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/nfs/dbraw/zinc/79/68/74/636796874.db2.gz WJEJDTNGLWGFOV-NSHDSACASA-N -1 1 310.400 2.172 10 0 DEAEMM CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cc(=O)[nH][n-]1 ZINC000898872883 641829393 /nfs/dbraw/zinc/82/93/93/641829393.db2.gz WZTCUAYKKKKRSI-CABZTGNLSA-N -1 1 307.325 2.289 10 0 DEAEMM CC[C@H](Cc1ccccc1C)C(=O)N1CCC[C@H]1c1nn[n-]n1 ZINC000900391694 642352985 /nfs/dbraw/zinc/35/29/85/642352985.db2.gz VGKJIBZITVPYRL-HIFRSBDPSA-N -1 1 313.405 2.441 10 0 DEAEMM CO[C@H]1C[C@H](CNC(=O)c2ccc(Br)cc2[O-])C1 ZINC000714548679 792325391 /nfs/dbraw/zinc/32/53/91/792325391.db2.gz BIQYISLRKAYSHZ-CZMCAQCFSA-N -1 1 314.179 2.310 10 0 DEAEMM O=S(=O)([N-]CC[C@H]1CCCS1)c1ccc(Cl)nc1F ZINC000715994304 792560875 /nfs/dbraw/zinc/56/08/75/792560875.db2.gz RLEXDFGFTOWEAR-MRVPVSSYSA-N -1 1 324.830 2.438 10 0 DEAEMM Cn1cnc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c1Cl ZINC000706950356 1086655844 /nfs/dbraw/zinc/65/58/44/1086655844.db2.gz VBWPNVVRWLSTJP-SNVBAGLBSA-N -1 1 303.815 2.098 10 0 DEAEMM O=S(=O)([N-][C@@H]1CCCC12CC2)c1ccc(Cl)nc1F ZINC000707135012 1086660604 /nfs/dbraw/zinc/66/06/04/1086660604.db2.gz NHTBRPXFSSRCKW-SECBINFHSA-N -1 1 304.774 2.485 10 0 DEAEMM Cc1nc(C)c(C(=O)Nc2ccc(N3CCCC3)cc2)c(=O)[n-]1 ZINC000082335059 185176193 /nfs/dbraw/zinc/17/61/93/185176193.db2.gz QNVPATIFELJDCW-UHFFFAOYSA-N -1 1 312.373 2.239 10 0 DEAEMM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)[C@@H](C)C(N)=S ZINC000088486822 185253145 /nfs/dbraw/zinc/25/31/45/185253145.db2.gz FVTGFURZRGNSIP-ZETCQYMHSA-N -1 1 322.839 2.073 10 0 DEAEMM Cc1ccc2c([O-])c(C(=O)NC3C[C@H](C)O[C@@H](C)C3)cnc2n1 ZINC000092559555 185325823 /nfs/dbraw/zinc/32/58/23/185325823.db2.gz NQWAUKDQSXRVAG-QWRGUYRKSA-N -1 1 315.373 2.330 10 0 DEAEMM Cc1ccc2c(n1)[n-]cc(C(=O)NC1C[C@H](C)O[C@@H](C)C1)c2=O ZINC000092559555 185325824 /nfs/dbraw/zinc/32/58/24/185325824.db2.gz NQWAUKDQSXRVAG-QWRGUYRKSA-N -1 1 315.373 2.330 10 0 DEAEMM COc1ccc(C(=O)Nc2c[nH]nc2-c2ccccn2)c([O-])c1 ZINC000092760909 185338470 /nfs/dbraw/zinc/33/84/70/185338470.db2.gz IWETYHWXDGTCKB-UHFFFAOYSA-N -1 1 310.313 2.438 10 0 DEAEMM O=C([O-])c1ccc(F)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000012970492 539328934 /nfs/dbraw/zinc/32/89/34/539328934.db2.gz NNQPRKKTVBPMHP-UHFFFAOYSA-N -1 1 313.281 2.464 10 0 DEAEMM Cc1cc(N)cc(S(=O)(=O)[N-]c2ccc(CO)cc2)c1C ZINC000138984516 186019569 /nfs/dbraw/zinc/01/95/69/186019569.db2.gz ASRWJKFKRKUQGJ-UHFFFAOYSA-N -1 1 306.387 2.179 10 0 DEAEMM CCCc1c(=O)[nH]c(=O)n(-c2nc3c(s2)CCCC3)c1[O-] ZINC000164078598 186148150 /nfs/dbraw/zinc/14/81/50/186148150.db2.gz OIQMBOQFMQPRLX-MRVPVSSYSA-N -1 1 307.375 2.021 10 0 DEAEMM Cc1nc(C)c([C@@H](C)n2c([O-])c(C(C)C)c(=O)[nH]c2=O)s1 ZINC000164085256 186148380 /nfs/dbraw/zinc/14/83/80/186148380.db2.gz TZNRTHYYRGEBRQ-PSASIEDQSA-N -1 1 309.391 2.172 10 0 DEAEMM Cc1nc(C)c([C@@H](C)n2c(=O)[nH]c([O-])c(C(C)C)c2=O)s1 ZINC000164085256 186148382 /nfs/dbraw/zinc/14/83/82/186148382.db2.gz TZNRTHYYRGEBRQ-PSASIEDQSA-N -1 1 309.391 2.172 10 0 DEAEMM O=C1[N-]C(=O)C2(CCCC2)C(=O)N1Cc1cccc(Cl)c1 ZINC000164200764 186151944 /nfs/dbraw/zinc/15/19/44/186151944.db2.gz VGCKQZVYWUXHCB-UHFFFAOYSA-N -1 1 306.749 2.479 10 0 DEAEMM O=c1[nH]c([O-])c(-c2ccccc2)c(=O)n1Cc1ccsc1 ZINC000164281588 186154505 /nfs/dbraw/zinc/15/45/05/186154505.db2.gz YQNCHDXBOSQIEW-UHFFFAOYSA-N -1 1 300.339 2.019 10 0 DEAEMM O=c1[nH]c(=O)n(-c2ccsc2)c([O-])c1-c1ccccc1F ZINC000164473917 186159377 /nfs/dbraw/zinc/15/93/77/186159377.db2.gz RDFSWHFHDUPLLT-UHFFFAOYSA-N -1 1 304.302 2.099 10 0 DEAEMM O=C(N[C@@H](CO)C1CCC1)c1ccc(Br)c([O-])c1 ZINC000617309622 363085885 /nfs/dbraw/zinc/08/58/85/363085885.db2.gz FYQHAIHVPPRCRG-NSHDSACASA-N -1 1 314.179 2.046 10 0 DEAEMM CC(C)c1cc(=O)[n-]c(NS(=O)(=O)c2ccc(F)cc2)n1 ZINC000072465908 191174613 /nfs/dbraw/zinc/17/46/13/191174613.db2.gz SPLOZXQAJTYWAB-UHFFFAOYSA-N -1 1 311.338 2.246 10 0 DEAEMM Cc1ccccc1[N-]S(=O)(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000074945856 191393953 /nfs/dbraw/zinc/39/39/53/191393953.db2.gz HDGYXGWUMRKVAH-UHFFFAOYSA-N -1 1 304.327 2.230 10 0 DEAEMM Cc1ccc(S(=O)(=O)[N-]c2cccc3[nH]nnc32)cc1C ZINC000074852917 191371956 /nfs/dbraw/zinc/37/19/56/191371956.db2.gz YOAQWJOGFSASEO-UHFFFAOYSA-N -1 1 302.359 2.376 10 0 DEAEMM COC(=O)C(CC(F)(F)F)(CC(F)(F)F)O[P@H](=O)[O-] ZINC000115809555 355771172 /nfs/dbraw/zinc/77/11/72/355771172.db2.gz QNRWWECKRJWPIA-UHFFFAOYSA-N -1 1 318.106 2.202 10 0 DEAEMM CCOC(=O)c1[nH]c(SCC(OCC)OCC)nc1C ZINC000115899646 355771812 /nfs/dbraw/zinc/77/18/12/355771812.db2.gz WEOWOMXKUJAQBB-UHFFFAOYSA-N -1 1 302.396 2.386 10 0 DEAEMM Cc1cc(=O)[n-]c(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1 ZINC000005238085 181220485 /nfs/dbraw/zinc/22/04/85/181220485.db2.gz WAQVBVIXEFITIR-SECBINFHSA-N -1 1 307.350 2.337 10 0 DEAEMM Cc1cc(=O)[n-]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1 ZINC000005238084 181220503 /nfs/dbraw/zinc/22/05/03/181220503.db2.gz WAQVBVIXEFITIR-VIFPVBQESA-N -1 1 307.350 2.337 10 0 DEAEMM [O-]c1ccc(OC(F)(F)F)nc1I ZINC000238721274 356305036 /nfs/dbraw/zinc/30/50/36/356305036.db2.gz JHMQQRUZRNZGDQ-UHFFFAOYSA-N -1 1 304.993 2.290 10 0 DEAEMM COC(=O)[C@@H]1CCCCN1Cc1cc(=O)oc2cc([O-])ccc12 ZINC000193181439 201003772 /nfs/dbraw/zinc/00/37/72/201003772.db2.gz SOBAHVMRWAGVLX-AWEZNQCLSA-N -1 1 317.341 2.026 10 0 DEAEMM C[C@H]1CCN(Cc2ccncc2Br)C[C@@H]1C(=O)[O-] ZINC000629490912 367220490 /nfs/dbraw/zinc/22/04/90/367220490.db2.gz JHDHEVBGKGUFNC-ONGXEEELSA-N -1 1 313.195 2.387 10 0 DEAEMM O=C(CN1CCCC[C@@H]1c1cn[nH]c1)[N-]OCc1ccccc1 ZINC000093193454 193213445 /nfs/dbraw/zinc/21/34/45/193213445.db2.gz KQRWXZSCHPBWON-MRXNPFEDSA-N -1 1 314.389 2.185 10 0 DEAEMM CCCCOc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1OC ZINC000016675812 182057471 /nfs/dbraw/zinc/05/74/71/182057471.db2.gz VOAPFQCXMLOMEP-DHZHZOJOSA-N -1 1 306.387 2.219 10 0 DEAEMM O=S1(=O)CC[C@H]([N-]C(=S)Oc2ccc3ccccc3c2)C1 ZINC000040169285 183043554 /nfs/dbraw/zinc/04/35/54/183043554.db2.gz RVMPYSKGXBUBIB-ZDUSSCGKSA-N -1 1 321.423 2.280 10 0 DEAEMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cccc(Cl)c2)o1 ZINC000041419927 183189915 /nfs/dbraw/zinc/18/99/15/183189915.db2.gz CCCWXOPKIMUDHP-UHFFFAOYSA-N -1 1 315.782 2.325 10 0 DEAEMM Nc1ccc2[n-]c(S(=O)(=O)Cc3cccc(F)c3)nc2c1 ZINC000042192754 183240696 /nfs/dbraw/zinc/24/06/96/183240696.db2.gz KCEHSZCKPDIWSV-UHFFFAOYSA-N -1 1 305.334 2.258 10 0 DEAEMM CCN(CC(=O)Nc1ccc(F)cc1Cl)C[C@@H](C)C(=O)[O-] ZINC000061221343 184166025 /nfs/dbraw/zinc/16/60/25/184166025.db2.gz RVWBKPCPFZXXLB-SECBINFHSA-N -1 1 316.760 2.460 10 0 DEAEMM Cc1cc(=O)[n-]c(Sc2nc(Cl)nc(N3CCCC3)n2)n1 ZINC000061543831 184173986 /nfs/dbraw/zinc/17/39/86/184173986.db2.gz VILVOKKKSHQJGP-UHFFFAOYSA-N -1 1 324.797 2.080 10 0 DEAEMM CCc1c([O-])[nH]c(=O)n([C@H](C)c2ccc(Cl)s2)c1=O ZINC000157109426 197163056 /nfs/dbraw/zinc/16/30/56/197163056.db2.gz PJVVPDISAROWEW-ZCFIWIBFSA-N -1 1 300.767 2.129 10 0 DEAEMM CSC1(CNC(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000193195396 533507664 /nfs/dbraw/zinc/50/76/64/533507664.db2.gz FELXLEIOVLGXDS-UHFFFAOYSA-N -1 1 303.387 2.269 10 0 DEAEMM CSC1(CNC(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000193195396 533507671 /nfs/dbraw/zinc/50/76/71/533507671.db2.gz FELXLEIOVLGXDS-UHFFFAOYSA-N -1 1 303.387 2.269 10 0 DEAEMM COC1=C([O-])C2=C(O)C(=O)C(c3ccc(O)cc3)OC2=CC1=O ZINC000002583586 401715249 /nfs/dbraw/zinc/71/52/49/401715249.db2.gz OGQSUSFDBWGFFJ-UHFFFAOYSA-N -1 1 316.265 2.291 10 0 endogenous,in-man DEAEMM O=c1nc(CN2CC[C@]3(O)CCCC[C@@H]3C2)[n-]c2ccsc21 ZINC000128453202 401777742 /nfs/dbraw/zinc/77/77/42/401777742.db2.gz NXDXUZBVKFGHES-BDJLRTHQSA-N -1 1 319.430 2.112 10 0 DEAEMM O=S(=O)([N-]C1CCC(O)CC1)c1c(F)cccc1Cl ZINC000130942541 401841707 /nfs/dbraw/zinc/84/17/07/401841707.db2.gz MFEDSVDTJVYELQ-UHFFFAOYSA-N -1 1 307.774 2.061 10 0 DEAEMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)o2)c1 ZINC000151513041 402041194 /nfs/dbraw/zinc/04/11/94/402041194.db2.gz MUNTZZFBMGMBAN-VIFPVBQESA-N -1 1 313.331 2.007 10 0 DEAEMM C[C@@H](O)C(C)(C)NC(=O)c1cc(Br)ccc1[O-] ZINC000227839908 402334118 /nfs/dbraw/zinc/33/41/18/402334118.db2.gz ZZGXUAXWYAYGAK-SSDOTTSWSA-N -1 1 302.168 2.044 10 0 DEAEMM COC(=O)c1coc(C(=O)[N-]c2nc3ccc(Cl)cn3n2)c1 ZINC000185242182 402337930 /nfs/dbraw/zinc/33/79/30/402337930.db2.gz SPCIZVGQVCNNTF-UHFFFAOYSA-N -1 1 320.692 2.015 10 0 DEAEMM O=C(N[C@@H]1CCCn2ncnc21)c1cc2ccccc2cc1[O-] ZINC000177571607 402416947 /nfs/dbraw/zinc/41/69/47/402416947.db2.gz KVYYFXJOMFZALG-CQSZACIVSA-N -1 1 308.341 2.402 10 0 DEAEMM C[C@@H]1CN(C(=O)c2cc(Br)ccc2[O-])CCC1=O ZINC000186540860 402440149 /nfs/dbraw/zinc/44/01/49/402440149.db2.gz FJPVWVGRGUFFEX-MRVPVSSYSA-N -1 1 312.163 2.206 10 0 DEAEMM O=C(CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-])NC(C1CC1)C1CC1 ZINC000248533216 402594891 /nfs/dbraw/zinc/59/48/91/402594891.db2.gz IKZVVGFWBZKALK-ZNMIVQPWSA-N -1 1 320.433 2.009 10 0 DEAEMM Cc1cccc(S(=O)(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1F ZINC000181333578 402641827 /nfs/dbraw/zinc/64/18/27/402641827.db2.gz YKKRUUMEOONYBI-QWHCGFSZSA-N -1 1 314.426 2.141 10 0 DEAEMM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnn[n-]1 ZINC000191695488 402686846 /nfs/dbraw/zinc/68/68/46/402686846.db2.gz OAALDOPGSCYPAK-UHFFFAOYSA-N -1 1 313.283 2.426 10 0 DEAEMM CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nn[n-]n1 ZINC000191695488 402686847 /nfs/dbraw/zinc/68/68/47/402686847.db2.gz OAALDOPGSCYPAK-UHFFFAOYSA-N -1 1 313.283 2.426 10 0 DEAEMM O=C(Cc1ccc(Br)s1)[N-]OC[C@H]1CCOC1 ZINC000191795307 402692556 /nfs/dbraw/zinc/69/25/56/402692556.db2.gz SZVXCELPYBPWPL-QMMMGPOBSA-N -1 1 320.208 2.137 10 0 DEAEMM CN(Cc1nnc[nH]1)C(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000174161088 402729416 /nfs/dbraw/zinc/72/94/16/402729416.db2.gz HVTFDLGKIFRTQU-UHFFFAOYSA-N -1 1 301.133 2.089 10 0 DEAEMM Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCc3cccnc32)[nH]n1 ZINC000193268817 402769353 /nfs/dbraw/zinc/76/93/53/402769353.db2.gz VPZGVJMEOFPKFU-GFCCVEGCSA-N -1 1 322.372 2.264 10 0 DEAEMM O=C([C@H]1CCc2ccccc21)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000407997174 405086984 /nfs/dbraw/zinc/08/69/84/405086984.db2.gz MVPQTKRBDVEOCX-OCCSQVGLSA-N -1 1 313.357 2.211 10 0 DEAEMM CCN(C)[C@H](C(=O)N1CCC[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000533188060 406127191 /nfs/dbraw/zinc/12/71/91/406127191.db2.gz 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