2.gz XXXYXDHFXUDNGS-HNNXBMFYSA-N 0 0 316.332 4.084 10 5 DIBERN C[C@@H](Nc1cccc(-c2cnco2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000193911436 337080489 /nfs/dbraw/zinc/08/04/89/337080489.db2.gz INIRFFGKFKXGLK-GFCCVEGCSA-N 0 0 309.325 4.423 10 5 DIBERN COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000584598831 337370640 /nfs/dbraw/zinc/37/06/40/337370640.db2.gz JROJCYUHSDVHGQ-AAEUAGOBSA-N 0 0 320.389 4.008 10 5 DIBERN C[P@@](=O)(OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 ZINC000584650206 337380674 /nfs/dbraw/zinc/38/06/74/337380674.db2.gz OQMBQCSOWYPWKG-OAQYLSRUSA-N 0 0 307.242 4.013 10 5 DIBERN CC(C)(C)c1cc(Br)c2cc([N+](=O)[O-])ccc2n1 ZINC000584650677 337380756 /nfs/dbraw/zinc/38/07/56/337380756.db2.gz KZPAYLQHSYDMIV-UHFFFAOYSA-N 0 0 309.163 4.203 10 5 DIBERN Cc1cnc([C@@H](C)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 ZINC000228861315 340608760 /nfs/dbraw/zinc/60/87/60/340608760.db2.gz ACXIRWJCBVYBKK-SSDOTTSWSA-N 0 0 316.144 4.371 10 5 DIBERN CC[C@@H](N[C@H](C)c1cccnc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000161604526 522938444 /nfs/dbraw/zinc/93/84/44/522938444.db2.gz QZNTUOCFICPFDG-IAQYHMDHSA-N 0 0 319.792 4.445 10 5 DIBERN Cc1ccc(CN2CCCC[C@H]2c2nccs2)cc1[N+](=O)[O-] ZINC000127654945 524447462 /nfs/dbraw/zinc/44/74/62/524447462.db2.gz SYJDROMUVHJSRV-AWEZNQCLSA-N 0 0 317.414 4.087 10 5 DIBERN O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCSc2ccccc21 ZINC000149026767 527358224 /nfs/dbraw/zinc/35/82/24/527358224.db2.gz PAUVMHYULQBPBG-LBPRGKRZSA-N 0 0 304.346 4.383 10 5 DIBERN