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XLHVQPCYNAVDNE-ZRDIBKRKSA-N -1 1 403.456 2.271 20 0 HEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1 ZINC000744572959 1077488377 /nfs/dbraw/zinc/48/83/77/1077488377.db2.gz XIAAWVDSEFCVRV-LBPRGKRZSA-N -1 1 409.435 2.187 20 0 HEADMM CNC(=O)COc1ccc(C(=O)OCCc2cc(C(C)=O)ccc2[O-])cc1OC ZINC000744846159 1077609999 /nfs/dbraw/zinc/60/99/99/1077609999.db2.gz FMZXCYOEJOMXCC-UHFFFAOYSA-N -1 1 401.415 2.128 20 0 HEADMM Cc1cc(NC(=O)COC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n(C(C)(C)C)n1 ZINC000744954430 1077676224 /nfs/dbraw/zinc/67/62/24/1077676224.db2.gz NAQTYSDCTIMMPK-UHFFFAOYSA-N -1 1 414.466 2.036 20 0 HEADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccnc(OCC(F)(F)F)c2)cc1 ZINC000745111074 1077746014 /nfs/dbraw/zinc/74/60/14/1077746014.db2.gz HVEOFYFNFYXFTF-UHFFFAOYSA-N -1 1 412.320 2.145 20 0 HEADMM COc1cc(C=CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc(Br)c1O ZINC000771824875 1079549516 /nfs/dbraw/zinc/54/95/16/1079549516.db2.gz MSCXJAQVSLLUID-WYGGZMRJSA-N -1 1 408.256 2.096 20 0 HEADMM Cc1cccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2F)c1Br ZINC000771904258 1079582940 /nfs/dbraw/zinc/58/29/40/1079582940.db2.gz UWFVAMYFUTTWLZ-UHFFFAOYSA-N -1 1 423.285 2.345 20 0 HEADMM O=C1C[C@H](c2cccc([N-]S(=O)(=O)c3ccc(N4CCOC4=O)cc3)c2)CN1 ZINC000771910480 1079585826 /nfs/dbraw/zinc/58/58/26/1079585826.db2.gz WIBKPQSGRAOGAV-AWEZNQCLSA-N -1 1 401.444 2.048 20 0 HEADMM COC(=O)c1cc(S(=O)(=O)[N-]Cc2cccc(N)c2)c(F)cc1Br ZINC000767049956 1079605913 /nfs/dbraw/zinc/60/59/13/1079605913.db2.gz UBBYPDLRGKROKP-UHFFFAOYSA-N -1 1 417.256 2.436 20 0 HEADMM CCC[C@@H]1CN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CCN1CCOC ZINC000767123144 1079690760 /nfs/dbraw/zinc/69/07/60/1079690760.db2.gz LVIDHYUJYPVRLX-MRXNPFEDSA-N -1 1 418.563 2.035 20 0 HEADMM CN(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000767144990 1079713780 /nfs/dbraw/zinc/71/37/80/1079713780.db2.gz SDONVZKBEOQLFO-UHFFFAOYSA-N -1 1 411.455 2.450 20 0 HEADMM COc1ccc(N2C[C@@H](C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)CC2=O)cc1 ZINC000767161905 1079721795 /nfs/dbraw/zinc/72/17/95/1079721795.db2.gz CYGNKKHXUYLFLY-KBPBESRZSA-N -1 1 407.467 2.009 20 0 HEADMM COc1ccccc1N1C[C@@H](C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)CC1=O ZINC000767180776 1079738266 /nfs/dbraw/zinc/73/82/66/1079738266.db2.gz YITQNUWJGKHQRS-KGLIPLIRSA-N -1 1 407.467 2.009 20 0 HEADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]2(C)CCO[C@H]2C2CC2)c(Br)o1 ZINC000767297705 1079798111 /nfs/dbraw/zinc/79/81/11/1079798111.db2.gz AUFZXPSBCAHPRQ-SWLSCSKDSA-N -1 1 422.297 2.312 20 0 HEADMM O=C([N-]CCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1)C(F)(F)F ZINC000772352157 1079811702 /nfs/dbraw/zinc/81/17/02/1079811702.db2.gz LJOFDQZZHTUTTG-IHRRRGAJSA-N -1 1 400.401 2.226 20 0 HEADMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000772385098 1079856306 /nfs/dbraw/zinc/85/63/06/1079856306.db2.gz QVIHOSZAMDIPDR-UHFFFAOYSA-N -1 1 411.436 2.044 20 0 HEADMM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000772431866 1079873625 /nfs/dbraw/zinc/87/36/25/1079873625.db2.gz BRLWROSBCIZVRL-ZBFHGGJFSA-N -1 1 418.523 2.148 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(=O)[nH]c1=O ZINC000772569645 1079970532 /nfs/dbraw/zinc/97/05/32/1079970532.db2.gz VFNHOBOKXHEAEG-UHFFFAOYSA-N -1 1 413.427 2.167 20 0 HEADMM Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)c3c(Cl)ccnc3Cl)C2)n(C)n1 ZINC000767601434 1079999454 /nfs/dbraw/zinc/99/94/54/1079999454.db2.gz RHNOTRHPJGGLRY-NSHDSACASA-N -1 1 404.323 2.378 20 0 HEADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](CNC(=O)OC(C)(C)C)C2CCCC2)o1 ZINC000767605943 1080002278 /nfs/dbraw/zinc/00/22/78/1080002278.db2.gz PNWQNXDOUPUFTN-CYBMUJFWSA-N -1 1 416.496 2.428 20 0 HEADMM Cc1ccc(C(=O)O[C@@H]2CCCNC2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000785491811 1080016823 /nfs/dbraw/zinc/01/68/23/1080016823.db2.gz ZAWOQHBUAPZIBR-MRXNPFEDSA-N -1 1 406.435 2.370 20 0 HEADMM CCOC(=O)c1n[n-]c(C2CCN(S(=O)(=O)C=Cc3ccc(F)cc3)CC2)n1 ZINC000767662621 1080025684 /nfs/dbraw/zinc/02/56/84/1080025684.db2.gz JLBSAYIAZUNUDV-FMIVXFBMSA-N -1 1 408.455 2.301 20 0 HEADMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)OCc2nnnn2C2CC2)cc1 ZINC000785507738 1080027319 /nfs/dbraw/zinc/02/73/19/1080027319.db2.gz HOOOVOMTMWFYTO-UHFFFAOYSA-N -1 1 413.459 2.474 20 0 HEADMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)OCc3nnnn3C)c2)c1 ZINC000785511462 1080028247 /nfs/dbraw/zinc/02/82/47/1080028247.db2.gz KFIWEYMCDPKCHH-UHFFFAOYSA-N -1 1 421.866 2.330 20 0 HEADMM Cc1c(Br)c(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)nn1C ZINC001129378971 1080212594 /nfs/dbraw/zinc/21/25/94/1080212594.db2.gz FNMPUPCXVHEDKV-SECBINFHSA-N -1 1 411.222 2.022 20 0 HEADMM CC(=O)c1ccc([O-])c(CCOC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)c1 ZINC000785715847 1080224419 /nfs/dbraw/zinc/22/44/19/1080224419.db2.gz ILNFGRYQIRLNJY-MOPGFXCFSA-N -1 1 401.459 2.122 20 0 HEADMM CC(C)(C)OC(=O)N[C@](C)(C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccccc1 ZINC000768097417 1080324575 /nfs/dbraw/zinc/32/45/75/1080324575.db2.gz JCTKDCDNIRVAGA-XOBRGWDASA-N -1 1 400.483 2.346 20 0 HEADMM O=C(Nc1ccc(F)cc1[O-])C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000768259206 1080447025 /nfs/dbraw/zinc/44/70/25/1080447025.db2.gz REUYBNYIHNZEOE-UHFFFAOYSA-N -1 1 403.435 2.331 20 0 HEADMM CCS(=O)(=O)CCn1cc(C)c(NC(=O)c2cc(Br)ccc2[O-])n1 ZINC000786248583 1080487759 /nfs/dbraw/zinc/48/77/59/1080487759.db2.gz DXGIORLGDREIIX-UHFFFAOYSA-N -1 1 416.297 2.347 20 0 HEADMM Nn1c(SCC(=O)[N-]OCc2ccccc2)nnc1-c1cc(-c2ccccc2)[nH]n1 ZINC000768438468 1080559640 /nfs/dbraw/zinc/55/96/40/1080559640.db2.gz YSAPCDXPSDVGPB-UHFFFAOYSA-N -1 1 421.486 2.389 20 0 HEADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2c(C)cccc2C=O)c(OC)c1 ZINC000768539303 1080617886 /nfs/dbraw/zinc/61/78/86/1080617886.db2.gz ICBPCYOFEATFJA-UHFFFAOYSA-N -1 1 413.473 2.345 20 0 HEADMM C[C@@H](O)C[C@H]1COCCN1C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000768550473 1080623768 /nfs/dbraw/zinc/62/37/68/1080623768.db2.gz DMEGFGNJCGCOTQ-PWSUYJOCSA-N -1 1 406.357 2.115 20 0 HEADMM CS(=O)(=O)CCc1ccc([N-]S(=O)(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000746599265 1080741712 /nfs/dbraw/zinc/74/17/12/1080741712.db2.gz UHQNULGRRFDKCO-UHFFFAOYSA-N -1 1 424.500 2.031 20 0 HEADMM Cn1cnc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)ccc2Cl)n1 ZINC000768808636 1080786662 /nfs/dbraw/zinc/78/66/62/1080786662.db2.gz ZHTBWUYUGQHILD-UHFFFAOYSA-N -1 1 423.857 2.338 20 0 HEADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOC[C@@H]3CCO)ccc2C)cc1 ZINC000769044387 1080893277 /nfs/dbraw/zinc/89/32/77/1080893277.db2.gz GVIGUZRTBWKUBQ-IBGZPJMESA-N -1 1 418.515 2.328 20 0 HEADMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N3CCOC[C@H]3CCO)c2)cc1 ZINC000769051311 1080913287 /nfs/dbraw/zinc/91/32/87/1080913287.db2.gz VLUGPDJTWYJJEC-GOSISDBHSA-N -1 1 404.488 2.019 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@H]2COc3ccccc3C2)c(=O)[nH]c1=O ZINC000769629263 1081146331 /nfs/dbraw/zinc/14/63/31/1081146331.db2.gz VIMRVESHJXPILT-HNNXBMFYSA-N -1 1 421.519 2.059 20 0 HEADMM C[C@@H]1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)[C@@H](C)CN1C ZINC000443499368 719233870 /nfs/dbraw/zinc/23/38/70/719233870.db2.gz JZXLOTAJSWFNNZ-CVEARBPZSA-N -1 1 411.531 2.959 20 0 HEADMM COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])C2CC2)cc1 ZINC000532602031 939263842 /nfs/dbraw/zinc/26/38/42/939263842.db2.gz JKOXSYZPGZWJID-QGZVFWFLSA-N -1 1 404.444 2.089 20 0 HEADMM COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1 ZINC000539606386 939286385 /nfs/dbraw/zinc/28/63/85/939286385.db2.gz YCUNVDRDDKZMBX-HXUWFJFHSA-N -1 1 418.471 2.479 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](SC)C2)c(=O)[nH]c1=O ZINC000769652842 1078487988 /nfs/dbraw/zinc/48/79/88/1078487988.db2.gz MFHYGQOERFOLOG-KBPBESRZSA-N -1 1 403.570 2.482 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](OCC)C23CCC3)c(=O)[nH]c1=O ZINC000769657708 1078494319 /nfs/dbraw/zinc/49/43/19/1078494319.db2.gz PWZHQWKQLCPRCW-HZPDHXFCSA-N -1 1 413.540 2.155 20 0 HEADMM C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000769658281 1078494413 /nfs/dbraw/zinc/49/44/13/1078494413.db2.gz YPITUIRXTMNPIB-QGZVFWFLSA-N -1 1 412.812 2.325 20 0 HEADMM CN(Cc1nnc2n1CCC2)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769657514 1078495378 /nfs/dbraw/zinc/49/53/78/1078495378.db2.gz NDCWNYAVVGZMHN-UHFFFAOYSA-N -1 1 413.356 2.313 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](C)C[C@H](O)c2ccccc2)c(=O)[nH]c1=O ZINC000769662799 1078502229 /nfs/dbraw/zinc/50/22/29/1078502229.db2.gz BBQRRJHVTHAGPS-RDJZCZTQSA-N -1 1 423.535 2.320 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2ccnc(OC(C)C)c2)c(=O)[nH]c1=O ZINC000769666475 1078505124 /nfs/dbraw/zinc/50/51/24/1078505124.db2.gz JTUSQTVDNJKKMR-UHFFFAOYSA-N -1 1 424.523 2.190 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-]Cc2cc(C)cc(OC)c2)c(=O)[nH]c1=O ZINC000769665818 1078505733 /nfs/dbraw/zinc/50/57/33/1078505733.db2.gz BBWDRPHBRQDZJK-UHFFFAOYSA-N -1 1 409.508 2.325 20 0 HEADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)cc1 ZINC000769670853 1078511235 /nfs/dbraw/zinc/51/12/35/1078511235.db2.gz GCDSLWWCRSGUTQ-UHFFFAOYSA-N -1 1 403.229 2.500 20 0 HEADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ncc(Br)cc2F)c1 ZINC000769672272 1078512139 /nfs/dbraw/zinc/51/21/39/1078512139.db2.gz PGDALEKCFSFFEJ-UHFFFAOYSA-N -1 1 402.245 2.486 20 0 HEADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)(C)C)C2)c(=O)[nH]c1=O ZINC000769672802 1078513976 /nfs/dbraw/zinc/51/39/76/1078513976.db2.gz UHCOEVFUKYUVMT-ZBFHGGJFSA-N -1 1 415.556 2.401 20 0 HEADMM CCOC(=O)C1=C(COC(=O)c2c([O-])cc(F)cc2F)NC(=O)N[C@H]1c1ccco1 ZINC000745523283 1078521889 /nfs/dbraw/zinc/52/18/89/1078521889.db2.gz ZBPQPORUNRZQFP-INIZCTEOSA-N -1 1 422.340 2.292 20 0 HEADMM NC(=O)CN(C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-])C1CCCC1 ZINC000769710871 1078531716 /nfs/dbraw/zinc/53/17/16/1078531716.db2.gz QERYHVFPJPZGQE-UHFFFAOYSA-N -1 1 403.357 2.373 20 0 HEADMM COC(=O)N1CCC[C@H](NC(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2[O-])C1 ZINC000769752865 1078540410 /nfs/dbraw/zinc/54/04/10/1078540410.db2.gz MFZASELJKJDZAZ-NSHDSACASA-N -1 1 419.356 2.464 20 0 HEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CN(C(=O)OC(C)(C)C)C3CC3)CC2)n1 ZINC000769768278 1078546906 /nfs/dbraw/zinc/54/69/06/1078546906.db2.gz FYVDHAWSGGTCCO-UHFFFAOYSA-N -1 1 421.498 2.087 20 0 HEADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)n1 ZINC000769787035 1078565828 /nfs/dbraw/zinc/56/58/28/1078565828.db2.gz OEIYCHKCBACMQJ-OLZOCXBDSA-N -1 1 423.514 2.237 20 0 HEADMM COC(=O)/C=C\c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)nc2C)cc1 ZINC000769854936 1078577909 /nfs/dbraw/zinc/57/79/09/1078577909.db2.gz VJCCSQVVOAWXNN-YHYXMXQVSA-N -1 1 417.487 2.214 20 0 HEADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NNc2c(F)cccc2Cl)c(F)c1 ZINC000769892852 1078614796 /nfs/dbraw/zinc/61/47/96/1078614796.db2.gz PNXIQQNNKQAQOJ-UHFFFAOYSA-N -1 1 411.839 2.295 20 0 HEADMM CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1[O-] ZINC000769910501 1078630496 /nfs/dbraw/zinc/63/04/96/1078630496.db2.gz MMJOYUNXVALRCV-JTQLQIEISA-N -1 1 424.397 2.010 20 0 HEADMM O=C(Nc1ccc([O-])c(C(=O)NCC2CCS(=O)(=O)CC2)c1)OCC(F)(F)F ZINC000770121035 1078739291 /nfs/dbraw/zinc/73/92/91/1078739291.db2.gz GSNOVVBWFNZMNK-UHFFFAOYSA-N -1 1 424.397 2.058 20 0 HEADMM 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